Mercurial > repos > jjohnson > opencontact

annotate test-data/coarsedata.txt @ 0:d163dd7e68b5 draft

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planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
author jjohnson
date Thu, 16 May 2019 11:27:07 -0400
parents
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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0
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
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1 TRP 628 N 372 LEU 568 O 228 0.989E+00 0.187E+00 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
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2 TRP 628 N 372 TRP 571 CA 252 0.102E+01 0.641E-02 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
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3 TRP 628 N 372 TRP 571 C 253 0.940E+00 -0.211E+00 -0.153E-02
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4 TRP 628 N 372 TRP 571 O 254 0.917E+00 0.186E+00 -0.185E-02
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5 TRP 628 N 372 TRP 571 CB 255 0.936E+00 0.357E-01 -0.178E-02
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6 TRP 628 N 372 TRP 571 CG 256 0.817E+00 0.455E-01 -0.356E-02
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7 TRP 628 N 372 TRP 571 CD1 257 0.856E+00 0.731E-01 -0.269E-02
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8 TRP 628 N 372 TRP 571 CD2 258 0.683E+00 -0.570E-01 -0.103E-01
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9 TRP 628 N 372 TRP 571 NE1 259 0.758E+00 0.155E+00 -0.683E-02
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10 TRP 628 N 372 TRP 571 CE2 260 0.643E+00 -0.101E+00 -0.147E-01
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11 TRP 628 N 372 TRP 571 CE3 261 0.610E+00 0.123E+00 -0.201E-01
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12 TRP 628 N 372 TRP 571 CZ2 262 0.520E+00 0.240E+00 -0.499E-01
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13 TRP 628 N 372 TRP 571 CZ3 263 0.479E+00 0.226E+00 -0.779E-01
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14 TRP 628 N 372 TRP 571 CH2 264 0.423E+00 0.250E+00 -0.142E+00
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15 TRP 628 N 372 TRP 571 HE1 266 0.778E+00 -0.160E+00 -0.154E-03
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16 TRP 628 N 372 GLY 572 N 267 0.929E+00 0.138E+00 -0.202E-02
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17 TRP 628 N 372 GLY 572 CA 268 0.883E+00 0.515E-01 -0.253E-02
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18 TRP 628 N 372 GLY 572 C 269 0.982E+00 -0.196E+00 -0.118E-02
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19 TRP 628 N 372 GLY 572 O 270 0.960E+00 0.178E+00 -0.141E-02
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20 TRP 628 N 372 GLN 575 N 294 0.103E+01 0.122E+00 -0.109E-02
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21 TRP 628 N 372 GLN 575 CA 295 0.946E+00 -0.132E-01 -0.167E-02
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22 TRP 628 N 372 GLN 575 C 296 0.100E+01 -0.138E+00 -0.105E-02
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23 TRP 628 N 372 GLN 575 O 297 0.104E+01 0.175E+00 -0.858E-03
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24 TRP 628 N 372 GLN 575 CB 298 0.803E+00 0.150E-01 -0.444E-02
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25 TRP 628 N 372 GLN 575 CG 299 0.730E+00 0.111E-01 -0.784E-02
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26 TRP 628 N 372 GLN 575 CD 300 0.738E+00 -0.365E+00 -0.652E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
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27 TRP 628 N 372 GLN 575 OE1 301 0.704E+00 0.375E+00 -0.897E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
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28 TRP 628 N 372 GLN 575 NE2 302 0.814E+00 0.404E+00 -0.445E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
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29 TRP 628 N 372 LEU 576 N 306 0.103E+01 0.112E+00 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
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30 TRP 628 N 372 LEU 576 CG 311 0.102E+01 -0.612E-01 -0.105E-02
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31 TRP 628 N 372 LEU 576 CD2 313 0.954E+00 0.434E-01 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
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32 TRP 628 N 372 ARG 579 CD 339 0.104E+01 -0.391E-01 -0.940E-03
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33 TRP 628 N 372 ARG 579 NE 340 0.945E+00 -0.167E+00 -0.182E-02
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34 TRP 628 N 372 ARG 579 CZ 341 0.814E+00 -0.259E+00 -0.363E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
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35 TRP 628 N 372 ARG 579 NH1 342 0.767E+00 0.349E+00 -0.637E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
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36 TRP 628 N 372 ARG 579 NH2 343 0.740E+00 0.373E+00 -0.788E-02
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37 TRP 628 N 372 ARG 579 HE 345 0.988E+00 -0.402E-01 -0.366E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
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38 TRP 628 CA 373 LEU 568 CA 226 0.104E+01 0.146E-02 -0.843E-03
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39 TRP 628 CA 373 LEU 568 C 227 0.102E+01 -0.856E-02 -0.865E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
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40 TRP 628 CA 373 LEU 568 O 228 0.933E+00 0.953E-02 -0.154E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
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41 TRP 628 CA 373 LEU 568 CB 229 0.102E+01 0.216E-02 -0.998E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
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42 TRP 628 CA 373 LEU 568 CD2 232 0.102E+01 0.184E-02 -0.973E-03
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43 TRP 628 CA 373 TRP 571 CA 252 0.101E+01 0.305E-03 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
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44 TRP 628 CA 373 TRP 571 C 253 0.920E+00 -0.102E-01 -0.160E-02
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45 TRP 628 CA 373 TRP 571 O 254 0.908E+00 0.882E-02 -0.181E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
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46 TRP 628 CA 373 TRP 571 CB 255 0.929E+00 0.169E-02 -0.170E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
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47 TRP 628 CA 373 TRP 571 CG 256 0.828E+00 0.208E-02 -0.301E-02
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48 TRP 628 CA 373 TRP 571 CD1 257 0.889E+00 0.321E-02 -0.197E-02
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49 TRP 628 CA 373 TRP 571 CD2 258 0.692E+00 -0.260E-02 -0.875E-02
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50 TRP 628 CA 373 TRP 571 NE1 259 0.806E+00 0.648E-02 -0.435E-02
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51 TRP 628 CA 373 TRP 571 CE2 260 0.681E+00 -0.422E-02 -0.960E-02
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52 TRP 628 CA 373 TRP 571 CE3 261 0.594E+00 0.607E-02 -0.214E-01
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53 TRP 628 CA 373 TRP 571 CZ2 262 0.573E+00 0.900E-02 -0.263E-01
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54 TRP 628 CA 373 TRP 571 CZ3 263 0.467E+00 0.113E-01 -0.801E-01
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55 TRP 628 CA 373 TRP 571 CH2 264 0.453E+00 0.982E-02 -0.921E-01
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56 TRP 628 CA 373 TRP 571 HE1 266 0.842E+00 -0.650E-02 -0.940E-04
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57 TRP 628 CA 373 GLY 572 N 267 0.888E+00 0.690E-02 -0.243E-02
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58 TRP 628 CA 373 GLY 572 CA 268 0.830E+00 0.266E-02 -0.333E-02
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59 TRP 628 CA 373 GLY 572 C 269 0.935E+00 -0.990E-02 -0.146E-02
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60 TRP 628 CA 373 GLY 572 O 270 0.919E+00 0.890E-02 -0.169E-02
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61 TRP 628 CA 373 GLN 575 N 294 0.104E+01 0.565E-02 -0.967E-03
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62 TRP 628 CA 373 GLN 575 CA 295 0.961E+00 -0.604E-03 -0.139E-02
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63 TRP 628 CA 373 GLN 575 C 296 0.101E+01 -0.637E-02 -0.930E-03
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64 TRP 628 CA 373 GLN 575 CB 298 0.813E+00 0.685E-03 -0.377E-02
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65 TRP 628 CA 373 GLN 575 CG 299 0.756E+00 0.488E-03 -0.583E-02
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66 TRP 628 CA 373 GLN 575 CD 300 0.791E+00 -0.150E-01 -0.395E-02
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67 TRP 628 CA 373 GLN 575 OE1 301 0.768E+00 0.149E-01 -0.493E-02
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68 TRP 628 CA 373 GLN 575 NE2 302 0.876E+00 0.167E-01 -0.264E-02
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69 TRP 628 CA 373 LEU 576 N 306 0.102E+01 0.531E-02 -0.107E-02
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70 TRP 628 CA 373 LEU 576 CG 311 0.969E+00 -0.309E-02 -0.132E-02
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71 TRP 628 CA 373 LEU 576 CD1 312 0.103E+01 0.182E-02 -0.938E-03
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72 TRP 628 CA 373 LEU 576 CD2 313 0.906E+00 0.220E-02 -0.198E-02
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73 TRP 628 CA 373 ARG 579 NE 340 0.996E+00 -0.719E-02 -0.122E-02
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74 TRP 628 CA 373 ARG 579 CZ 341 0.866E+00 -0.109E-01 -0.230E-02
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75 TRP 628 CA 373 ARG 579 NH1 342 0.800E+00 0.151E-01 -0.452E-02
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76 TRP 628 CA 373 ARG 579 NH2 343 0.811E+00 0.148E-01 -0.420E-02
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77 TRP 628 CA 373 ARG 579 HE 345 0.105E+01 -0.172E-02 -0.251E-04
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78 TRP 628 C 374 LEU 568 O 228 0.982E+00 -0.257E+00 -0.101E-02
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79 TRP 628 C 374 LEU 568 CB 229 0.102E+01 -0.630E-01 -0.874E-03
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80 TRP 628 C 374 LEU 568 CD1 231 0.103E+01 -0.525E-01 -0.791E-03
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81 TRP 628 C 374 LEU 568 CD2 232 0.102E+01 -0.538E-01 -0.872E-03
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82 TRP 628 C 374 TRP 571 C 253 0.102E+01 0.255E+00 -0.767E-03
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83 TRP 628 C 374 TRP 571 O 254 0.102E+01 -0.215E+00 -0.792E-03
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84 TRP 628 C 374 TRP 571 CB 255 0.101E+01 -0.433E-01 -0.914E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
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85 TRP 628 C 374 TRP 571 CG 256 0.920E+00 -0.509E-01 -0.141E-02
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86 TRP 628 C 374 TRP 571 CD1 257 0.987E+00 -0.797E-01 -0.934E-03
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87 TRP 628 C 374 TRP 571 CD2 258 0.791E+00 0.591E-01 -0.351E-02
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88 TRP 628 C 374 TRP 571 NE1 259 0.912E+00 -0.154E+00 -0.184E-02
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89 TRP 628 C 374 TRP 571 CE2 260 0.790E+00 0.934E-01 -0.352E-02
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90 TRP 628 C 374 TRP 571 CE3 261 0.690E+00 -0.130E+00 -0.787E-02
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91 TRP 628 C 374 TRP 571 CZ2 262 0.693E+00 -0.177E+00 -0.768E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
92 TRP 628 C 374 TRP 571 CZ3 263 0.577E+00 -0.201E+00 -0.225E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
93 TRP 628 C 374 TRP 571 CH2 264 0.578E+00 -0.162E+00 -0.221E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
94 TRP 628 C 374 TRP 571 HE1 266 0.951E+00 0.156E+00 -0.403E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
95 TRP 628 C 374 GLY 572 N 267 0.978E+00 -0.174E+00 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
96 TRP 628 C 374 GLY 572 CA 268 0.924E+00 -0.653E-01 -0.156E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
97 TRP 628 C 374 GLY 572 C 269 0.104E+01 0.247E+00 -0.689E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
98 TRP 628 C 374 GLY 572 O 270 0.103E+01 -0.218E+00 -0.741E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
99 TRP 628 C 374 GLN 575 CB 298 0.955E+00 -0.154E-01 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
100 TRP 628 C 374 GLN 575 CG 299 0.896E+00 -0.106E-01 -0.187E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
101 TRP 628 C 374 GLN 575 CD 300 0.936E+00 0.331E+00 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
102 TRP 628 C 374 GLN 575 OE1 301 0.919E+00 -0.321E+00 -0.150E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
103 TRP 628 C 374 GLN 575 NE2 302 0.102E+01 -0.387E+00 -0.963E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
104 TRP 628 C 374 LEU 576 CD2 313 0.102E+01 -0.534E-01 -0.843E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
105 TRP 628 C 374 ARG 579 CZ 341 0.102E+01 0.249E+00 -0.788E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
106 TRP 628 C 374 ARG 579 NH1 342 0.945E+00 -0.335E+00 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
107 TRP 628 C 374 ARG 579 NH2 343 0.960E+00 -0.327E+00 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
108 TRP 628 O 375 LEU 568 CA 226 0.101E+01 0.380E-01 -0.972E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
109 TRP 628 O 375 LEU 568 C 227 0.993E+00 -0.220E+00 -0.942E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
110 TRP 628 O 375 LEU 568 O 228 0.929E+00 0.237E+00 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
111 TRP 628 O 375 LEU 568 CB 229 0.946E+00 0.596E-01 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
112 TRP 628 O 375 LEU 568 CG 230 0.991E+00 -0.740E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
113 TRP 628 O 375 LEU 568 CD1 231 0.955E+00 0.501E-01 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
114 TRP 628 O 375 LEU 568 CD2 232 0.964E+00 0.495E-01 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
115 TRP 628 O 375 TRP 571 C 253 0.101E+01 -0.220E+00 -0.867E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
116 TRP 628 O 375 TRP 571 O 254 0.102E+01 0.182E+00 -0.803E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
117 TRP 628 O 375 TRP 571 CB 255 0.997E+00 0.375E-01 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
118 TRP 628 O 375 TRP 571 CG 256 0.924E+00 0.429E-01 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
119 TRP 628 O 375 TRP 571 CD1 257 0.100E+01 0.659E-01 -0.884E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
120 TRP 628 O 375 TRP 571 CD2 258 0.799E+00 -0.492E-01 -0.345E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
121 TRP 628 O 375 TRP 571 NE1 259 0.943E+00 0.124E+00 -0.156E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
122 TRP 628 O 375 TRP 571 CE2 260 0.820E+00 -0.743E-01 -0.297E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
123 TRP 628 O 375 TRP 571 CE3 261 0.689E+00 0.111E+00 -0.836E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
124 TRP 628 O 375 TRP 571 CZ2 262 0.738E+00 0.133E+00 -0.553E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
125 TRP 628 O 375 TRP 571 CZ3 263 0.590E+00 0.162E+00 -0.208E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
126 TRP 628 O 375 TRP 571 CH2 264 0.620E+00 0.119E+00 -0.156E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
127 TRP 628 O 375 TRP 571 HE1 266 0.992E+00 -0.124E+00 -0.262E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
128 TRP 628 O 375 GLY 572 N 267 0.951E+00 0.153E+00 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
129 TRP 628 O 375 GLY 572 CA 268 0.898E+00 0.580E-01 -0.194E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
130 TRP 628 O 375 GLY 572 C 269 0.102E+01 -0.216E+00 -0.812E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
131 TRP 628 O 375 GLY 572 O 270 0.102E+01 0.187E+00 -0.795E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
132 TRP 628 O 375 GLN 575 CB 298 0.986E+00 0.124E-01 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
133 TRP 628 O 375 GLN 575 CG 299 0.932E+00 0.846E-02 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
134 TRP 628 O 375 GLN 575 CD 300 0.990E+00 -0.258E+00 -0.960E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
135 TRP 628 O 375 GLN 575 OE1 301 0.984E+00 0.245E+00 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
136 TRP 628 O 375 LEU 576 CD2 313 0.103E+01 0.447E-01 -0.841E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
137 TRP 628 O 375 ARG 579 NH1 342 0.102E+01 0.255E+00 -0.995E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
138 TRP 628 O 375 ARG 579 NH2 343 0.105E+01 0.245E+00 -0.838E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
139 TRP 628 CB 376 LEU 568 O 228 0.990E+00 0.427E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
140 TRP 628 CB 376 TRP 571 C 253 0.950E+00 -0.475E-01 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
141 TRP 628 CB 376 TRP 571 O 254 0.927E+00 0.418E-01 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
142 TRP 628 CB 376 TRP 571 CB 255 0.997E+00 0.742E-02 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
143 TRP 628 CB 376 TRP 571 CG 256 0.898E+00 0.889E-02 -0.185E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
144 TRP 628 CB 376 TRP 571 CD1 257 0.963E+00 0.139E-01 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
145 TRP 628 CB 376 TRP 571 CD2 258 0.758E+00 -0.107E-01 -0.507E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
146 TRP 628 CB 376 TRP 571 NE1 259 0.880E+00 0.274E-01 -0.257E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
147 TRP 628 CB 376 TRP 571 CE2 260 0.751E+00 -0.172E-01 -0.537E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
148 TRP 628 CB 376 TRP 571 CE3 261 0.652E+00 0.245E-01 -0.124E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
149 TRP 628 CB 376 TRP 571 CZ2 262 0.639E+00 0.350E-01 -0.140E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
150 TRP 628 CB 376 TRP 571 CZ3 263 0.518E+00 0.430E-01 -0.461E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
151 TRP 628 CB 376 TRP 571 CH2 264 0.511E+00 0.361E-01 -0.500E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
152 TRP 628 CB 376 TRP 571 HE1 266 0.917E+00 -0.277E-01 -0.562E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
153 TRP 628 CB 376 GLY 572 N 267 0.912E+00 0.324E-01 -0.207E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
154 TRP 628 CB 376 GLY 572 CA 268 0.832E+00 0.130E-01 -0.328E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
155 TRP 628 CB 376 GLY 572 C 269 0.918E+00 -0.499E-01 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
156 TRP 628 CB 376 GLY 572 O 270 0.886E+00 0.462E-01 -0.209E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
157 TRP 628 CB 376 ILE 573 N 272 0.105E+01 0.318E-01 -0.905E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
158 TRP 628 CB 376 GLN 575 N 294 0.102E+01 0.284E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
159 TRP 628 CB 376 GLN 575 CA 295 0.932E+00 -0.310E-02 -0.167E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
160 TRP 628 CB 376 GLN 575 C 296 0.956E+00 -0.338E-01 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
161 TRP 628 CB 376 GLN 575 O 297 0.997E+00 0.428E-01 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
162 TRP 628 CB 376 GLN 575 CB 298 0.787E+00 0.355E-02 -0.458E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
163 TRP 628 CB 376 GLN 575 CG 299 0.757E+00 0.239E-02 -0.580E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
164 TRP 628 CB 376 GLN 575 CD 300 0.795E+00 -0.729E-01 -0.383E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
165 TRP 628 CB 376 GLN 575 OE1 301 0.759E+00 0.744E-01 -0.528E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
166 TRP 628 CB 376 GLN 575 NE2 302 0.897E+00 0.787E-01 -0.230E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
167 TRP 628 CB 376 LEU 576 N 306 0.960E+00 0.284E-01 -0.152E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
168 TRP 628 CB 376 LEU 576 CA 307 0.101E+01 0.749E-02 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
169 TRP 628 CB 376 LEU 576 CB 310 0.101E+01 0.106E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
170 TRP 628 CB 376 LEU 576 CG 311 0.886E+00 -0.174E-01 -0.226E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
171 TRP 628 CB 376 LEU 576 CD1 312 0.941E+00 0.102E-01 -0.157E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
172 TRP 628 CB 376 LEU 576 CD2 313 0.806E+00 0.131E-01 -0.398E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
173 TRP 628 CB 376 ARG 579 CD 339 0.983E+00 -0.974E-02 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
174 TRP 628 CB 376 ARG 579 NE 340 0.917E+00 -0.400E-01 -0.201E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
175 TRP 628 CB 376 ARG 579 CZ 341 0.787E+00 -0.629E-01 -0.407E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
176 TRP 628 CB 376 ARG 579 NH1 342 0.705E+00 0.935E-01 -0.964E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
177 TRP 628 CB 376 ARG 579 NH2 343 0.749E+00 0.833E-01 -0.671E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
178 TRP 628 CB 376 ARG 579 HE 345 0.980E+00 -0.932E-02 -0.378E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
179 TRP 628 CG 377 LEU 568 C 227 0.102E+01 -0.428E-01 -0.767E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
180 TRP 628 CG 377 LEU 568 O 228 0.917E+00 0.490E-01 -0.152E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
181 TRP 628 CG 377 THR 569 O 237 0.104E+01 0.402E-01 -0.718E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
182 TRP 628 CG 377 TRP 571 N 251 0.105E+01 0.307E-01 -0.798E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
183 TRP 628 CG 377 TRP 571 CA 252 0.949E+00 0.166E-02 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
184 TRP 628 CG 377 TRP 571 C 253 0.836E+00 -0.597E-01 -0.252E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
185 TRP 628 CG 377 TRP 571 O 254 0.802E+00 0.543E-01 -0.338E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
186 TRP 628 CG 377 TRP 571 CB 255 0.908E+00 0.874E-02 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
187 TRP 628 CG 377 TRP 571 CG 256 0.809E+00 0.108E-01 -0.305E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
188 TRP 628 CG 377 TRP 571 CD1 257 0.876E+00 0.164E-01 -0.190E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
189 TRP 628 CG 377 TRP 571 CD2 258 0.670E+00 -0.138E-01 -0.938E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
190 TRP 628 CG 377 TRP 571 NE1 259 0.796E+00 0.332E-01 -0.416E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
191 TRP 628 CG 377 TRP 571 CE2 260 0.665E+00 -0.221E-01 -0.976E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
192 TRP 628 CG 377 TRP 571 CE3 261 0.563E+00 0.342E-01 -0.258E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
193 TRP 628 CG 377 TRP 571 CZ2 262 0.558E+00 0.478E-01 -0.273E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
194 TRP 628 CG 377 TRP 571 CZ3 263 0.429E+00 0.694E-01 -0.104E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
195 TRP 628 CG 377 TRP 571 CH2 264 0.426E+00 0.574E-01 -0.107E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
196 TRP 628 CG 377 TRP 571 HE1 266 0.836E+00 -0.329E-01 -0.867E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
197 TRP 628 CG 377 GLY 572 N 267 0.802E+00 0.410E-01 -0.397E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
198 TRP 628 CG 377 GLY 572 CA 268 0.714E+00 0.175E-01 -0.724E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
199 TRP 628 CG 377 GLY 572 C 269 0.788E+00 -0.658E-01 -0.359E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
200 TRP 628 CG 377 GLY 572 O 270 0.746E+00 0.635E-01 -0.519E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
201 TRP 628 CG 377 ILE 573 N 272 0.919E+00 0.394E-01 -0.175E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
202 TRP 628 CG 377 ILE 573 CA 273 0.102E+01 0.762E-02 -0.864E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
203 TRP 628 CG 377 ILE 573 C 274 0.103E+01 -0.416E-01 -0.701E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
204 TRP 628 CG 377 LYS 574 C 283 0.100E+01 -0.556E-01 -0.853E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
205 TRP 628 CG 377 GLN 575 N 294 0.872E+00 0.368E-01 -0.240E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
206 TRP 628 CG 377 GLN 575 CA 295 0.783E+00 -0.423E-02 -0.418E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
207 TRP 628 CG 377 GLN 575 C 296 0.804E+00 -0.458E-01 -0.318E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
208 TRP 628 CG 377 GLN 575 O 297 0.846E+00 0.565E-01 -0.245E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
209 TRP 628 CG 377 GLN 575 CB 298 0.640E+00 0.539E-02 -0.138E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
210 TRP 628 CG 377 GLN 575 CG 299 0.622E+00 0.358E-02 -0.164E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
211 TRP 628 CG 377 GLN 575 CD 300 0.668E+00 -0.103E+00 -0.950E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
212 TRP 628 CG 377 GLN 575 OE1 301 0.635E+00 0.107E+00 -0.135E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
213 TRP 628 CG 377 GLN 575 NE2 302 0.778E+00 0.102E+00 -0.475E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
214 TRP 628 CG 377 LEU 576 N 306 0.808E+00 0.384E-01 -0.379E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
215 TRP 628 CG 377 LEU 576 CA 307 0.861E+00 0.981E-02 -0.238E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
216 TRP 628 CG 377 LEU 576 C 308 0.101E+01 -0.436E-01 -0.828E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
217 TRP 628 CG 377 LEU 576 CB 310 0.868E+00 0.138E-01 -0.226E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
218 TRP 628 CG 377 LEU 576 CG 311 0.747E+00 -0.240E-01 -0.556E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
219 TRP 628 CG 377 LEU 576 CD1 312 0.813E+00 0.132E-01 -0.334E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
220 TRP 628 CG 377 LEU 576 CD2 313 0.669E+00 0.190E-01 -0.107E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
221 TRP 628 CG 377 ARG 579 CG 338 0.977E+00 -0.954E-03 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
222 TRP 628 CG 377 ARG 579 CD 339 0.856E+00 -0.124E-01 -0.246E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
223 TRP 628 CG 377 ARG 579 NE 340 0.795E+00 -0.518E-01 -0.419E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
224 TRP 628 CG 377 ARG 579 CZ 341 0.670E+00 -0.870E-01 -0.939E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
225 TRP 628 CG 377 ARG 579 NH1 342 0.587E+00 0.139E+00 -0.251E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
226 TRP 628 CG 377 ARG 579 NH2 343 0.643E+00 0.115E+00 -0.148E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
227 TRP 628 CG 377 ARG 579 HE 345 0.860E+00 -0.117E-01 -0.736E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
228 TRP 628 CD1 378 LEU 568 O 228 0.974E+00 0.776E-01 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
229 TRP 628 CD1 378 TRP 571 CA 252 0.958E+00 0.286E-02 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
230 TRP 628 CD1 378 TRP 571 C 253 0.843E+00 -0.102E+00 -0.239E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
231 TRP 628 CD1 378 TRP 571 O 254 0.791E+00 0.969E-01 -0.368E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
232 TRP 628 CD1 378 TRP 571 CB 255 0.923E+00 0.148E-01 -0.157E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
233 TRP 628 CD1 378 TRP 571 CG 256 0.811E+00 0.187E-01 -0.301E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
234 TRP 628 CD1 378 TRP 571 CD1 257 0.861E+00 0.294E-01 -0.211E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
235 TRP 628 CD1 378 TRP 571 CD2 258 0.674E+00 -0.238E-01 -0.903E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
236 TRP 628 CD1 378 TRP 571 NE1 259 0.769E+00 0.613E-01 -0.510E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
237 TRP 628 CD1 378 TRP 571 CE2 260 0.647E+00 -0.407E-01 -0.115E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
238 TRP 628 CD1 378 TRP 571 CE3 261 0.587E+00 0.542E-01 -0.202E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
239 TRP 628 CD1 378 TRP 571 CZ2 262 0.528E+00 0.941E-01 -0.369E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
240 TRP 628 CD1 378 TRP 571 CZ3 263 0.452E+00 0.106E+00 -0.826E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
241 TRP 628 CD1 378 TRP 571 CH2 264 0.415E+00 0.107E+00 -0.118E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
242 TRP 628 CD1 378 TRP 571 HE1 266 0.798E+00 -0.621E-01 -0.115E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
243 TRP 628 CD1 378 GLY 572 N 267 0.828E+00 0.675E-01 -0.328E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
244 TRP 628 CD1 378 GLY 572 CA 268 0.744E+00 0.282E-01 -0.570E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
245 TRP 628 CD1 378 GLY 572 C 269 0.801E+00 -0.111E+00 -0.326E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
246 TRP 628 CD1 378 GLY 572 O 270 0.744E+00 0.111E+00 -0.528E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
247 TRP 628 CD1 378 ILE 573 N 272 0.934E+00 0.669E-01 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
248 TRP 628 CD1 378 ILE 573 CA 273 0.102E+01 0.132E-01 -0.844E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
249 TRP 628 CD1 378 ILE 573 C 274 0.102E+01 -0.741E-01 -0.770E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
250 TRP 628 CD1 378 ILE 573 O 275 0.103E+01 0.795E-01 -0.757E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
251 TRP 628 CD1 378 LYS 574 N 281 0.103E+01 0.558E-01 -0.886E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
252 TRP 628 CD1 378 LYS 574 C 283 0.949E+00 -0.105E+00 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
253 TRP 628 CD1 378 LYS 574 O 284 0.989E+00 0.766E-01 -0.966E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
254 TRP 628 CD1 378 GLN 575 N 294 0.823E+00 0.707E-01 -0.341E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
255 TRP 628 CD1 378 GLN 575 CA 295 0.718E+00 -0.865E-02 -0.702E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
256 TRP 628 CD1 378 GLN 575 C 296 0.736E+00 -0.935E-01 -0.539E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
257 TRP 628 CD1 378 GLN 575 O 297 0.764E+00 0.118E+00 -0.453E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
258 TRP 628 CD1 378 GLN 575 CB 298 0.582E+00 0.115E-01 -0.241E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
259 TRP 628 CD1 378 GLN 575 CG 299 0.565E+00 0.767E-02 -0.286E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
260 TRP 628 CD1 378 GLN 575 CD 300 0.587E+00 -0.235E+00 -0.203E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
261 TRP 628 CD1 378 GLN 575 OE1 301 0.535E+00 0.272E+00 -0.369E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
262 TRP 628 CD1 378 GLN 575 NE2 302 0.700E+00 0.216E+00 -0.888E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
263 TRP 628 CD1 378 LEU 576 N 306 0.759E+00 0.748E-01 -0.552E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
264 TRP 628 CD1 378 LEU 576 CA 307 0.812E+00 0.189E-01 -0.337E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
265 TRP 628 CD1 378 LEU 576 C 308 0.951E+00 -0.827E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
266 TRP 628 CD1 378 LEU 576 O 309 0.100E+01 0.746E-01 -0.897E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
267 TRP 628 CD1 378 LEU 576 CB 310 0.842E+00 0.253E-01 -0.272E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
268 TRP 628 CD1 378 LEU 576 CG 311 0.737E+00 -0.427E-01 -0.603E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
269 TRP 628 CD1 378 LEU 576 CD1 312 0.825E+00 0.223E-01 -0.307E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
270 TRP 628 CD1 378 LEU 576 CD2 313 0.648E+00 0.351E-01 -0.128E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
271 TRP 628 CD1 378 GLN 577 N 315 0.103E+01 0.497E-01 -0.897E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
272 TRP 628 CD1 378 ARG 579 CB 337 0.958E+00 0.528E-02 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
273 TRP 628 CD1 378 ARG 579 CG 338 0.867E+00 -0.201E-02 -0.229E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
274 TRP 628 CD1 378 ARG 579 CD 339 0.743E+00 -0.276E-01 -0.574E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
275 TRP 628 CD1 378 ARG 579 NE 340 0.671E+00 -0.124E+00 -0.115E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
276 TRP 628 CD1 378 ARG 579 CZ 341 0.542E+00 -0.237E+00 -0.318E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
277 TRP 628 CD1 378 ARG 579 NH1 342 0.468E+00 0.407E+00 -0.877E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
278 TRP 628 CD1 378 ARG 579 NH2 343 0.508E+00 0.334E+00 -0.567E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
279 TRP 628 CD1 378 ARG 579 HE 345 0.732E+00 -0.270E-01 -0.193E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
280 TRP 628 CD2 379 LEU 568 CA 226 0.986E+00 -0.714E-02 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
281 TRP 628 CD2 379 LEU 568 C 227 0.916E+00 0.454E-01 -0.146E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
282 TRP 628 CD2 379 LEU 568 O 228 0.812E+00 -0.539E-01 -0.314E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
283 TRP 628 CD2 379 LEU 568 CB 229 0.989E+00 -0.101E-01 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
284 TRP 628 CD2 379 THR 569 N 234 0.991E+00 -0.172E-01 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
285 TRP 628 CD2 379 THR 569 CA 235 0.967E+00 -0.197E-01 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
286 TRP 628 CD2 379 THR 569 C 236 0.977E+00 0.401E-01 -0.988E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
287 TRP 628 CD2 379 THR 569 O 237 0.913E+00 -0.439E-01 -0.156E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
288 TRP 628 CD2 379 VAL 570 C 245 0.101E+01 0.307E-01 -0.835E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
289 TRP 628 CD2 379 VAL 570 O 246 0.996E+00 -0.282E-01 -0.925E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
290 TRP 628 CD2 379 TRP 571 N 251 0.949E+00 -0.320E-01 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
291 TRP 628 CD2 379 TRP 571 CA 252 0.861E+00 -0.175E-02 -0.238E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
292 TRP 628 CD2 379 TRP 571 C 253 0.739E+00 0.669E-01 -0.526E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
293 TRP 628 CD2 379 TRP 571 O 254 0.713E+00 -0.607E-01 -0.684E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
294 TRP 628 CD2 379 TRP 571 CB 255 0.832E+00 -0.909E-02 -0.293E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
295 TRP 628 CD2 379 TRP 571 CG 256 0.750E+00 -0.111E-01 -0.479E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
296 TRP 628 CD2 379 TRP 571 CD1 257 0.833E+00 -0.161E-01 -0.257E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
297 TRP 628 CD2 379 TRP 571 CD2 258 0.615E+00 0.148E-01 -0.155E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
298 TRP 628 CD2 379 TRP 571 NE1 259 0.769E+00 -0.317E-01 -0.508E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
299 TRP 628 CD2 379 TRP 571 CE2 260 0.637E+00 0.218E-01 -0.126E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
300 TRP 628 CD2 379 TRP 571 CE3 261 0.494E+00 -0.415E-01 -0.530E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
301 TRP 628 CD2 379 TRP 571 CZ2 262 0.551E+00 -0.442E-01 -0.291E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
302 TRP 628 CD2 379 TRP 571 CZ3 263 0.376E+00 -0.880E-01 -0.139E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
303 TRP 628 CD2 379 TRP 571 CH2 264 0.414E+00 -0.555E-01 -0.118E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
304 TRP 628 CD2 379 TRP 571 HE1 266 0.824E+00 0.303E-01 -0.949E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
305 TRP 628 CD2 379 GLY 572 N 267 0.691E+00 -0.487E-01 -0.963E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
306 TRP 628 CD2 379 GLY 572 CA 268 0.594E+00 -0.229E-01 -0.215E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
307 TRP 628 CD2 379 GLY 572 C 269 0.667E+00 0.812E-01 -0.966E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
308 TRP 628 CD2 379 GLY 572 O 270 0.631E+00 -0.794E-01 -0.140E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
309 TRP 628 CD2 379 ILE 573 N 272 0.797E+00 -0.451E-01 -0.413E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
310 TRP 628 CD2 379 ILE 573 CA 273 0.899E+00 -0.831E-02 -0.184E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
311 TRP 628 CD2 379 ILE 573 C 274 0.926E+00 0.443E-01 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
312 TRP 628 CD2 379 ILE 573 O 275 0.951E+00 -0.463E-01 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
313 TRP 628 CD2 379 ILE 573 CB 276 0.104E+01 0.407E-02 -0.780E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
314 TRP 628 CD2 379 LYS 574 N 281 0.950E+00 -0.326E-01 -0.144E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
315 TRP 628 CD2 379 LYS 574 CA 282 0.101E+01 -0.266E-02 -0.919E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
316 TRP 628 CD2 379 LYS 574 C 283 0.924E+00 0.566E-01 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
317 TRP 628 CD2 379 LYS 574 O 284 0.984E+00 -0.399E-01 -0.994E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
318 TRP 628 CD2 379 GLN 575 N 294 0.795E+00 -0.388E-01 -0.417E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
319 TRP 628 CD2 379 GLN 575 CA 295 0.721E+00 0.444E-02 -0.686E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
320 TRP 628 CD2 379 GLN 575 C 296 0.739E+00 0.480E-01 -0.526E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
321 TRP 628 CD2 379 GLN 575 O 297 0.796E+00 -0.565E-01 -0.353E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
322 TRP 628 CD2 379 GLN 575 CB 298 0.578E+00 -0.603E-02 -0.250E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
323 TRP 628 CD2 379 GLN 575 CG 299 0.574E+00 -0.382E-02 -0.260E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
324 TRP 628 CD2 379 GLN 575 CD 300 0.650E+00 0.983E-01 -0.112E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
325 TRP 628 CD2 379 GLN 575 OE1 301 0.637E+00 -0.961E-01 -0.133E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
326 TRP 628 CD2 379 GLN 575 NE2 302 0.761E+00 -0.958E-01 -0.543E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
327 TRP 628 CD2 379 LEU 576 N 306 0.725E+00 -0.421E-01 -0.722E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
328 TRP 628 CD2 379 LEU 576 CA 307 0.779E+00 -0.105E-01 -0.431E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
329 TRP 628 CD2 379 LEU 576 C 308 0.928E+00 0.444E-01 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
330 TRP 628 CD2 379 LEU 576 O 309 0.995E+00 -0.389E-01 -0.929E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
331 TRP 628 CD2 379 LEU 576 CB 310 0.771E+00 -0.152E-01 -0.460E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
332 TRP 628 CD2 379 LEU 576 CG 311 0.642E+00 0.290E-01 -0.136E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
333 TRP 628 CD2 379 LEU 576 CD1 312 0.698E+00 -0.157E-01 -0.828E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
334 TRP 628 CD2 379 LEU 576 CD2 313 0.582E+00 -0.228E-01 -0.240E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
335 TRP 628 CD2 379 GLN 577 N 315 0.997E+00 -0.269E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
336 TRP 628 CD2 379 ARG 579 CB 337 0.104E+01 -0.243E-02 -0.778E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
337 TRP 628 CD2 379 ARG 579 CG 338 0.969E+00 0.870E-03 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
338 TRP 628 CD2 379 ARG 579 CD 339 0.860E+00 0.110E-01 -0.240E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
339 TRP 628 CD2 379 ARG 579 NE 340 0.813E+00 0.448E-01 -0.366E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
340 TRP 628 CD2 379 ARG 579 CZ 341 0.699E+00 0.719E-01 -0.728E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
341 TRP 628 CD2 379 ARG 579 NH1 342 0.613E+00 -0.114E+00 -0.196E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
342 TRP 628 CD2 379 ARG 579 NH2 343 0.689E+00 -0.898E-01 -0.979E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
343 TRP 628 CD2 379 ARG 579 HE 345 0.881E+00 0.101E-01 -0.635E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
344 TRP 628 NE1 380 LEU 568 C 227 0.103E+01 -0.126E+00 -0.897E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
345 TRP 628 NE1 380 LEU 568 O 228 0.913E+00 0.147E+00 -0.190E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
346 TRP 628 NE1 380 THR 569 O 237 0.989E+00 0.129E+00 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
347 TRP 628 NE1 380 VAL 570 C 245 0.103E+01 -0.980E-01 -0.883E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
348 TRP 628 NE1 380 VAL 570 O 246 0.999E+00 0.929E-01 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
349 TRP 628 NE1 380 TRP 571 N 251 0.981E+00 0.101E+00 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
350 TRP 628 NE1 380 TRP 571 CA 252 0.873E+00 0.567E-02 -0.270E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
351 TRP 628 NE1 380 TRP 571 C 253 0.749E+00 -0.216E+00 -0.594E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
352 TRP 628 NE1 380 TRP 571 O 254 0.688E+00 0.215E+00 -0.103E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
353 TRP 628 NE1 380 TRP 571 CB 255 0.856E+00 0.287E-01 -0.304E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
354 TRP 628 NE1 380 TRP 571 CG 256 0.750E+00 0.369E-01 -0.590E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
355 TRP 628 NE1 380 TRP 571 CD1 257 0.804E+00 0.567E-01 -0.392E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
356 TRP 628 NE1 380 TRP 571 CD2 258 0.619E+00 -0.485E-01 -0.184E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
357 TRP 628 NE1 380 TRP 571 NE1 259 0.720E+00 0.119E+00 -0.924E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
358 TRP 628 NE1 380 TRP 571 CE2 260 0.601E+00 -0.815E-01 -0.219E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
359 TRP 628 NE1 380 TRP 571 CE3 261 0.534E+00 0.115E+00 -0.431E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
360 TRP 628 NE1 380 TRP 571 CZ2 262 0.497E+00 0.186E+00 -0.643E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
361 TRP 628 NE1 380 TRP 571 CZ3 263 0.412E+00 0.230E+00 -0.157E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
362 TRP 628 NE1 380 TRP 571 CH2 264 0.389E+00 0.217E+00 -0.187E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
363 TRP 628 NE1 380 TRP 571 HE1 266 0.755E+00 -0.117E+00 -0.184E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
364 TRP 628 NE1 380 GLY 572 N 267 0.737E+00 0.143E+00 -0.807E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
365 TRP 628 NE1 380 GLY 572 CA 268 0.646E+00 0.636E-01 -0.161E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
366 TRP 628 NE1 380 GLY 572 C 269 0.688E+00 -0.252E+00 -0.985E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
367 TRP 628 NE1 380 GLY 572 O 270 0.623E+00 0.270E+00 -0.184E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
368 TRP 628 NE1 380 ILE 573 N 272 0.821E+00 0.142E+00 -0.423E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
369 TRP 628 NE1 380 ILE 573 CA 273 0.904E+00 0.273E-01 -0.219E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
370 TRP 628 NE1 380 ILE 573 C 274 0.894E+00 -0.155E+00 -0.208E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
371 TRP 628 NE1 380 ILE 573 O 275 0.901E+00 0.167E+00 -0.206E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
372 TRP 628 NE1 380 LYS 574 N 281 0.908E+00 0.116E+00 -0.231E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
373 TRP 628 NE1 380 LYS 574 CA 282 0.936E+00 0.987E-02 -0.177E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
374 TRP 628 NE1 380 LYS 574 C 283 0.825E+00 -0.226E+00 -0.335E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
375 TRP 628 NE1 380 LYS 574 O 284 0.864E+00 0.162E+00 -0.264E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
376 TRP 628 NE1 380 LYS 574 CB 285 0.993E+00 0.250E-01 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
377 TRP 628 NE1 380 GLN 575 N 294 0.700E+00 0.163E+00 -0.110E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
378 TRP 628 NE1 380 GLN 575 CA 295 0.595E+00 -0.217E-01 -0.262E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
379 TRP 628 NE1 380 GLN 575 C 296 0.608E+00 -0.235E+00 -0.205E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
380 TRP 628 NE1 380 GLN 575 O 297 0.641E+00 0.283E+00 -0.157E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
381 TRP 628 NE1 380 GLN 575 CB 298 0.460E+00 0.340E-01 -0.109E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
382 TRP 628 NE1 380 GLN 575 CG 299 0.462E+00 0.210E-01 -0.106E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
383 TRP 628 NE1 380 GLN 575 CD 300 0.500E+00 -0.581E+00 -0.623E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
384 TRP 628 NE1 380 GLN 575 OE1 301 0.456E+00 0.681E+00 -0.110E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
385 TRP 628 NE1 380 GLN 575 NE2 302 0.621E+00 0.471E+00 -0.221E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
386 TRP 628 NE1 380 LEU 576 N 306 0.628E+00 0.186E+00 -0.208E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
387 TRP 628 NE1 380 LEU 576 CA 307 0.685E+00 0.443E-01 -0.115E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
388 TRP 628 NE1 380 LEU 576 C 308 0.823E+00 -0.179E+00 -0.339E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
389 TRP 628 NE1 380 LEU 576 O 309 0.878E+00 0.156E+00 -0.239E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
390 TRP 628 NE1 380 LEU 576 CB 310 0.718E+00 0.576E-01 -0.866E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
391 TRP 628 NE1 380 LEU 576 CG 311 0.619E+00 -0.103E+00 -0.208E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
392 TRP 628 NE1 380 LEU 576 CD1 312 0.717E+00 0.493E-01 -0.869E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
393 TRP 628 NE1 380 LEU 576 CD2 313 0.538E+00 0.901E-01 -0.466E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
394 TRP 628 NE1 380 GLN 577 N 315 0.898E+00 0.105E+00 -0.247E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
395 TRP 628 NE1 380 GLN 577 CA 316 0.103E+01 -0.807E-02 -0.976E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
396 TRP 628 NE1 380 ALA 578 N 327 0.979E+00 0.958E-01 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
397 TRP 628 NE1 380 ALA 578 CA 328 0.103E+01 0.617E-02 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
398 TRP 628 NE1 380 ALA 578 C 329 0.104E+01 -0.123E+00 -0.839E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
399 TRP 628 NE1 380 ALA 578 CB 331 0.954E+00 0.565E-01 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
400 TRP 628 NE1 380 ARG 579 N 333 0.958E+00 0.735E-01 -0.168E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
401 TRP 628 NE1 380 ARG 579 CA 334 0.985E+00 0.307E-01 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
402 TRP 628 NE1 380 ARG 579 CB 337 0.860E+00 0.107E-01 -0.294E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
403 TRP 628 NE1 380 ARG 579 CG 338 0.775E+00 -0.417E-02 -0.551E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
404 TRP 628 NE1 380 ARG 579 CD 339 0.661E+00 -0.592E-01 -0.141E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
405 TRP 628 NE1 380 ARG 579 NE 340 0.599E+00 -0.269E+00 -0.275E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
406 TRP 628 NE1 380 ARG 579 CZ 341 0.481E+00 -0.539E+00 -0.764E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
407 TRP 628 NE1 380 ARG 579 NH1 342 0.407E+00 0.995E+00 -0.213E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
408 TRP 628 NE1 380 ARG 579 NH2 343 0.465E+00 0.708E+00 -0.113E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
409 TRP 628 NE1 380 ARG 579 HE 345 0.663E+00 -0.562E-01 -0.401E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
410 TRP 628 NE1 380 ILE 580 CD1 357 0.100E+01 0.231E-01 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
411 TRP 628 CE2 381 LEU 568 CA 226 0.100E+01 -0.110E-01 -0.949E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
412 TRP 628 CE2 381 LEU 568 C 227 0.925E+00 0.704E-01 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
413 TRP 628 CE2 381 LEU 568 O 228 0.812E+00 -0.851E-01 -0.314E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
414 TRP 628 CE2 381 LEU 568 CB 229 0.103E+01 -0.151E-01 -0.826E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
415 TRP 628 CE2 381 THR 569 N 234 0.100E+01 -0.268E-01 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
416 TRP 628 CE2 381 THR 569 CA 235 0.967E+00 -0.311E-01 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
417 TRP 628 CE2 381 THR 569 C 236 0.955E+00 0.655E-01 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
418 TRP 628 CE2 381 THR 569 O 237 0.880E+00 -0.735E-01 -0.194E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
419 TRP 628 CE2 381 VAL 570 N 243 0.104E+01 -0.464E-01 -0.838E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
420 TRP 628 CE2 381 VAL 570 C 245 0.950E+00 0.527E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
421 TRP 628 CE2 381 VAL 570 O 246 0.925E+00 -0.498E-01 -0.144E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
422 TRP 628 CE2 381 TRP 571 N 251 0.904E+00 -0.546E-01 -0.194E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
423 TRP 628 CE2 381 TRP 571 CA 252 0.808E+00 -0.308E-02 -0.349E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
424 TRP 628 CE2 381 TRP 571 C 253 0.677E+00 0.125E+00 -0.879E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
425 TRP 628 CE2 381 TRP 571 O 254 0.631E+00 -0.122E+00 -0.140E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
426 TRP 628 CE2 381 TRP 571 CB 255 0.796E+00 -0.155E-01 -0.380E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
427 TRP 628 CE2 381 TRP 571 CG 256 0.710E+00 -0.195E-01 -0.668E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
428 TRP 628 CE2 381 TRP 571 CD1 257 0.784E+00 -0.282E-01 -0.370E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
429 TRP 628 CE2 381 TRP 571 CD2 258 0.579E+00 0.266E-01 -0.219E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
430 TRP 628 CE2 381 TRP 571 NE1 259 0.719E+00 -0.567E-01 -0.763E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
431 TRP 628 CE2 381 TRP 571 CE2 260 0.592E+00 0.400E-01 -0.192E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
432 TRP 628 CE2 381 TRP 571 CE3 261 0.473E+00 -0.726E-01 -0.662E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
433 TRP 628 CE2 381 TRP 571 CZ2 262 0.510E+00 -0.833E-01 -0.448E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
434 TRP 628 CE2 381 TRP 571 CZ3 263 0.363E+00 -0.153E+00 -0.123E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
435 TRP 628 CE2 381 TRP 571 CH2 264 0.388E+00 -0.104E+00 -0.138E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
436 TRP 628 CE2 381 TRP 571 HE1 266 0.769E+00 0.540E-01 -0.143E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
437 TRP 628 CE2 381 GLY 572 N 267 0.644E+00 -0.883E-01 -0.145E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
438 TRP 628 CE2 381 GLY 572 CA 268 0.543E+00 -0.441E-01 -0.358E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
439 TRP 628 CE2 381 GLY 572 C 269 0.593E+00 0.163E+00 -0.192E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
440 TRP 628 CE2 381 GLY 572 O 270 0.539E+00 -0.177E+00 -0.353E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
441 TRP 628 CE2 381 ILE 573 N 272 0.726E+00 -0.842E-01 -0.718E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
442 TRP 628 CE2 381 ILE 573 CA 273 0.816E+00 -0.154E-01 -0.327E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
443 TRP 628 CE2 381 ILE 573 C 274 0.826E+00 0.843E-01 -0.271E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
444 TRP 628 CE2 381 ILE 573 O 275 0.842E+00 -0.888E-01 -0.253E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
445 TRP 628 CE2 381 ILE 573 CB 276 0.962E+00 0.718E-02 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
446 TRP 628 CE2 381 ILE 573 CG1 277 0.994E+00 0.242E-02 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
447 TRP 628 CE2 381 LYS 574 N 281 0.849E+00 -0.616E-01 -0.282E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
448 TRP 628 CE2 381 LYS 574 CA 282 0.897E+00 -0.503E-02 -0.186E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
449 TRP 628 CE2 381 LYS 574 C 283 0.801E+00 0.113E+00 -0.324E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
450 TRP 628 CE2 381 LYS 574 O 284 0.854E+00 -0.787E-01 -0.231E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
451 TRP 628 CE2 381 LYS 574 CB 285 0.960E+00 -0.125E-01 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
452 TRP 628 CE2 381 GLN 575 N 294 0.675E+00 -0.833E-01 -0.111E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
453 TRP 628 CE2 381 GLN 575 CA 295 0.590E+00 0.105E-01 -0.222E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
454 TRP 628 CE2 381 GLN 575 C 296 0.603E+00 0.114E+00 -0.174E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
455 TRP 628 CE2 381 GLN 575 O 297 0.657E+00 -0.128E+00 -0.111E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
456 TRP 628 CE2 381 GLN 575 CB 298 0.450E+00 -0.171E-01 -0.950E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
457 TRP 628 CE2 381 GLN 575 CG 299 0.463E+00 -0.993E-02 -0.829E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
458 TRP 628 CE2 381 GLN 575 CD 300 0.539E+00 0.232E+00 -0.330E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
459 TRP 628 CE2 381 GLN 575 OE1 301 0.524E+00 -0.233E+00 -0.416E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
460 TRP 628 CE2 381 GLN 575 NE2 302 0.658E+00 -0.200E+00 -0.129E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
461 TRP 628 CE2 381 LEU 576 N 306 0.597E+00 -0.983E-01 -0.227E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
462 TRP 628 CE2 381 LEU 576 CA 307 0.655E+00 -0.231E-01 -0.121E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
463 TRP 628 CE2 381 LEU 576 C 308 0.801E+00 0.894E-01 -0.324E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
464 TRP 628 CE2 381 LEU 576 O 309 0.868E+00 -0.760E-01 -0.211E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
465 TRP 628 CE2 381 LEU 576 CB 310 0.663E+00 -0.321E-01 -0.113E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
466 TRP 628 CE2 381 LEU 576 CG 311 0.547E+00 0.645E-01 -0.343E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
467 TRP 628 CE2 381 LEU 576 CD1 312 0.628E+00 -0.307E-01 -0.155E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
468 TRP 628 CE2 381 LEU 576 CD2 313 0.485E+00 -0.547E-01 -0.659E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
469 TRP 628 CE2 381 GLN 577 N 315 0.871E+00 -0.524E-01 -0.243E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
470 TRP 628 CE2 381 GLN 577 CA 316 0.101E+01 0.397E-02 -0.903E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
471 TRP 628 CE2 381 ALA 578 N 327 0.987E+00 -0.451E-01 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
472 TRP 628 CE2 381 ALA 578 CB 331 0.991E+00 -0.255E-01 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
473 TRP 628 CE2 381 ARG 579 N 333 0.990E+00 -0.333E-01 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
474 TRP 628 CE2 381 ARG 579 CA 334 0.103E+01 -0.138E-01 -0.835E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
475 TRP 628 CE2 381 ARG 579 CB 337 0.908E+00 -0.468E-02 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
476 TRP 628 CE2 381 ARG 579 CG 338 0.837E+00 0.173E-02 -0.281E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
477 TRP 628 CE2 381 ARG 579 CD 339 0.735E+00 0.230E-01 -0.611E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
478 TRP 628 CE2 381 ARG 579 NE 340 0.690E+00 0.957E-01 -0.970E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
479 TRP 628 CE2 381 ARG 579 CZ 341 0.584E+00 0.164E+00 -0.209E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
480 TRP 628 CE2 381 ARG 579 NH1 342 0.503E+00 -0.280E+00 -0.600E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
481 TRP 628 CE2 381 ARG 579 NH2 343 0.583E+00 -0.200E+00 -0.260E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
482 TRP 628 CE2 381 ARG 579 HE 345 0.757E+00 0.207E-01 -0.157E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
483 TRP 628 CE2 381 ILE 580 CD1 357 0.986E+00 -0.113E-01 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
484 TRP 628 CE3 382 GLN 567 O 216 0.105E+01 0.624E-01 -0.676E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
485 TRP 628 CE3 382 LEU 568 N 225 0.105E+01 0.392E-01 -0.793E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
486 TRP 628 CE3 382 LEU 568 CA 226 0.911E+00 0.138E-01 -0.170E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
487 TRP 628 CE3 382 LEU 568 C 227 0.834E+00 -0.904E-01 -0.255E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
488 TRP 628 CE3 382 LEU 568 O 228 0.739E+00 0.109E+00 -0.550E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
489 TRP 628 CE3 382 LEU 568 CB 229 0.904E+00 0.199E-01 -0.178E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
490 TRP 628 CE3 382 LEU 568 CG 230 0.101E+01 -0.225E-01 -0.929E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
491 TRP 628 CE3 382 LEU 568 CD1 231 0.102E+01 0.141E-01 -0.846E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
492 TRP 628 CE3 382 LEU 568 CD2 232 0.996E+00 0.146E-01 -0.993E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
493 TRP 628 CE3 382 THR 569 N 234 0.899E+00 0.342E-01 -0.201E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
494 TRP 628 CE3 382 THR 569 CA 235 0.872E+00 0.397E-01 -0.220E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
495 TRP 628 CE3 382 THR 569 C 236 0.898E+00 -0.783E-01 -0.164E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
496 TRP 628 CE3 382 THR 569 O 237 0.838E+00 0.864E-01 -0.259E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
497 TRP 628 CE3 382 THR 569 CB 238 0.987E+00 -0.287E-01 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
498 TRP 628 CE3 382 THR 569 CG2 240 0.993E+00 0.211E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
499 TRP 628 CE3 382 VAL 570 N 243 0.998E+00 0.534E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
500 TRP 628 CE3 382 VAL 570 C 245 0.965E+00 -0.558E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
501 TRP 628 CE3 382 VAL 570 O 246 0.967E+00 0.504E-01 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
502 TRP 628 CE3 382 TRP 571 N 251 0.912E+00 0.584E-01 -0.184E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
503 TRP 628 CE3 382 TRP 571 CA 252 0.841E+00 0.311E-02 -0.274E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
504 TRP 628 CE3 382 TRP 571 C 253 0.719E+00 -0.120E+00 -0.616E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
505 TRP 628 CE3 382 TRP 571 O 254 0.714E+00 0.103E+00 -0.675E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
506 TRP 628 CE3 382 TRP 571 CB 255 0.813E+00 0.162E-01 -0.334E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
507 TRP 628 CE3 382 TRP 571 CG 256 0.755E+00 0.188E-01 -0.461E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
508 TRP 628 CE3 382 TRP 571 CD1 257 0.855E+00 0.263E-01 -0.220E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
509 TRP 628 CE3 382 TRP 571 CD2 258 0.628E+00 -0.243E-01 -0.138E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
510 TRP 628 CE3 382 TRP 571 NE1 259 0.810E+00 0.494E-01 -0.373E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
511 TRP 628 CE3 382 TRP 571 CE2 260 0.677E+00 -0.329E-01 -0.880E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
512 TRP 628 CE3 382 TRP 571 CE3 261 0.492E+00 0.717E-01 -0.540E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
513 TRP 628 CE3 382 TRP 571 CZ2 262 0.614E+00 0.597E-01 -0.156E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
514 TRP 628 CE3 382 TRP 571 CZ3 263 0.400E+00 0.128E+00 -0.131E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
515 TRP 628 CE3 382 TRP 571 CH2 264 0.477E+00 0.668E-01 -0.637E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
516 TRP 628 CE3 382 TRP 571 HE1 266 0.877E+00 -0.467E-01 -0.652E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
517 TRP 628 CE3 382 GLY 572 N 267 0.649E+00 0.944E-01 -0.140E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
518 TRP 628 CE3 382 GLY 572 CA 268 0.547E+00 0.470E-01 -0.341E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
519 TRP 628 CE3 382 GLY 572 C 269 0.632E+00 -0.155E+00 -0.133E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
520 TRP 628 CE3 382 GLY 572 O 270 0.616E+00 0.143E+00 -0.162E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
521 TRP 628 CE3 382 ILE 573 N 272 0.754E+00 0.851E-01 -0.573E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
522 TRP 628 CE3 382 ILE 573 CA 273 0.864E+00 0.152E-01 -0.234E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
523 TRP 628 CE3 382 ILE 573 C 274 0.913E+00 -0.775E-01 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
524 TRP 628 CE3 382 ILE 573 O 275 0.948E+00 0.796E-01 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
525 TRP 628 CE3 382 ILE 573 CB 276 0.992E+00 -0.743E-02 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
526 TRP 628 CE3 382 ILE 573 CG1 277 0.989E+00 -0.265E-02 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
527 TRP 628 CE3 382 LYS 574 N 281 0.945E+00 0.562E-01 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
528 TRP 628 CE3 382 LYS 574 CA 282 0.102E+01 0.447E-02 -0.851E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
529 TRP 628 CE3 382 LYS 574 C 283 0.954E+00 -0.921E-01 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
530 TRP 628 CE3 382 LYS 574 O 284 0.103E+01 0.643E-01 -0.776E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
531 TRP 628 CE3 382 GLN 575 N 294 0.829E+00 0.618E-01 -0.326E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
532 TRP 628 CE3 382 GLN 575 CA 295 0.775E+00 -0.665E-02 -0.447E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
533 TRP 628 CE3 382 GLN 575 C 296 0.792E+00 -0.723E-01 -0.346E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
534 TRP 628 CE3 382 GLN 575 O 297 0.864E+00 0.842E-01 -0.217E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
535 TRP 628 CE3 382 GLN 575 CB 298 0.635E+00 0.843E-02 -0.144E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
536 TRP 628 CE3 382 GLN 575 CG 299 0.637E+00 0.524E-02 -0.142E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
537 TRP 628 CE3 382 GLN 575 CD 300 0.734E+00 -0.133E+00 -0.546E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
538 TRP 628 CE3 382 GLN 575 OE1 301 0.739E+00 0.123E+00 -0.548E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
539 TRP 628 CE3 382 GLN 575 NE2 302 0.839E+00 0.138E+00 -0.303E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
540 TRP 628 CE3 382 LEU 576 N 306 0.759E+00 0.662E-01 -0.551E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
541 TRP 628 CE3 382 LEU 576 CA 307 0.811E+00 0.168E-01 -0.341E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
542 TRP 628 CE3 382 LEU 576 C 308 0.961E+00 -0.720E-01 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
543 TRP 628 CE3 382 LEU 576 O 309 0.104E+01 0.628E-01 -0.733E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
544 TRP 628 CE3 382 LEU 576 CB 310 0.778E+00 0.257E-01 -0.436E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
545 TRP 628 CE3 382 LEU 576 CG 311 0.638E+00 -0.502E-01 -0.141E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
546 TRP 628 CE3 382 LEU 576 CD1 312 0.666E+00 0.294E-01 -0.109E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
547 TRP 628 CE3 382 LEU 576 CD2 313 0.600E+00 0.366E-01 -0.202E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
548 TRP 628 CE3 382 GLN 577 N 315 0.102E+01 0.443E-01 -0.924E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
549 TRP 628 CE3 382 ARG 579 CD 339 0.963E+00 -0.158E-01 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
550 TRP 628 CE3 382 ARG 579 NE 340 0.928E+00 -0.617E-01 -0.166E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
551 TRP 628 CE3 382 ARG 579 CZ 341 0.821E+00 -0.918E-01 -0.280E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
552 TRP 628 CE3 382 ARG 579 NH1 342 0.731E+00 0.137E+00 -0.688E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
553 TRP 628 CE3 382 ARG 579 NH2 343 0.819E+00 0.112E+00 -0.350E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
554 TRP 628 CE3 382 ARG 579 HE 345 0.998E+00 -0.143E-01 -0.301E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
555 TRP 628 CZ2 383 GLN 567 O 216 0.102E+01 0.896E-01 -0.820E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
556 TRP 628 CZ2 383 LEU 568 CA 226 0.949E+00 0.177E-01 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
557 TRP 628 CZ2 383 LEU 568 C 227 0.855E+00 -0.119E+00 -0.220E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
558 TRP 628 CZ2 383 LEU 568 O 228 0.739E+00 0.150E+00 -0.551E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
559 TRP 628 CZ2 383 LEU 568 CB 229 0.986E+00 0.238E-01 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
560 TRP 628 CZ2 383 THR 569 N 234 0.919E+00 0.452E-01 -0.176E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
561 TRP 628 CZ2 383 THR 569 CA 235 0.871E+00 0.545E-01 -0.222E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
562 TRP 628 CZ2 383 THR 569 C 236 0.848E+00 -0.118E+00 -0.230E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
563 TRP 628 CZ2 383 THR 569 O 237 0.763E+00 0.140E+00 -0.453E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
564 TRP 628 CZ2 383 THR 569 CB 238 0.995E+00 -0.389E-01 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
565 TRP 628 CZ2 383 THR 569 CG2 240 0.104E+01 0.269E-01 -0.760E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
566 TRP 628 CZ2 383 VAL 570 N 243 0.936E+00 0.807E-01 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
567 TRP 628 CZ2 383 VAL 570 CA 244 0.952E+00 0.908E-02 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
568 TRP 628 CZ2 383 VAL 570 C 245 0.844E+00 -0.947E-01 -0.237E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
569 TRP 628 CZ2 383 VAL 570 O 246 0.813E+00 0.916E-01 -0.312E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
570 TRP 628 CZ2 383 TRP 571 N 251 0.813E+00 0.968E-01 -0.367E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
571 TRP 628 CZ2 383 TRP 571 CA 252 0.727E+00 0.554E-02 -0.654E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
572 TRP 628 CZ2 383 TRP 571 C 253 0.585E+00 -0.251E+00 -0.207E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
573 TRP 628 CZ2 383 TRP 571 O 254 0.539E+00 0.256E+00 -0.353E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
574 TRP 628 CZ2 383 TRP 571 CB 255 0.738E+00 0.264E-01 -0.597E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
575 TRP 628 CZ2 383 TRP 571 CG 256 0.671E+00 0.323E-01 -0.929E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
576 TRP 628 CZ2 383 TRP 571 CD1 257 0.755E+00 0.448E-01 -0.460E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
577 TRP 628 CZ2 383 TRP 571 CD2 258 0.555E+00 -0.436E-01 -0.281E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
578 TRP 628 CZ2 383 TRP 571 NE1 259 0.710E+00 0.863E-01 -0.821E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
579 TRP 628 CZ2 383 TRP 571 CE2 260 0.591E+00 -0.598E-01 -0.196E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
580 TRP 628 CZ2 383 TRP 571 CE3 261 0.449E+00 0.123E+00 -0.854E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
581 TRP 628 CZ2 383 TRP 571 CZ2 262 0.537E+00 0.110E+00 -0.335E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
582 TRP 628 CZ2 383 TRP 571 CZ3 263 0.375E+00 0.209E+00 -0.138E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
583 TRP 628 CZ2 383 TRP 571 CH2 264 0.429E+00 0.119E+00 -0.104E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
584 TRP 628 CZ2 383 TRP 571 HE1 266 0.771E+00 -0.800E-01 -0.142E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
585 TRP 628 CZ2 383 GLY 572 N 267 0.544E+00 0.189E+00 -0.388E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
586 TRP 628 CZ2 383 GLY 572 CA 268 0.428E+00 0.116E+00 -0.118E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
587 TRP 628 CZ2 383 GLY 572 C 269 0.461E+00 -0.435E+00 -0.754E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
588 TRP 628 CZ2 383 GLY 572 O 270 0.403E+00 0.536E+00 -0.160E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
589 TRP 628 CZ2 383 ILE 573 N 272 0.593E+00 0.188E+00 -0.235E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
590 TRP 628 CZ2 383 ILE 573 CA 273 0.679E+00 0.322E-01 -0.978E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
591 TRP 628 CZ2 383 ILE 573 C 274 0.694E+00 -0.172E+00 -0.763E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
592 TRP 628 CZ2 383 ILE 573 O 275 0.711E+00 0.179E+00 -0.694E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
593 TRP 628 CZ2 383 ILE 573 CB 276 0.825E+00 -0.137E-01 -0.307E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
594 TRP 628 CZ2 383 ILE 573 CG1 277 0.858E+00 -0.454E-02 -0.243E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
595 TRP 628 CZ2 383 ILE 573 CG2 278 0.924E+00 0.238E-01 -0.156E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
596 TRP 628 CZ2 383 ILE 573 CD1 279 0.100E+01 0.164E-01 -0.965E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
597 TRP 628 CZ2 383 LYS 574 N 281 0.727E+00 0.121E+00 -0.715E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
598 TRP 628 CZ2 383 LYS 574 CA 282 0.785E+00 0.939E-02 -0.414E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
599 TRP 628 CZ2 383 LYS 574 C 283 0.698E+00 -0.217E+00 -0.736E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
600 TRP 628 CZ2 383 LYS 574 O 284 0.757E+00 0.144E+00 -0.475E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
601 TRP 628 CZ2 383 LYS 574 CB 285 0.858E+00 0.223E-01 -0.243E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
602 TRP 628 CZ2 383 LYS 574 CG 286 0.974E+00 -0.557E-02 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
603 TRP 628 CZ2 383 GLN 575 N 294 0.575E+00 0.173E+00 -0.282E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
604 TRP 628 CZ2 383 GLN 575 CA 295 0.507E+00 -0.220E-01 -0.521E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
605 TRP 628 CZ2 383 GLN 575 C 296 0.513E+00 -0.243E+00 -0.434E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
606 TRP 628 CZ2 383 GLN 575 O 297 0.584E+00 0.244E+00 -0.222E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
607 TRP 628 CZ2 383 GLN 575 CB 298 0.375E+00 0.406E-01 -0.156E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
608 TRP 628 CZ2 383 GLN 575 CG 299 0.418E+00 0.191E-01 -0.129E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
609 TRP 628 CZ2 383 GLN 575 CD 300 0.524E+00 -0.369E+00 -0.387E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
610 TRP 628 CZ2 383 GLN 575 OE1 301 0.531E+00 0.335E+00 -0.382E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
611 TRP 628 CZ2 383 GLN 575 NE2 302 0.641E+00 0.313E+00 -0.150E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
612 TRP 628 CZ2 383 LEU 576 N 306 0.486E+00 0.233E+00 -0.721E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
613 TRP 628 CZ2 383 LEU 576 CA 307 0.547E+00 0.504E-01 -0.342E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
614 TRP 628 CZ2 383 LEU 576 C 308 0.696E+00 -0.173E+00 -0.751E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
615 TRP 628 CZ2 383 LEU 576 O 309 0.772E+00 0.138E+00 -0.423E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
616 TRP 628 CZ2 383 LEU 576 CB 310 0.543E+00 0.731E-01 -0.357E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
617 TRP 628 CZ2 383 LEU 576 CG 311 0.426E+00 -0.175E+00 -0.121E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
618 TRP 628 CZ2 383 LEU 576 CD1 312 0.507E+00 0.732E-01 -0.522E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
619 TRP 628 CZ2 383 LEU 576 CD2 313 0.392E+00 0.139E+00 -0.154E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
620 TRP 628 CZ2 383 GLN 577 N 315 0.757E+00 0.993E-01 -0.559E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
621 TRP 628 CZ2 383 GLN 577 CA 316 0.901E+00 -0.705E-02 -0.182E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
622 TRP 628 CZ2 383 GLN 577 C 317 0.954E+00 -0.729E-01 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
623 TRP 628 CZ2 383 GLN 577 CB 319 0.964E+00 0.549E-02 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
624 TRP 628 CZ2 383 ALA 578 N 327 0.898E+00 0.775E-01 -0.201E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
625 TRP 628 CZ2 383 ALA 578 CA 328 0.979E+00 0.469E-02 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
626 TRP 628 CZ2 383 ALA 578 C 329 0.101E+01 -0.911E-01 -0.811E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
627 TRP 628 CZ2 383 ALA 578 CB 331 0.929E+00 0.417E-01 -0.151E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
628 TRP 628 CZ2 383 ARG 579 N 333 0.926E+00 0.549E-01 -0.168E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
629 TRP 628 CZ2 383 ARG 579 CA 334 0.973E+00 0.221E-01 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
630 TRP 628 CZ2 383 ARG 579 CB 337 0.867E+00 0.749E-02 -0.228E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
631 TRP 628 CZ2 383 ARG 579 CG 338 0.811E+00 -0.272E-02 -0.339E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
632 TRP 628 CZ2 383 ARG 579 CD 339 0.728E+00 -0.348E-01 -0.647E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
633 TRP 628 CZ2 383 ARG 579 NE 340 0.701E+00 -0.138E+00 -0.882E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
634 TRP 628 CZ2 383 ARG 579 CZ 341 0.616E+00 -0.218E+00 -0.154E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
635 TRP 628 CZ2 383 ARG 579 NH1 342 0.539E+00 0.354E+00 -0.408E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
636 TRP 628 CZ2 383 ARG 579 NH2 343 0.633E+00 0.249E+00 -0.161E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
637 TRP 628 CZ2 383 ARG 579 HE 345 0.768E+00 -0.300E-01 -0.144E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
638 TRP 628 CZ2 383 ILE 580 CG1 355 0.103E+01 -0.342E-02 -0.817E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
639 TRP 628 CZ2 383 ILE 580 CD1 357 0.902E+00 0.192E-01 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
640 TRP 628 CZ3 384 GLN 567 C 215 0.104E+01 -0.502E-01 -0.699E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
641 TRP 628 CZ3 384 GLN 567 O 216 0.976E+00 0.739E-01 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
642 TRP 628 CZ3 384 LEU 568 N 225 0.984E+00 0.458E-01 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
643 TRP 628 CZ3 384 LEU 568 CA 226 0.851E+00 0.164E-01 -0.254E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
644 TRP 628 CZ3 384 LEU 568 C 227 0.757E+00 -0.114E+00 -0.454E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
645 TRP 628 CZ3 384 LEU 568 O 228 0.660E+00 0.145E+00 -0.108E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
646 TRP 628 CZ3 384 LEU 568 CB 229 0.859E+00 0.231E-01 -0.242E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
647 TRP 628 CZ3 384 LEU 568 CG 230 0.977E+00 -0.250E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
648 TRP 628 CZ3 384 LEU 568 CD1 231 0.101E+01 0.154E-01 -0.940E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
649 TRP 628 CZ3 384 LEU 568 CD2 232 0.978E+00 0.160E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
650 TRP 628 CZ3 384 THR 569 N 234 0.809E+00 0.434E-01 -0.376E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
651 TRP 628 CZ3 384 THR 569 CA 235 0.766E+00 0.529E-01 -0.479E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
652 TRP 628 CZ3 384 THR 569 C 236 0.785E+00 -0.105E+00 -0.367E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
653 TRP 628 CZ3 384 THR 569 O 237 0.717E+00 0.122E+00 -0.659E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
654 TRP 628 CZ3 384 THR 569 CB 238 0.876E+00 -0.368E-01 -0.214E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
655 TRP 628 CZ3 384 THR 569 OG1 239 0.100E+01 0.756E-01 -0.982E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
656 TRP 628 CZ3 384 THR 569 CG2 240 0.892E+00 0.265E-01 -0.193E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
657 TRP 628 CZ3 384 THR 569 HG1 242 0.103E+01 -0.492E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
658 TRP 628 CZ3 384 VAL 570 N 243 0.891E+00 0.678E-01 -0.212E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
659 TRP 628 CZ3 384 VAL 570 CA 244 0.943E+00 0.716E-02 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
660 TRP 628 CZ3 384 VAL 570 C 245 0.863E+00 -0.710E-01 -0.209E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
661 TRP 628 CZ3 384 VAL 570 O 246 0.861E+00 0.645E-01 -0.220E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
662 TRP 628 CZ3 384 TRP 571 N 251 0.823E+00 0.737E-01 -0.341E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
663 TRP 628 CZ3 384 TRP 571 CA 252 0.764E+00 0.392E-02 -0.484E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
664 TRP 628 CZ3 384 TRP 571 C 253 0.634E+00 -0.165E+00 -0.130E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
665 TRP 628 CZ3 384 TRP 571 O 254 0.634E+00 0.139E+00 -0.136E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
666 TRP 628 CZ3 384 TRP 571 CB 255 0.758E+00 0.195E-01 -0.510E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
667 TRP 628 CZ3 384 TRP 571 CG 256 0.720E+00 0.219E-01 -0.613E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
668 TRP 628 CZ3 384 TRP 571 CD1 257 0.830E+00 0.295E-01 -0.263E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
669 TRP 628 CZ3 384 TRP 571 CD2 258 0.606E+00 -0.279E-01 -0.170E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
670 TRP 628 CZ3 384 TRP 571 NE1 259 0.803E+00 0.535E-01 -0.394E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
671 TRP 628 CZ3 384 TRP 571 CE2 260 0.676E+00 -0.352E-01 -0.890E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
672 TRP 628 CZ3 384 TRP 571 CE3 261 0.470E+00 0.855E-01 -0.689E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
673 TRP 628 CZ3 384 TRP 571 CZ2 262 0.637E+00 0.589E-01 -0.126E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
674 TRP 628 CZ3 384 TRP 571 CZ3 263 0.410E+00 0.128E+00 -0.122E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
675 TRP 628 CZ3 384 TRP 571 CH2 264 0.511E+00 0.604E-01 -0.444E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
676 TRP 628 CZ3 384 TRP 571 HE1 266 0.878E+00 -0.497E-01 -0.646E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
677 TRP 628 CZ3 384 GLY 572 N 267 0.550E+00 0.143E+00 -0.364E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
678 TRP 628 CZ3 384 GLY 572 CA 268 0.435E+00 0.869E-01 -0.111E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
679 TRP 628 CZ3 384 GLY 572 C 269 0.510E+00 -0.265E+00 -0.447E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
680 TRP 628 CZ3 384 GLY 572 O 270 0.501E+00 0.242E+00 -0.536E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
681 TRP 628 CZ3 384 ILE 573 N 272 0.628E+00 0.130E+00 -0.169E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
682 TRP 628 CZ3 384 ILE 573 CA 273 0.735E+00 0.215E-01 -0.609E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
683 TRP 628 CZ3 384 ILE 573 C 274 0.795E+00 -0.104E+00 -0.339E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
684 TRP 628 CZ3 384 ILE 573 O 275 0.834E+00 0.104E+00 -0.268E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
685 TRP 628 CZ3 384 ILE 573 CB 276 0.861E+00 -0.988E-02 -0.238E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
686 TRP 628 CZ3 384 ILE 573 CG1 277 0.853E+00 -0.356E-02 -0.252E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
687 TRP 628 CZ3 384 ILE 573 CG2 278 0.979E+00 0.169E-01 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
688 TRP 628 CZ3 384 ILE 573 CD1 279 0.984E+00 0.130E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
689 TRP 628 CZ3 384 LYS 574 N 281 0.837E+00 0.729E-01 -0.308E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
690 TRP 628 CZ3 384 LYS 574 CA 282 0.925E+00 0.554E-02 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
691 TRP 628 CZ3 384 LYS 574 C 283 0.869E+00 -0.114E+00 -0.200E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
692 TRP 628 CZ3 384 LYS 574 O 284 0.946E+00 0.772E-01 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
693 TRP 628 CZ3 384 LYS 574 CB 285 0.993E+00 0.138E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
694 TRP 628 CZ3 384 GLN 575 N 294 0.750E+00 0.786E-01 -0.593E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
695 TRP 628 CZ3 384 GLN 575 CA 295 0.713E+00 -0.827E-02 -0.734E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
696 TRP 628 CZ3 384 GLN 575 C 296 0.725E+00 -0.905E-01 -0.587E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
697 TRP 628 CZ3 384 GLN 575 O 297 0.808E+00 0.100E+00 -0.323E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
698 TRP 628 CZ3 384 GLN 575 CB 298 0.584E+00 0.107E-01 -0.236E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
699 TRP 628 CZ3 384 GLN 575 CG 299 0.604E+00 0.623E-02 -0.193E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
700 TRP 628 CZ3 384 GLN 575 CD 300 0.722E+00 -0.146E+00 -0.602E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
701 TRP 628 CZ3 384 GLN 575 OE1 301 0.744E+00 0.129E+00 -0.529E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
702 TRP 628 CZ3 384 GLN 575 NE2 302 0.825E+00 0.151E+00 -0.335E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
703 TRP 628 CZ3 384 LEU 576 N 306 0.674E+00 0.884E-01 -0.112E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
704 TRP 628 CZ3 384 LEU 576 CA 307 0.725E+00 0.218E-01 -0.663E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
705 TRP 628 CZ3 384 LEU 576 C 308 0.874E+00 -0.891E-01 -0.193E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
706 TRP 628 CZ3 384 LEU 576 O 309 0.955E+00 0.753E-01 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
707 TRP 628 CZ3 384 LEU 576 CB 310 0.678E+00 0.355E-01 -0.988E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
708 TRP 628 CZ3 384 LEU 576 CG 311 0.536E+00 -0.780E-01 -0.383E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
709 TRP 628 CZ3 384 LEU 576 CD1 312 0.553E+00 0.466E-01 -0.322E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
710 TRP 628 CZ3 384 LEU 576 CD2 313 0.526E+00 0.522E-01 -0.427E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
711 TRP 628 CZ3 384 GLN 577 N 315 0.928E+00 0.547E-01 -0.166E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
712 TRP 628 CZ3 384 ARG 579 CG 338 0.104E+01 -0.142E-02 -0.756E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
713 TRP 628 CZ3 384 ARG 579 CD 339 0.956E+00 -0.170E-01 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
714 TRP 628 CZ3 384 ARG 579 NE 340 0.934E+00 -0.650E-01 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
715 TRP 628 CZ3 384 ARG 579 CZ 341 0.842E+00 -0.937E-01 -0.241E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
716 TRP 628 CZ3 384 ARG 579 NH1 342 0.754E+00 0.138E+00 -0.572E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
717 TRP 628 CZ3 384 ARG 579 NH2 343 0.853E+00 0.111E+00 -0.274E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
718 TRP 628 CZ3 384 ARG 579 HE 345 0.100E+01 -0.150E-01 -0.289E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
719 TRP 628 CH2 385 GLN 567 C 215 0.103E+01 -0.410E-01 -0.718E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
720 TRP 628 CH2 385 GLN 567 O 216 0.957E+00 0.617E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
721 TRP 628 CH2 385 LEU 568 N 225 0.997E+00 0.365E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
722 TRP 628 CH2 385 LEU 568 CA 226 0.872E+00 0.128E-01 -0.221E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
723 TRP 628 CH2 385 LEU 568 C 227 0.768E+00 -0.903E-01 -0.418E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
724 TRP 628 CH2 385 LEU 568 O 228 0.659E+00 0.118E+00 -0.109E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
725 TRP 628 CH2 385 LEU 568 CB 229 0.902E+00 0.173E-01 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
726 TRP 628 CH2 385 LEU 568 CG 230 0.103E+01 -0.189E-01 -0.832E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
727 TRP 628 CH2 385 LEU 568 CD2 232 0.102E+01 0.122E-01 -0.868E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
728 TRP 628 CH2 385 THR 569 N 234 0.819E+00 0.344E-01 -0.349E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
729 TRP 628 CH2 385 THR 569 CA 235 0.764E+00 0.431E-01 -0.484E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
730 TRP 628 CH2 385 THR 569 C 236 0.756E+00 -0.908E-01 -0.458E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
731 TRP 628 CH2 385 THR 569 O 237 0.674E+00 0.112E+00 -0.956E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
732 TRP 628 CH2 385 THR 569 CB 238 0.880E+00 -0.297E-01 -0.209E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
733 TRP 628 CH2 385 THR 569 OG1 239 0.999E+00 0.617E-01 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
734 TRP 628 CH2 385 THR 569 CG2 240 0.918E+00 0.205E-01 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
735 TRP 628 CH2 385 THR 569 HG1 242 0.103E+01 -0.398E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
736 TRP 628 CH2 385 VAL 570 N 243 0.856E+00 0.588E-01 -0.269E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
737 TRP 628 CH2 385 VAL 570 CA 244 0.888E+00 0.639E-02 -0.198E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
738 TRP 628 CH2 385 VAL 570 C 245 0.797E+00 -0.660E-01 -0.335E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
739 TRP 628 CH2 385 VAL 570 O 246 0.778E+00 0.624E-01 -0.405E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
740 TRP 628 CH2 385 VAL 570 CB 247 0.103E+01 -0.387E-01 -0.819E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
741 TRP 628 CH2 385 TRP 571 N 251 0.769E+00 0.673E-01 -0.509E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
742 TRP 628 CH2 385 TRP 571 CA 252 0.704E+00 0.371E-02 -0.790E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
743 TRP 628 CH2 385 TRP 571 C 253 0.561E+00 -0.173E+00 -0.262E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
744 TRP 628 CH2 385 TRP 571 O 254 0.542E+00 0.159E+00 -0.342E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
745 TRP 628 CH2 385 TRP 571 CB 255 0.718E+00 0.175E-01 -0.700E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
746 TRP 628 CH2 385 TRP 571 CG 256 0.677E+00 0.200E-01 -0.879E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
747 TRP 628 CH2 385 TRP 571 CD1 257 0.781E+00 0.266E-01 -0.378E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
748 TRP 628 CH2 385 TRP 571 CD2 258 0.569E+00 -0.259E-01 -0.242E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
749 TRP 628 CH2 385 TRP 571 NE1 259 0.755E+00 0.485E-01 -0.570E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
750 TRP 628 CH2 385 TRP 571 CE2 260 0.635E+00 -0.324E-01 -0.129E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
751 TRP 628 CH2 385 TRP 571 CE3 261 0.448E+00 0.779E-01 -0.863E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
752 TRP 628 CH2 385 TRP 571 CZ2 262 0.602E+00 0.537E-01 -0.175E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
753 TRP 628 CH2 385 TRP 571 CZ3 263 0.399E+00 0.112E+00 -0.132E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
754 TRP 628 CH2 385 TRP 571 CH2 264 0.490E+00 0.540E-01 -0.553E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
755 TRP 628 CH2 385 TRP 571 HE1 266 0.828E+00 -0.445E-01 -0.921E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
756 TRP 628 CH2 385 GLY 572 N 267 0.490E+00 0.152E+00 -0.690E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
757 TRP 628 CH2 385 GLY 572 CA 268 0.362E+00 0.114E+00 -0.136E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
758 TRP 628 CH2 385 GLY 572 C 269 0.409E+00 -0.369E+00 -0.123E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
759 TRP 628 CH2 385 GLY 572 O 270 0.378E+00 0.399E+00 -0.199E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
760 TRP 628 CH2 385 ILE 573 N 272 0.535E+00 0.149E+00 -0.424E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
761 TRP 628 CH2 385 ILE 573 CA 273 0.632E+00 0.235E-01 -0.149E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
762 TRP 628 CH2 385 ILE 573 C 274 0.677E+00 -0.114E+00 -0.883E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
763 TRP 628 CH2 385 ILE 573 O 275 0.707E+00 0.114E+00 -0.718E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
764 TRP 628 CH2 385 ILE 573 CB 276 0.768E+00 -0.977E-02 -0.470E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
765 TRP 628 CH2 385 ILE 573 CG1 277 0.778E+00 -0.338E-02 -0.434E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
766 TRP 628 CH2 385 ILE 573 CG2 278 0.878E+00 0.163E-01 -0.212E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
767 TRP 628 CH2 385 ILE 573 CD1 279 0.918E+00 0.118E-01 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
768 TRP 628 CH2 385 LYS 574 N 281 0.720E+00 0.774E-01 -0.752E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
769 TRP 628 CH2 385 LYS 574 CA 282 0.802E+00 0.569E-02 -0.364E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
770 TRP 628 CH2 385 LYS 574 C 283 0.738E+00 -0.123E+00 -0.527E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
771 TRP 628 CH2 385 LYS 574 O 284 0.811E+00 0.806E-01 -0.316E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
772 TRP 628 CH2 385 LYS 574 CB 285 0.878E+00 0.135E-01 -0.212E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
773 TRP 628 CH2 385 LYS 574 CG 286 0.978E+00 -0.349E-02 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
774 TRP 628 CH2 385 GLN 575 N 294 0.621E+00 0.923E-01 -0.180E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
775 TRP 628 CH2 385 GLN 575 CA 295 0.582E+00 -0.102E-01 -0.241E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
776 TRP 628 CH2 385 GLN 575 C 296 0.588E+00 -0.112E+00 -0.201E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
777 TRP 628 CH2 385 GLN 575 O 297 0.673E+00 0.114E+00 -0.960E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
778 TRP 628 CH2 385 GLN 575 CB 298 0.460E+00 0.152E-01 -0.863E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
779 TRP 628 CH2 385 GLN 575 CG 299 0.502E+00 0.768E-02 -0.550E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
780 TRP 628 CH2 385 GLN 575 CD 300 0.626E+00 -0.157E+00 -0.140E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
781 TRP 628 CH2 385 GLN 575 OE1 301 0.651E+00 0.136E+00 -0.117E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
782 TRP 628 CH2 385 GLN 575 NE2 302 0.732E+00 0.152E+00 -0.682E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
783 TRP 628 CH2 385 LEU 576 N 306 0.535E+00 0.117E+00 -0.425E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
784 TRP 628 CH2 385 LEU 576 CA 307 0.591E+00 0.268E-01 -0.221E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
785 TRP 628 CH2 385 LEU 576 C 308 0.739E+00 -0.970E-01 -0.525E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
786 TRP 628 CH2 385 LEU 576 O 309 0.823E+00 0.778E-01 -0.289E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
787 TRP 628 CH2 385 LEU 576 CB 310 0.553E+00 0.442E-01 -0.322E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
788 TRP 628 CH2 385 LEU 576 CG 311 0.419E+00 -0.115E+00 -0.128E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
789 TRP 628 CH2 385 LEU 576 CD1 312 0.461E+00 0.578E-01 -0.846E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
790 TRP 628 CH2 385 LEU 576 CD2 313 0.418E+00 0.742E-01 -0.130E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
791 TRP 628 CH2 385 GLN 577 N 315 0.791E+00 0.578E-01 -0.430E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
792 TRP 628 CH2 385 GLN 577 CA 316 0.936E+00 -0.418E-02 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
793 TRP 628 CH2 385 GLN 577 C 317 0.101E+01 -0.423E-01 -0.819E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
794 TRP 628 CH2 385 GLN 577 CB 319 0.986E+00 0.334E-02 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
795 TRP 628 CH2 385 ALA 578 N 327 0.965E+00 0.437E-01 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
796 TRP 628 CH2 385 ALA 578 CB 331 0.102E+01 0.228E-01 -0.860E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
797 TRP 628 CH2 385 ARG 579 N 333 0.101E+01 0.302E-01 -0.978E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
798 TRP 628 CH2 385 ARG 579 CB 337 0.966E+00 0.398E-02 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
799 TRP 628 CH2 385 ARG 579 CG 338 0.924E+00 -0.138E-02 -0.156E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
800 TRP 628 CH2 385 ARG 579 CD 339 0.848E+00 -0.167E-01 -0.261E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
801 TRP 628 CH2 385 ARG 579 NE 340 0.832E+00 -0.637E-01 -0.319E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
802 TRP 628 CH2 385 ARG 579 CZ 341 0.751E+00 -0.929E-01 -0.476E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
803 TRP 628 CH2 385 ARG 579 NH1 342 0.671E+00 0.140E+00 -0.115E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
804 TRP 628 CH2 385 ARG 579 NH2 343 0.772E+00 0.107E+00 -0.496E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
805 TRP 628 CH2 385 ARG 579 HE 345 0.900E+00 -0.144E-01 -0.560E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
806 TRP 628 CH2 385 ILE 580 CD1 357 0.939E+00 0.114E-01 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
807 TRP 628 HE1 387 LEU 568 O 228 0.952E+00 -0.149E+00 -0.334E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
808 TRP 628 HE1 387 THR 569 O 237 0.101E+01 -0.135E+00 -0.235E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
809 TRP 628 HE1 387 VAL 570 C 245 0.103E+01 0.106E+00 -0.244E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
810 TRP 628 HE1 387 VAL 570 O 246 0.991E+00 -0.102E+00 -0.264E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
811 TRP 628 HE1 387 TRP 571 N 251 0.990E+00 -0.108E+00 -0.361E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
812 TRP 628 HE1 387 TRP 571 CA 252 0.876E+00 -0.608E-02 -0.739E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
813 TRP 628 HE1 387 TRP 571 C 253 0.753E+00 0.231E+00 -0.163E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
814 TRP 628 HE1 387 TRP 571 O 254 0.677E+00 -0.240E+00 -0.258E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
815 TRP 628 HE1 387 TRP 571 CB 255 0.870E+00 -0.302E-01 -0.775E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
816 TRP 628 HE1 387 TRP 571 CG 256 0.760E+00 -0.389E-01 -0.154E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
817 TRP 628 HE1 387 TRP 571 CD1 257 0.802E+00 -0.614E-01 -0.111E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
818 TRP 628 HE1 387 TRP 571 CD2 258 0.636E+00 0.495E-01 -0.448E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
819 TRP 628 HE1 387 TRP 571 NE1 259 0.716E+00 -0.130E+00 -0.253E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
820 TRP 628 HE1 387 TRP 571 CE2 260 0.607E+00 0.862E-01 -0.595E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
821 TRP 628 HE1 387 TRP 571 CE3 261 0.568E+00 -0.108E+00 -0.883E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
822 TRP 628 HE1 387 TRP 571 CZ2 262 0.505E+00 -0.194E+00 -0.178E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
823 TRP 628 HE1 387 TRP 571 CZ3 263 0.456E+00 -0.192E+00 -0.325E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
824 TRP 628 HE1 387 TRP 571 CH2 264 0.418E+00 -0.194E+00 -0.545E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
825 TRP 628 HE1 387 TRP 571 HE1 266 0.743E+00 0.131E+00 -0.906E-06
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
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d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
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d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
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d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
829 TRP 628 HE1 387 GLY 572 O 270 0.613E+00 -0.302E+00 -0.468E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
830 TRP 628 HE1 387 ILE 573 N 272 0.820E+00 -0.153E+00 -0.112E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
831 TRP 628 HE1 387 ILE 573 CA 273 0.892E+00 -0.301E-01 -0.667E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
832 TRP 628 HE1 387 ILE 573 C 274 0.866E+00 0.176E+00 -0.705E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
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d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
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d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
835 TRP 628 HE1 387 LYS 574 N 281 0.877E+00 -0.132E+00 -0.746E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
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d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
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d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
838 TRP 628 HE1 387 LYS 574 O 284 0.799E+00 -0.200E+00 -0.956E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
839 TRP 628 HE1 387 LYS 574 CB 285 0.951E+00 -0.288E-01 -0.453E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
840 TRP 628 HE1 387 GLN 575 N 294 0.651E+00 -0.203E+00 -0.448E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
841 TRP 628 HE1 387 GLN 575 CA 295 0.533E+00 0.299E-01 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
842 TRP 628 HE1 387 GLN 575 C 296 0.540E+00 0.328E+00 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
843 TRP 628 HE1 387 GLN 575 O 297 0.561E+00 -0.406E+00 -0.795E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
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d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
845 TRP 628 HE1 387 GLN 575 CG 299 0.422E+00 -0.284E-01 -0.577E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
846 TRP 628 HE1 387 GLN 575 CD 300 0.443E+00 0.840E+00 -0.384E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
847 TRP 628 HE1 387 GLN 575 OE1 301 0.386E+00 -0.113E+01 -0.737E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
848 TRP 628 HE1 387 GLN 575 NE2 302 0.569E+00 -0.615E+00 -0.995E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
849 TRP 628 HE1 387 LEU 576 N 306 0.575E+00 -0.242E+00 -0.939E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
850 TRP 628 HE1 387 LEU 576 CA 307 0.631E+00 -0.564E-01 -0.528E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
851 TRP 628 HE1 387 LEU 576 C 308 0.762E+00 0.222E+00 -0.151E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
852 TRP 628 HE1 387 LEU 576 O 309 0.812E+00 -0.193E+00 -0.869E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
853 TRP 628 HE1 387 LEU 576 CB 310 0.683E+00 -0.686E-01 -0.330E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
854 TRP 628 HE1 387 LEU 576 CG 311 0.602E+00 0.119E+00 -0.704E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
855 TRP 628 HE1 387 LEU 576 CD1 312 0.716E+00 -0.535E-01 -0.249E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
856 TRP 628 HE1 387 LEU 576 CD2 313 0.517E+00 -0.107E+00 -0.175E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
857 TRP 628 HE1 387 GLN 577 N 315 0.839E+00 -0.126E+00 -0.975E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
858 TRP 628 HE1 387 GLN 577 CA 316 0.970E+00 0.958E-02 -0.401E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
859 TRP 628 HE1 387 GLN 577 C 317 0.981E+00 0.107E+00 -0.333E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
860 TRP 628 HE1 387 ALA 578 N 327 0.900E+00 -0.118E+00 -0.642E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
861 TRP 628 HE1 387 ALA 578 CA 328 0.941E+00 -0.760E-02 -0.482E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
862 TRP 628 HE1 387 ALA 578 C 329 0.950E+00 0.152E+00 -0.405E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
863 TRP 628 HE1 387 ALA 578 O 330 0.104E+01 -0.129E+00 -0.193E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
864 TRP 628 HE1 387 ALA 578 CB 331 0.866E+00 -0.713E-01 -0.796E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
865 TRP 628 HE1 387 ARG 579 N 333 0.870E+00 -0.926E-01 -0.784E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
866 TRP 628 HE1 387 ARG 579 CA 334 0.896E+00 -0.384E-01 -0.645E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
867 TRP 628 HE1 387 ARG 579 C 335 0.998E+00 0.181E+00 -0.300E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
868 TRP 628 HE1 387 ARG 579 CB 337 0.773E+00 -0.139E-01 -0.157E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
869 TRP 628 HE1 387 ARG 579 CG 338 0.681E+00 0.575E-02 -0.335E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
870 TRP 628 HE1 387 ARG 579 CD 339 0.570E+00 0.876E-01 -0.975E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
871 TRP 628 HE1 387 ARG 579 NE 340 0.503E+00 0.431E+00 -0.210E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
872 TRP 628 HE1 387 ARG 579 CZ 341 0.387E+00 0.101E+01 -0.849E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
873 TRP 628 HE1 387 ARG 579 NH1 342 0.322E+00 -0.202E+01 -0.278E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
874 TRP 628 HE1 387 ARG 579 NH2 343 0.376E+00 -0.132E+01 -0.116E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
875 TRP 628 HE1 387 ARG 579 HE 345 0.565E+00 0.850E-01 -0.467E-05
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
876 TRP 628 HE1 387 ILE 580 N 350 0.104E+01 -0.105E+00 -0.263E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
877 TRP 628 HE1 387 ILE 580 CG1 355 0.105E+01 0.509E-02 -0.252E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
878 TRP 628 HE1 387 ILE 580 CD1 357 0.946E+00 -0.272E-01 -0.467E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
879 MET 629 N 388 TRP 571 CG 256 0.102E+01 0.297E-01 -0.966E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
880 MET 629 N 388 TRP 571 CD2 258 0.888E+00 -0.328E-01 -0.215E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
881 MET 629 N 388 TRP 571 NE1 259 0.989E+00 0.920E-01 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
882 MET 629 N 388 TRP 571 CE2 260 0.874E+00 -0.531E-01 -0.237E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
883 MET 629 N 388 TRP 571 CE3 261 0.799E+00 0.672E-01 -0.405E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
884 MET 629 N 388 TRP 571 CZ2 262 0.771E+00 0.980E-01 -0.501E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
885 MET 629 N 388 TRP 571 CZ3 263 0.685E+00 0.952E-01 -0.101E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
886 MET 629 N 388 TRP 571 CH2 264 0.669E+00 0.809E-01 -0.116E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
887 MET 629 N 388 TRP 571 HE1 266 0.102E+01 -0.953E-01 -0.306E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
888 MET 629 N 388 GLN 575 CG 299 0.996E+00 0.611E-02 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
889 MET 629 N 388 GLN 575 CD 300 0.102E+01 -0.197E+00 -0.935E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
890 MET 629 N 388 GLN 575 OE1 301 0.995E+00 0.192E+00 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
891 MET 629 N 388 ARG 579 NH1 342 0.102E+01 0.204E+00 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
892 MET 629 N 388 ARG 579 NH2 343 0.102E+01 0.204E+00 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
893 MET 629 CA 389 TRP 571 CD2 258 0.991E+00 -0.617E-02 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
894 MET 629 CA 389 TRP 571 CE2 260 0.986E+00 -0.981E-02 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
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d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
896 MET 629 CA 389 TRP 571 CZ2 262 0.892E+00 0.170E-01 -0.192E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
897 MET 629 CA 389 TRP 571 CZ3 263 0.797E+00 0.160E-01 -0.376E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
898 MET 629 CA 389 TRP 571 CH2 264 0.793E+00 0.131E-01 -0.389E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
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d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
900 MET 629 C 390 LEU 568 CG 230 0.105E+01 0.830E-01 -0.741E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
901 MET 629 C 390 LEU 568 CD1 231 0.987E+00 -0.579E-01 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
902 MET 629 C 390 LEU 568 CD2 232 0.100E+01 -0.567E-01 -0.966E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
903 MET 629 C 390 TRP 571 CD2 258 0.957E+00 0.444E-01 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
904 MET 629 C 390 TRP 571 CE2 260 0.957E+00 0.700E-01 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
905 MET 629 C 390 TRP 571 CE3 261 0.876E+00 -0.873E-01 -0.191E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
906 MET 629 C 390 TRP 571 CZ2 262 0.878E+00 -0.119E+00 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
907 MET 629 C 390 TRP 571 CZ3 263 0.790E+00 -0.111E+00 -0.353E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
908 MET 629 C 390 TRP 571 CH2 264 0.791E+00 -0.897E-01 -0.350E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
909 MET 629 O 391 LEU 568 CB 229 0.101E+01 0.614E-01 -0.937E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
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d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
911 MET 629 O 391 LEU 568 CD1 231 0.934E+00 0.593E-01 -0.153E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
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d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
913 MET 629 O 391 TRP 571 CD2 258 0.101E+01 -0.387E-01 -0.859E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
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d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
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915 MET 629 O 391 TRP 571 CE3 261 0.923E+00 0.757E-01 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
916 MET 629 O 391 TRP 571 CZ2 262 0.955E+00 0.983E-01 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
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d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
918 MET 629 O 391 TRP 571 CH2 264 0.867E+00 0.723E-01 -0.211E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
919 MET 629 CB 392 TRP 571 CE3 261 0.104E+01 -0.213E-02 -0.693E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
920 MET 629 CB 392 TRP 571 CZ2 262 0.100E+01 -0.307E-02 -0.848E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
921 MET 629 CB 392 TRP 571 CZ3 263 0.929E+00 -0.268E-02 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
922 MET 629 CB 392 TRP 571 CH2 264 0.910E+00 -0.225E-02 -0.152E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
923 MET 629 CG 393 TRP 571 CZ2 262 0.983E+00 0.346E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
924 MET 629 CG 393 TRP 571 CZ3 263 0.940E+00 0.288E-01 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
925 MET 629 CG 393 TRP 571 CH2 264 0.899E+00 0.251E-01 -0.184E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
926 MET 629 SD 394 TRP 571 CH2 264 0.105E+01 0.203E-01 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
927 GLU 630 N 397 LEU 568 CB 229 0.101E+01 0.461E-01 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
928 GLU 630 N 397 LEU 568 CG 230 0.100E+01 -0.620E-01 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
929 GLU 630 N 397 LEU 568 CD1 231 0.957E+00 0.427E-01 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
930 GLU 630 N 397 LEU 568 CD2 232 0.942E+00 0.438E-01 -0.171E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
931 GLU 630 N 397 TRP 571 CG 256 0.988E+00 0.331E-01 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
932 GLU 630 N 397 TRP 571 CD1 257 0.103E+01 0.539E-01 -0.867E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
933 GLU 630 N 397 TRP 571 CD2 258 0.883E+00 -0.355E-01 -0.223E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
934 GLU 630 N 397 TRP 571 NE1 259 0.965E+00 0.102E+00 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
935 GLU 630 N 397 TRP 571 CE2 260 0.871E+00 -0.572E-01 -0.242E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
936 GLU 630 N 397 TRP 571 CE3 261 0.818E+00 0.691E-01 -0.353E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
937 GLU 630 N 397 TRP 571 CZ2 262 0.794E+00 0.997E-01 -0.421E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
938 GLU 630 N 397 TRP 571 CZ3 263 0.736E+00 0.889E-01 -0.662E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
939 GLU 630 N 397 TRP 571 CH2 264 0.723E+00 0.746E-01 -0.737E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
940 GLU 630 N 397 TRP 571 HE1 266 0.992E+00 -0.106E+00 -0.358E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
941 GLU 630 CA 398 LEU 568 CA 226 0.102E+01 -0.242E-02 -0.988E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
942 GLU 630 CA 398 LEU 568 O 228 0.103E+01 -0.131E-01 -0.850E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
943 GLU 630 CA 398 LEU 568 CB 229 0.939E+00 -0.390E-02 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
944 GLU 630 CA 398 LEU 568 CG 230 0.914E+00 0.542E-02 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
945 GLU 630 CA 398 LEU 568 CD1 231 0.862E+00 -0.382E-02 -0.266E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
946 GLU 630 CA 398 LEU 568 CD2 232 0.845E+00 -0.395E-02 -0.301E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
947 GLU 630 CA 398 TRP 571 CB 255 0.104E+01 -0.229E-02 -0.882E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
948 GLU 630 CA 398 TRP 571 CG 256 0.960E+00 -0.262E-02 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
949 GLU 630 CA 398 TRP 571 CD1 257 0.100E+01 -0.427E-02 -0.958E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
950 GLU 630 CA 398 TRP 571 CD2 258 0.870E+00 0.275E-02 -0.223E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
951 GLU 630 CA 398 TRP 571 NE1 259 0.945E+00 -0.799E-02 -0.168E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
952 GLU 630 CA 398 TRP 571 CE2 260 0.864E+00 0.439E-02 -0.234E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
953 GLU 630 CA 398 TRP 571 CE3 261 0.819E+00 -0.522E-02 -0.322E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
954 GLU 630 CA 398 TRP 571 CZ2 262 0.806E+00 -0.735E-02 -0.354E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
955 GLU 630 CA 398 TRP 571 CZ3 263 0.758E+00 -0.636E-02 -0.508E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
956 GLU 630 CA 398 TRP 571 CH2 264 0.751E+00 -0.525E-02 -0.537E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
957 GLU 630 CA 398 TRP 571 HE1 266 0.972E+00 0.826E-02 -0.397E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
958 GLU 630 C 399 LEU 565 CD2 202 0.105E+01 -0.415E-01 -0.732E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
959 GLU 630 C 399 LEU 568 N 225 0.100E+01 -0.128E+00 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
960 GLU 630 C 399 LEU 568 CA 226 0.879E+00 -0.446E-01 -0.210E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
961 GLU 630 C 399 LEU 568 C 227 0.930E+00 0.231E+00 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
962 GLU 630 C 399 LEU 568 O 228 0.900E+00 -0.237E+00 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
963 GLU 630 C 399 LEU 568 CB 229 0.794E+00 -0.756E-01 -0.387E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
964 GLU 630 C 399 LEU 568 CG 230 0.772E+00 0.106E+00 -0.455E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
965 GLU 630 C 399 LEU 568 CD1 231 0.718E+00 -0.776E-01 -0.702E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
966 GLU 630 C 399 LEU 568 CD2 232 0.714E+00 -0.784E-01 -0.724E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
967 GLU 630 C 399 THR 569 N 234 0.103E+01 -0.844E-01 -0.872E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
968 GLU 630 C 399 TRP 571 C 253 0.105E+01 0.197E+00 -0.649E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
969 GLU 630 C 399 TRP 571 CB 255 0.937E+00 -0.390E-01 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
970 GLU 630 C 399 TRP 571 CG 256 0.878E+00 -0.443E-01 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
971 GLU 630 C 399 TRP 571 CD1 257 0.935E+00 -0.696E-01 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
972 GLU 630 C 399 TRP 571 CD2 258 0.795E+00 0.472E-01 -0.340E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
973 GLU 630 C 399 TRP 571 NE1 259 0.894E+00 -0.128E+00 -0.207E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
974 GLU 630 C 399 TRP 571 CE2 260 0.810E+00 0.719E-01 -0.303E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
975 GLU 630 C 399 TRP 571 CE3 261 0.736E+00 -0.927E-01 -0.537E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
976 GLU 630 C 399 TRP 571 CZ2 262 0.771E+00 -0.117E+00 -0.408E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
977 GLU 630 C 399 TRP 571 CZ3 263 0.693E+00 -0.111E+00 -0.765E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
978 GLU 630 C 399 TRP 571 CH2 264 0.712E+00 -0.853E-01 -0.655E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
979 GLU 630 C 399 TRP 571 HE1 266 0.935E+00 0.129E+00 -0.444E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
980 GLU 630 C 399 GLY 572 N 267 0.102E+01 -0.132E+00 -0.961E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
981 GLU 630 C 399 GLY 572 CA 268 0.102E+01 -0.450E-01 -0.842E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
982 GLU 630 O 400 HIS 564 O 185 0.991E+00 0.245E+00 -0.969E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
983 GLU 630 O 400 LEU 565 CD2 202 0.964E+00 0.592E-01 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
984 GLU 630 O 400 LEU 568 N 225 0.967E+00 0.170E+00 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
985 GLU 630 O 400 LEU 568 CA 226 0.853E+00 0.591E-01 -0.264E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
986 GLU 630 O 400 LEU 568 C 227 0.917E+00 -0.298E+00 -0.152E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
987 GLU 630 O 400 LEU 568 O 228 0.904E+00 0.297E+00 -0.168E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
988 GLU 630 O 400 LEU 568 CB 229 0.752E+00 0.105E+00 -0.558E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
989 GLU 630 O 400 LEU 568 CG 230 0.714E+00 -0.155E+00 -0.763E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
990 GLU 630 O 400 LEU 568 CD1 231 0.642E+00 0.122E+00 -0.143E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
991 GLU 630 O 400 LEU 568 CD2 232 0.665E+00 0.114E+00 -0.116E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
992 GLU 630 O 400 THR 569 N 234 0.101E+01 0.109E+00 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
993 GLU 630 O 400 TRP 571 CB 255 0.964E+00 0.472E-01 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
994 GLU 630 O 400 TRP 571 CG 256 0.921E+00 0.517E-01 -0.147E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
995 GLU 630 O 400 TRP 571 CD1 257 0.982E+00 0.815E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
996 GLU 630 O 400 TRP 571 CD2 258 0.852E+00 -0.528E-01 -0.235E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
997 GLU 630 O 400 TRP 571 NE1 259 0.955E+00 0.146E+00 -0.144E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
998 GLU 630 O 400 TRP 571 CE2 260 0.879E+00 -0.790E-01 -0.195E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
999 GLU 630 O 400 TRP 571 CE3 261 0.797E+00 0.101E+00 -0.350E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1000 GLU 630 O 400 TRP 571 CZ2 262 0.855E+00 0.123E+00 -0.230E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1001 GLU 630 O 400 TRP 571 CZ3 263 0.772E+00 0.114E+00 -0.423E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1002 GLU 630 O 400 TRP 571 CH2 264 0.803E+00 0.864E-01 -0.336E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1003 GLU 630 O 400 TRP 571 HE1 266 0.100E+01 -0.147E+00 -0.249E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1004 GLU 630 CB 401 LEU 568 CA 226 0.102E+01 -0.564E-02 -0.960E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1005 GLU 630 CB 401 LEU 568 O 228 0.104E+01 -0.304E-01 -0.804E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1006 GLU 630 CB 401 LEU 568 CB 229 0.959E+00 -0.885E-02 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1007 GLU 630 CB 401 LEU 568 CG 230 0.925E+00 0.125E-01 -0.175E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1008 GLU 630 CB 401 LEU 568 CD1 231 0.891E+00 -0.847E-02 -0.218E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1009 GLU 630 CB 401 LEU 568 CD2 232 0.833E+00 -0.947E-02 -0.326E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1010 GLU 630 CB 401 TRP 571 CB 255 0.999E+00 -0.566E-02 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1011 GLU 630 CB 401 TRP 571 CG 256 0.911E+00 -0.665E-02 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1012 GLU 630 CB 401 TRP 571 CD1 257 0.934E+00 -0.111E-01 -0.146E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1013 GLU 630 CB 401 TRP 571 CD2 258 0.831E+00 0.696E-02 -0.294E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1014 GLU 630 CB 401 TRP 571 NE1 259 0.871E+00 -0.213E-01 -0.273E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1015 GLU 630 CB 401 TRP 571 CE2 260 0.805E+00 0.116E-01 -0.354E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1016 GLU 630 CB 401 TRP 571 CE3 261 0.803E+00 -0.126E-01 -0.361E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1017 GLU 630 CB 401 TRP 571 CZ2 262 0.750E+00 -0.196E-01 -0.543E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1018 GLU 630 CB 401 TRP 571 CZ3 263 0.748E+00 -0.153E-01 -0.549E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1019 GLU 630 CB 401 TRP 571 CH2 264 0.720E+00 -0.133E-01 -0.690E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1020 GLU 630 CB 401 TRP 571 HE1 266 0.886E+00 0.224E-01 -0.693E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1021 GLU 630 CG 402 LEU 568 CA 226 0.978E+00 0.273E-02 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1022 GLU 630 CG 402 LEU 568 O 228 0.103E+01 0.140E-01 -0.858E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1023 GLU 630 CG 402 LEU 568 CB 229 0.911E+00 0.434E-02 -0.191E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1024 GLU 630 CG 402 LEU 568 CG 230 0.855E+00 -0.642E-02 -0.279E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1025 GLU 630 CG 402 LEU 568 CD1 231 0.821E+00 0.440E-02 -0.356E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1026 GLU 630 CG 402 LEU 568 CD2 232 0.755E+00 0.511E-02 -0.586E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1027 GLU 630 CG 402 TRP 571 CB 255 0.984E+00 0.262E-02 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1028 GLU 630 CG 402 TRP 571 CG 256 0.909E+00 0.303E-02 -0.172E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1029 GLU 630 CG 402 TRP 571 CD1 257 0.926E+00 0.511E-02 -0.154E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1030 GLU 630 CG 402 TRP 571 CD2 258 0.849E+00 -0.304E-02 -0.258E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1031 GLU 630 CG 402 TRP 571 NE1 259 0.878E+00 0.954E-02 -0.261E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1032 GLU 630 CG 402 TRP 571 CE2 260 0.830E+00 -0.499E-02 -0.296E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1033 GLU 630 CG 402 TRP 571 CE3 261 0.838E+00 0.533E-02 -0.280E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1034 GLU 630 CG 402 TRP 571 CZ2 262 0.798E+00 0.795E-02 -0.376E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1035 GLU 630 CG 402 TRP 571 CZ3 263 0.807E+00 0.605E-02 -0.349E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1036 GLU 630 CG 402 TRP 571 CH2 264 0.787E+00 0.513E-02 -0.408E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1037 GLU 630 CG 402 TRP 571 HE1 266 0.892E+00 -0.100E-01 -0.664E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1038 GLU 630 CD 403 LEU 568 CB 229 0.970E+00 -0.887E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1039 GLU 630 CD 403 LEU 568 CG 230 0.896E+00 0.134E+00 -0.187E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1040 GLU 630 CD 403 LEU 568 CD1 231 0.842E+00 -0.949E-01 -0.272E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1041 GLU 630 CD 403 LEU 568 CD2 232 0.806E+00 -0.102E+00 -0.353E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1042 GLU 630 CD 403 TRP 571 CG 256 0.104E+01 -0.556E-01 -0.682E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1043 GLU 630 CD 403 TRP 571 CD2 258 0.988E+00 0.539E-01 -0.928E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1044 GLU 630 CD 403 TRP 571 NE1 259 0.102E+01 -0.171E+00 -0.947E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1045 GLU 630 CD 403 TRP 571 CE2 260 0.975E+00 0.867E-01 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1046 GLU 630 CD 403 TRP 571 CE3 261 0.974E+00 -0.942E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1047 GLU 630 CD 403 TRP 571 CZ2 262 0.948E+00 -0.134E+00 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1048 GLU 630 CD 403 TRP 571 CZ3 263 0.949E+00 -0.104E+00 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1049 GLU 630 CD 403 TRP 571 CH2 264 0.935E+00 -0.865E-01 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1050 GLU 630 CD 403 TRP 571 HE1 266 0.103E+01 0.180E+00 -0.243E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1051 GLU 630 OE1 404 LEU 568 CB 229 0.104E+01 0.858E-01 -0.789E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1052 GLU 630 OE1 404 LEU 568 CG 230 0.974E+00 -0.127E+00 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1053 GLU 630 OE1 404 LEU 568 CD1 231 0.906E+00 0.907E-01 -0.184E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1054 GLU 630 OE1 404 LEU 568 CD2 232 0.896E+00 0.922E-01 -0.196E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1055 GLU 630 OE1 404 TRP 571 CE3 261 0.105E+01 0.911E-01 -0.679E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1056 GLU 630 OE1 404 TRP 571 CZ2 262 0.103E+01 0.129E+00 -0.770E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1057 GLU 630 OE1 404 TRP 571 CZ3 263 0.101E+01 0.102E+00 -0.836E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1058 GLU 630 OE1 404 TRP 571 CH2 264 0.100E+01 0.841E-01 -0.895E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1059 GLU 630 OE2 405 LEU 568 CA 226 0.104E+01 0.603E-01 -0.793E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1060 GLU 630 OE2 405 LEU 568 CB 229 0.961E+00 0.968E-01 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1061 GLU 630 OE2 405 LEU 568 CG 230 0.871E+00 -0.151E+00 -0.232E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1062 GLU 630 OE2 405 LEU 568 CD1 231 0.819E+00 0.107E+00 -0.336E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1063 GLU 630 OE2 405 LEU 568 CD2 232 0.776E+00 0.118E+00 -0.464E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1064 GLU 630 OE2 405 TRP 571 CD2 258 0.102E+01 -0.554E-01 -0.799E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1065 GLU 630 OE2 405 TRP 571 NE1 259 0.104E+01 0.178E+00 -0.864E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1066 GLU 630 OE2 405 TRP 571 CE2 260 0.101E+01 -0.886E-01 -0.846E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1067 GLU 630 OE2 405 TRP 571 CE3 261 0.102E+01 0.949E-01 -0.806E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1068 GLU 630 OE2 405 TRP 571 CZ2 262 0.999E+00 0.134E+00 -0.909E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1069 GLU 630 OE2 405 TRP 571 CZ3 263 0.101E+01 0.103E+00 -0.855E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1070 GLU 630 OE2 405 TRP 571 CH2 264 0.998E+00 0.845E-01 -0.911E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1071 TRP 631 N 407 HIS 564 O 185 0.103E+01 0.166E+00 -0.912E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1072 TRP 631 N 407 LEU 565 CD2 202 0.103E+01 0.387E-01 -0.991E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1073 TRP 631 N 407 GLN 567 C 215 0.102E+01 -0.133E+00 -0.927E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1074 TRP 631 N 407 GLN 567 O 216 0.101E+01 0.183E+00 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1075 TRP 631 N 407 LEU 568 N 225 0.941E+00 0.128E+00 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1076 TRP 631 N 407 LEU 568 CA 226 0.809E+00 0.467E-01 -0.424E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1077 TRP 631 N 407 LEU 568 C 227 0.843E+00 -0.247E+00 -0.294E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1078 TRP 631 N 407 LEU 568 O 228 0.802E+00 0.262E+00 -0.412E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1079 TRP 631 N 407 LEU 568 CB 229 0.736E+00 0.790E-01 -0.745E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1080 TRP 631 N 407 LEU 568 CG 230 0.739E+00 -0.105E+00 -0.730E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1081 TRP 631 N 407 LEU 568 CD1 231 0.702E+00 0.739E-01 -0.990E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1082 TRP 631 N 407 LEU 568 CD2 232 0.684E+00 0.777E-01 -0.116E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1083 TRP 631 N 407 THR 569 N 234 0.947E+00 0.875E-01 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1084 TRP 631 N 407 THR 569 CA 235 0.102E+01 0.870E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1085 TRP 631 N 407 TRP 571 N 251 0.103E+01 0.135E+00 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1086 TRP 631 N 407 TRP 571 CA 252 0.961E+00 0.698E-02 -0.151E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1087 TRP 631 N 407 TRP 571 C 253 0.933E+00 -0.214E+00 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1088 TRP 631 N 407 TRP 571 O 254 0.973E+00 0.170E+00 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1089 TRP 631 N 407 TRP 571 CB 255 0.841E+00 0.424E-01 -0.338E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1090 TRP 631 N 407 TRP 571 CG 256 0.778E+00 0.495E-01 -0.475E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1091 TRP 631 N 407 TRP 571 CD1 257 0.845E+00 0.747E-01 -0.291E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1092 TRP 631 N 407 TRP 571 CD2 258 0.686E+00 -0.565E-01 -0.101E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1093 TRP 631 N 407 TRP 571 NE1 259 0.803E+00 0.140E+00 -0.484E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1094 TRP 631 N 407 TRP 571 CE2 260 0.708E+00 -0.838E-01 -0.832E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1095 TRP 631 N 407 TRP 571 CE3 261 0.616E+00 0.120E+00 -0.190E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1096 TRP 631 N 407 TRP 571 CZ2 262 0.666E+00 0.140E+00 -0.119E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1097 TRP 631 N 407 TRP 571 CZ3 263 0.568E+00 0.153E+00 -0.303E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1098 TRP 631 N 407 TRP 571 CH2 264 0.596E+00 0.112E+00 -0.230E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1099 TRP 631 N 407 TRP 571 HE1 266 0.851E+00 -0.137E+00 -0.898E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1100 TRP 631 N 407 GLY 572 N 267 0.898E+00 0.145E+00 -0.248E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1101 TRP 631 N 407 GLY 572 CA 268 0.898E+00 0.501E-01 -0.227E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1102 TRP 631 N 407 GLY 572 C 269 0.104E+01 -0.180E+00 -0.833E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1103 TRP 631 N 407 GLN 575 CB 298 0.103E+01 0.100E-01 -0.982E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1104 TRP 631 N 407 GLN 575 CG 299 0.939E+00 0.723E-02 -0.174E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1105 TRP 631 N 407 GLN 575 CD 300 0.991E+00 -0.223E+00 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1106 TRP 631 N 407 GLN 575 OE1 301 0.102E+01 0.202E+00 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1107 TRP 631 N 407 GLN 575 NE2 302 0.103E+01 0.278E+00 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1108 TRP 631 CA 408 HIS 564 C 184 0.999E+00 -0.102E-01 -0.976E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1109 TRP 631 CA 408 HIS 564 O 185 0.917E+00 0.929E-02 -0.171E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1110 TRP 631 CA 408 LEU 565 N 195 0.103E+01 0.522E-02 -0.996E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1111 TRP 631 CA 408 LEU 565 CA 196 0.978E+00 0.161E-02 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1112 TRP 631 CA 408 LEU 565 C 197 0.101E+01 -0.872E-02 -0.932E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1113 TRP 631 CA 408 LEU 565 O 198 0.933E+00 0.954E-02 -0.154E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1114 TRP 631 CA 408 LEU 565 CD2 202 0.909E+00 0.219E-02 -0.194E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1115 TRP 631 CA 408 GLN 567 CA 214 0.104E+01 -0.537E-03 -0.863E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1116 TRP 631 CA 408 GLN 567 C 215 0.905E+00 -0.751E-02 -0.177E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1117 TRP 631 CA 408 GLN 567 O 216 0.897E+00 0.103E-01 -0.195E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1118 TRP 631 CA 408 LEU 568 N 225 0.817E+00 0.755E-02 -0.401E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1119 TRP 631 CA 408 LEU 568 CA 226 0.683E+00 0.299E-02 -0.107E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1120 TRP 631 CA 408 LEU 568 C 227 0.711E+00 -0.157E-01 -0.747E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1121 TRP 631 CA 408 LEU 568 O 228 0.675E+00 0.169E-01 -0.106E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1122 TRP 631 CA 408 LEU 568 CB 229 0.606E+00 0.545E-02 -0.215E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1123 TRP 631 CA 408 LEU 568 CG 230 0.623E+00 -0.684E-02 -0.182E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1124 TRP 631 CA 408 LEU 568 CD1 231 0.590E+00 0.493E-02 -0.251E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1125 TRP 631 CA 408 LEU 568 CD2 232 0.586E+00 0.500E-02 -0.262E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1126 TRP 631 CA 408 THR 569 N 234 0.810E+00 0.529E-02 -0.422E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1127 TRP 631 CA 408 THR 569 CA 235 0.879E+00 0.509E-02 -0.237E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1128 TRP 631 CA 408 THR 569 C 236 0.951E+00 -0.928E-02 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1129 TRP 631 CA 408 THR 569 O 237 0.967E+00 0.892E-02 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1130 TRP 631 CA 408 THR 569 CB 238 0.998E+00 -0.367E-02 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1131 TRP 631 CA 408 THR 569 CG2 240 0.967E+00 0.284E-02 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1132 TRP 631 CA 408 VAL 570 N 243 0.101E+01 0.682E-02 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1133 TRP 631 CA 408 VAL 570 C 245 0.103E+01 -0.655E-02 -0.799E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1134 TRP 631 CA 408 TRP 571 N 251 0.924E+00 0.742E-02 -0.192E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1135 TRP 631 CA 408 TRP 571 CA 252 0.869E+00 0.383E-03 -0.254E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1136 TRP 631 CA 408 TRP 571 C 253 0.841E+00 -0.118E-01 -0.274E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1137 TRP 631 CA 408 TRP 571 O 254 0.894E+00 0.905E-02 -0.200E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1138 TRP 631 CA 408 TRP 571 CB 255 0.754E+00 0.240E-02 -0.591E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1139 TRP 631 CA 408 TRP 571 CG 256 0.713E+00 0.272E-02 -0.730E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1140 TRP 631 CA 408 TRP 571 CD1 257 0.797E+00 0.386E-02 -0.376E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1141 TRP 631 CA 408 TRP 571 CD2 258 0.629E+00 -0.315E-02 -0.154E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1142 TRP 631 CA 408 TRP 571 NE1 259 0.775E+00 0.695E-02 -0.549E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1143 TRP 631 CA 408 TRP 571 CE2 260 0.679E+00 -0.426E-02 -0.981E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1144 TRP 631 CA 408 TRP 571 CE3 261 0.548E+00 0.724E-02 -0.337E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1145 TRP 631 CA 408 TRP 571 CZ2 262 0.658E+00 0.672E-02 -0.117E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1146 TRP 631 CA 408 TRP 571 CZ3 263 0.524E+00 0.856E-02 -0.435E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1147 TRP 631 CA 408 TRP 571 CH2 264 0.584E+00 0.545E-02 -0.237E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1148 TRP 631 CA 408 TRP 571 HE1 266 0.837E+00 -0.656E-02 -0.974E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1149 TRP 631 CA 408 GLY 572 N 267 0.793E+00 0.837E-02 -0.478E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1150 TRP 631 CA 408 GLY 572 CA 268 0.797E+00 0.286E-02 -0.425E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1151 TRP 631 CA 408 GLY 572 C 269 0.944E+00 -0.975E-02 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1152 TRP 631 CA 408 GLY 572 O 270 0.992E+00 0.792E-02 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1153 TRP 631 CA 408 ILE 573 N 272 0.103E+01 0.663E-02 -0.996E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1154 TRP 631 CA 408 GLN 575 CB 298 0.988E+00 0.501E-03 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1155 TRP 631 CA 408 GLN 575 CG 299 0.902E+00 0.360E-03 -0.203E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1156 TRP 631 CA 408 GLN 575 CD 300 0.973E+00 -0.107E-01 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1157 TRP 631 CA 408 GLN 575 OE1 301 0.101E+01 0.951E-02 -0.954E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1158 TRP 631 CA 408 GLN 575 NE2 302 0.101E+01 0.133E-01 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1159 TRP 631 C 409 HIS 564 C 184 0.100E+01 0.297E+00 -0.861E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1160 TRP 631 C 409 HIS 564 O 185 0.931E+00 -0.265E+00 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1161 TRP 631 C 409 LEU 565 N 195 0.101E+01 -0.156E+00 -0.981E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1162 TRP 631 C 409 LEU 565 CA 196 0.950E+00 -0.490E-01 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1163 TRP 631 C 409 LEU 565 C 197 0.992E+00 0.260E+00 -0.904E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1164 TRP 631 C 409 LEU 565 O 198 0.922E+00 -0.284E+00 -0.147E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1165 TRP 631 C 409 LEU 565 CB 199 0.102E+01 -0.631E-01 -0.879E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1166 TRP 631 C 409 LEU 565 CG 200 0.984E+00 0.883E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1167 TRP 631 C 409 LEU 565 CD2 202 0.836E+00 -0.734E-01 -0.284E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1168 TRP 631 C 409 GLN 567 C 215 0.959E+00 0.200E+00 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1169 TRP 631 C 409 GLN 567 O 216 0.964E+00 -0.268E+00 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1170 TRP 631 C 409 LEU 568 N 225 0.856E+00 -0.204E+00 -0.269E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1171 TRP 631 C 409 LEU 568 CA 226 0.725E+00 -0.777E-01 -0.662E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1172 TRP 631 C 409 LEU 568 C 227 0.747E+00 0.417E+00 -0.492E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1173 TRP 631 C 409 LEU 568 O 228 0.726E+00 -0.428E+00 -0.610E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1174 TRP 631 C 409 LEU 568 CB 229 0.626E+00 -0.149E+00 -0.158E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1175 TRP 631 C 409 LEU 568 CG 230 0.646E+00 0.186E+00 -0.132E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1176 TRP 631 C 409 LEU 568 CD1 231 0.583E+00 -0.148E+00 -0.239E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1177 TRP 631 C 409 LEU 568 CD2 232 0.641E+00 -0.121E+00 -0.138E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1178 TRP 631 C 409 THR 569 N 234 0.828E+00 -0.149E+00 -0.329E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1179 TRP 631 C 409 THR 569 CA 235 0.892E+00 -0.145E+00 -0.193E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1180 TRP 631 C 409 THR 569 C 236 0.984E+00 0.258E+00 -0.951E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1181 TRP 631 C 409 THR 569 O 237 0.100E+01 -0.247E+00 -0.886E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1182 TRP 631 C 409 THR 569 CB 238 0.993E+00 0.108E+00 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1183 TRP 631 C 409 THR 569 CG2 240 0.940E+00 -0.868E-01 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1184 TRP 631 C 409 TRP 571 N 251 0.100E+01 -0.191E+00 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1185 TRP 631 C 409 TRP 571 CA 252 0.965E+00 -0.947E-02 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1186 TRP 631 C 409 TRP 571 C 253 0.931E+00 0.292E+00 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1187 TRP 631 C 409 TRP 571 O 254 0.991E+00 -0.225E+00 -0.953E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1188 TRP 631 C 409 TRP 571 CB 255 0.860E+00 -0.557E-01 -0.240E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1189 TRP 631 C 409 TRP 571 CG 256 0.836E+00 -0.597E-01 -0.252E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1190 TRP 631 C 409 TRP 571 CD1 257 0.930E+00 -0.872E-01 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1191 TRP 631 C 409 TRP 571 CD2 258 0.753E+00 0.646E-01 -0.470E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1192 TRP 631 C 409 TRP 571 NE1 259 0.915E+00 -0.153E+00 -0.181E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1193 TRP 631 C 409 TRP 571 CE2 260 0.815E+00 0.884E-01 -0.293E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1194 TRP 631 C 409 TRP 571 CE3 261 0.660E+00 -0.142E+00 -0.103E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1195 TRP 631 C 409 TRP 571 CZ2 262 0.795E+00 -0.137E+00 -0.339E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1196 TRP 631 C 409 TRP 571 CZ3 263 0.636E+00 -0.164E+00 -0.127E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1197 TRP 631 C 409 TRP 571 CH2 264 0.709E+00 -0.107E+00 -0.670E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1198 TRP 631 C 409 TRP 571 HE1 266 0.981E+00 0.149E+00 -0.332E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1199 TRP 631 C 409 GLY 572 N 267 0.865E+00 -0.211E+00 -0.253E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1200 TRP 631 C 409 GLY 572 CA 268 0.858E+00 -0.737E-01 -0.243E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1201 TRP 631 C 409 GLY 572 C 269 0.100E+01 0.260E+00 -0.848E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1202 TRP 631 C 409 GLN 575 CG 299 0.101E+01 -0.880E-02 -0.893E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1203 TRP 631 O 410 HIS 564 CA 183 0.102E+01 -0.115E-01 -0.921E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1204 TRP 631 O 410 HIS 564 C 184 0.907E+00 -0.293E+00 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1205 TRP 631 O 410 HIS 564 O 185 0.846E+00 0.262E+00 -0.249E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1206 TRP 631 O 410 HIS 564 CB 186 0.986E+00 0.591E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1207 TRP 631 O 410 LEU 565 N 195 0.911E+00 0.156E+00 -0.192E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1208 TRP 631 O 410 LEU 565 CA 196 0.848E+00 0.498E-01 -0.273E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1209 TRP 631 O 410 LEU 565 C 197 0.901E+00 -0.256E+00 -0.168E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1210 TRP 631 O 410 LEU 565 O 198 0.839E+00 0.280E+00 -0.262E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1211 TRP 631 O 410 LEU 565 CB 199 0.909E+00 0.634E-01 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1212 TRP 631 O 410 LEU 565 CG 200 0.869E+00 -0.909E-01 -0.235E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1213 TRP 631 O 410 LEU 565 CD1 201 0.942E+00 0.512E-01 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1214 TRP 631 O 410 LEU 565 CD2 202 0.720E+00 0.813E-01 -0.723E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1215 TRP 631 O 410 LEU 566 N 204 0.103E+01 0.129E+00 -0.911E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1216 TRP 631 O 410 GLN 567 N 213 0.105E+01 0.138E+00 -0.829E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1217 TRP 631 O 410 GLN 567 CA 214 0.103E+01 -0.134E-01 -0.832E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1218 TRP 631 O 410 GLN 567 C 215 0.911E+00 -0.184E+00 -0.157E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1219 TRP 631 O 410 GLN 567 O 216 0.931E+00 0.240E+00 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1220 TRP 631 O 410 LEU 568 N 225 0.799E+00 0.194E+00 -0.423E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1221 TRP 631 O 410 LEU 568 CA 226 0.677E+00 0.753E-01 -0.105E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1222 TRP 631 O 410 LEU 568 C 227 0.708E+00 -0.391E+00 -0.711E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1223 TRP 631 O 410 LEU 568 O 228 0.707E+00 0.382E+00 -0.730E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1224 TRP 631 O 410 LEU 568 CB 229 0.560E+00 0.160E+00 -0.318E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1225 TRP 631 O 410 LEU 568 CG 230 0.572E+00 -0.204E+00 -0.283E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1226 TRP 631 O 410 LEU 568 CD1 231 0.491E+00 0.185E+00 -0.675E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1227 TRP 631 O 410 LEU 568 CD2 232 0.588E+00 0.123E+00 -0.240E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1228 TRP 631 O 410 THR 569 N 234 0.778E+00 0.140E+00 -0.493E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1229 TRP 631 O 410 THR 569 CA 235 0.851E+00 0.133E+00 -0.267E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1230 TRP 631 O 410 THR 569 C 236 0.956E+00 -0.228E+00 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1231 TRP 631 O 410 THR 569 O 237 0.988E+00 0.214E+00 -0.986E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1232 TRP 631 O 410 THR 569 CB 238 0.940E+00 -0.994E-01 -0.147E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1233 TRP 631 O 410 THR 569 OG1 239 0.103E+01 0.219E+00 -0.855E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1234 TRP 631 O 410 THR 569 CG2 240 0.875E+00 0.824E-01 -0.226E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1235 TRP 631 O 410 THR 569 HG1 242 0.993E+00 -0.156E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1236 TRP 631 O 410 VAL 570 N 243 0.102E+01 0.166E+00 -0.956E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1237 TRP 631 O 410 TRP 571 N 251 0.100E+01 0.163E+00 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1238 TRP 631 O 410 TRP 571 CA 252 0.977E+00 0.788E-02 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1239 TRP 631 O 410 TRP 571 C 253 0.953E+00 -0.239E+00 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1240 TRP 631 O 410 TRP 571 O 254 0.103E+01 0.181E+00 -0.786E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1241 TRP 631 O 410 TRP 571 CB 255 0.873E+00 0.461E-01 -0.229E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1242 TRP 631 O 410 TRP 571 CG 256 0.869E+00 0.474E-01 -0.209E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1243 TRP 631 O 410 TRP 571 CD1 257 0.968E+00 0.695E-01 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1244 TRP 631 O 410 TRP 571 CD2 258 0.802E+00 -0.489E-01 -0.339E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1245 TRP 631 O 410 TRP 571 NE1 259 0.968E+00 0.119E+00 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1246 TRP 631 O 410 TRP 571 CE2 260 0.876E+00 -0.664E-01 -0.199E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1247 TRP 631 O 410 TRP 571 CE3 261 0.714E+00 0.103E+00 -0.677E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1248 TRP 631 O 410 TRP 571 CZ2 262 0.873E+00 0.992E-01 -0.204E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1249 TRP 631 O 410 TRP 571 CZ3 263 0.710E+00 0.111E+00 -0.697E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1250 TRP 631 O 410 TRP 571 CH2 264 0.794E+00 0.735E-01 -0.359E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1251 TRP 631 O 410 TRP 571 HE1 266 0.104E+01 -0.116E+00 -0.198E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1252 TRP 631 O 410 GLY 572 N 267 0.881E+00 0.173E+00 -0.234E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1253 TRP 631 O 410 GLY 572 CA 268 0.884E+00 0.594E-01 -0.212E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1254 TRP 631 O 410 GLY 572 C 269 0.103E+01 -0.212E+00 -0.754E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1255 TRP 631 CB 411 HIS 564 C 184 0.104E+01 -0.471E-01 -0.763E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1256 TRP 631 CB 411 HIS 564 O 185 0.948E+00 0.432E-01 -0.140E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1257 TRP 631 CB 411 LEU 565 CA 196 0.101E+01 0.750E-02 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1258 TRP 631 CB 411 LEU 565 C 197 0.102E+01 -0.421E-01 -0.880E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1259 TRP 631 CB 411 LEU 565 O 198 0.928E+00 0.471E-01 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1260 TRP 631 CB 411 LEU 565 CD2 202 0.965E+00 0.978E-02 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1261 TRP 631 CB 411 GLN 567 CA 214 0.102E+01 -0.270E-02 -0.966E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1262 TRP 631 CB 411 GLN 567 C 215 0.877E+00 -0.387E-01 -0.213E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1263 TRP 631 CB 411 GLN 567 O 216 0.850E+00 0.550E-01 -0.269E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1264 TRP 631 CB 411 LEU 568 N 225 0.800E+00 0.383E-01 -0.453E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1265 TRP 631 CB 411 LEU 568 CA 226 0.659E+00 0.157E-01 -0.132E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1266 TRP 631 CB 411 LEU 568 C 227 0.659E+00 -0.892E-01 -0.117E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1267 TRP 631 CB 411 LEU 568 O 228 0.600E+00 0.106E+00 -0.214E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1268 TRP 631 CB 411 LEU 568 CB 229 0.610E+00 0.263E-01 -0.206E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1269 TRP 631 CB 411 LEU 568 CG 230 0.659E+00 -0.299E-01 -0.131E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1270 TRP 631 CB 411 LEU 568 CD1 231 0.655E+00 0.194E-01 -0.136E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1271 TRP 631 CB 411 LEU 568 CD2 232 0.621E+00 0.216E-01 -0.185E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1272 TRP 631 CB 411 THR 569 N 234 0.760E+00 0.290E-01 -0.618E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1273 TRP 631 CB 411 THR 569 CA 235 0.810E+00 0.286E-01 -0.386E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1274 TRP 631 CB 411 THR 569 C 236 0.867E+00 -0.527E-01 -0.228E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1275 TRP 631 CB 411 THR 569 O 237 0.867E+00 0.520E-01 -0.239E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1276 TRP 631 CB 411 THR 569 CB 238 0.939E+00 -0.197E-01 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1277 TRP 631 CB 411 THR 569 OG1 239 0.103E+01 0.432E-01 -0.918E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1278 TRP 631 CB 411 THR 569 CG2 240 0.925E+00 0.149E-01 -0.175E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1279 TRP 631 CB 411 THR 569 HG1 242 0.101E+01 -0.300E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1280 TRP 631 CB 411 VAL 570 N 243 0.933E+00 0.377E-01 -0.181E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1281 TRP 631 CB 411 VAL 570 CA 244 0.101E+01 0.385E-02 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1282 TRP 631 CB 411 VAL 570 C 245 0.935E+00 -0.373E-01 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1283 TRP 631 CB 411 VAL 570 O 246 0.985E+00 0.312E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1284 TRP 631 CB 411 TRP 571 N 251 0.832E+00 0.431E-01 -0.358E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1285 TRP 631 CB 411 TRP 571 CA 252 0.768E+00 0.232E-02 -0.531E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1286 TRP 631 CB 411 TRP 571 C 253 0.721E+00 -0.763E-01 -0.686E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1287 TRP 631 CB 411 TRP 571 O 254 0.764E+00 0.580E-01 -0.509E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1288 TRP 631 CB 411 TRP 571 CB 255 0.667E+00 0.149E-01 -0.123E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1289 TRP 631 CB 411 TRP 571 CG 256 0.616E+00 0.179E-01 -0.172E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1290 TRP 631 CB 411 TRP 571 CD1 257 0.709E+00 0.234E-01 -0.756E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1291 TRP 631 CB 411 TRP 571 CD2 258 0.516E+00 -0.239E-01 -0.475E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1292 TRP 631 CB 411 TRP 571 NE1 259 0.682E+00 0.434E-01 -0.118E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1293 TRP 631 CB 411 TRP 571 CE2 260 0.571E+00 -0.299E-01 -0.267E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1294 TRP 631 CB 411 TRP 571 CE3 261 0.417E+00 0.687E-01 -0.130E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1295 TRP 631 CB 411 TRP 571 CZ2 262 0.545E+00 0.493E-01 -0.349E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1296 TRP 631 CB 411 TRP 571 CZ3 263 0.382E+00 0.924E-01 -0.157E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1297 TRP 631 CB 411 TRP 571 CH2 264 0.455E+00 0.477E-01 -0.906E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1298 TRP 631 CB 411 TRP 571 HE1 266 0.749E+00 -0.391E-01 -0.189E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1299 TRP 631 CB 411 GLY 572 N 267 0.672E+00 0.560E-01 -0.128E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1300 TRP 631 CB 411 GLY 572 CA 268 0.663E+00 0.198E-01 -0.127E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1301 TRP 631 CB 411 GLY 572 C 269 0.806E+00 -0.619E-01 -0.353E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1302 TRP 631 CB 411 GLY 572 O 270 0.846E+00 0.499E-01 -0.276E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1303 TRP 631 CB 411 ILE 573 N 272 0.901E+00 0.399E-01 -0.223E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1304 TRP 631 CB 411 ILE 573 CA 273 0.104E+01 0.724E-02 -0.855E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1305 TRP 631 CB 411 GLN 575 N 294 0.997E+00 0.293E-01 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1306 TRP 631 CB 411 GLN 575 CA 295 0.978E+00 -0.288E-02 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1307 TRP 631 CB 411 GLN 575 CB 298 0.840E+00 0.318E-02 -0.311E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1308 TRP 631 CB 411 GLN 575 CG 299 0.761E+00 0.236E-02 -0.560E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1309 TRP 631 CB 411 GLN 575 CD 300 0.840E+00 -0.664E-01 -0.277E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1310 TRP 631 CB 411 GLN 575 OE1 301 0.877E+00 0.580E-01 -0.222E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1311 TRP 631 CB 411 GLN 575 NE2 302 0.891E+00 0.796E-01 -0.239E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1312 TRP 631 CB 411 LEU 576 N 306 0.105E+01 0.250E-01 -0.897E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1313 TRP 631 CB 411 LEU 576 CG 311 0.101E+01 -0.143E-01 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1314 TRP 631 CB 411 LEU 576 CD1 312 0.104E+01 0.877E-02 -0.874E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1315 TRP 631 CB 411 LEU 576 CD2 313 0.101E+01 0.919E-02 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1316 TRP 631 CG 412 HIS 564 C 184 0.960E+00 -0.541E-01 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1317 TRP 631 CG 412 HIS 564 O 185 0.866E+00 0.509E-01 -0.213E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1318 TRP 631 CG 412 LEU 565 N 195 0.984E+00 0.280E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1319 TRP 631 CG 412 LEU 565 CA 196 0.906E+00 0.903E-02 -0.175E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1320 TRP 631 CG 412 LEU 565 C 197 0.900E+00 -0.518E-01 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1321 TRP 631 CG 412 LEU 565 O 198 0.803E+00 0.611E-01 -0.335E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1322 TRP 631 CG 412 LEU 565 CB 199 0.991E+00 0.112E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1323 TRP 631 CG 412 LEU 565 CG 200 0.999E+00 -0.148E-01 -0.975E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1324 TRP 631 CG 412 LEU 565 CD2 202 0.871E+00 0.117E-01 -0.221E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1325 TRP 631 CG 412 LEU 566 N 204 0.102E+01 0.266E-01 -0.953E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1326 TRP 631 CG 412 LEU 566 C 206 0.978E+00 -0.455E-01 -0.985E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1327 TRP 631 CG 412 LEU 566 O 207 0.944E+00 0.468E-01 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1328 TRP 631 CG 412 GLN 567 N 213 0.968E+00 0.312E-01 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1329 TRP 631 CG 412 GLN 567 CA 214 0.925E+00 -0.320E-02 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1330 TRP 631 CG 412 GLN 567 C 215 0.779E+00 -0.484E-01 -0.384E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1331 TRP 631 CG 412 GLN 567 O 216 0.754E+00 0.693E-01 -0.490E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1332 TRP 631 CG 412 GLN 567 CB 217 0.974E+00 0.256E-02 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1333 TRP 631 CG 412 LEU 568 N 225 0.698E+00 0.503E-01 -0.907E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1334 TRP 631 CG 412 LEU 568 CA 226 0.554E+00 0.232E-01 -0.318E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1335 TRP 631 CG 412 LEU 568 C 227 0.532E+00 -0.144E+00 -0.354E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1336 TRP 631 CG 412 LEU 568 O 228 0.474E+00 0.185E+00 -0.722E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1337 TRP 631 CG 412 LEU 568 CB 229 0.511E+00 0.398E-01 -0.497E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1338 TRP 631 CG 412 LEU 568 CG 230 0.590E+00 -0.384E-01 -0.222E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1339 TRP 631 CG 412 LEU 568 CD1 231 0.598E+00 0.239E-01 -0.206E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1340 TRP 631 CG 412 LEU 568 CD2 232 0.579E+00 0.256E-01 -0.248E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1341 TRP 631 CG 412 THR 569 N 234 0.623E+00 0.437E-01 -0.178E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1342 TRP 631 CG 412 THR 569 CA 235 0.663E+00 0.425E-01 -0.112E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1343 TRP 631 CG 412 THR 569 C 236 0.727E+00 -0.734E-01 -0.576E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1344 TRP 631 CG 412 THR 569 O 237 0.729E+00 0.721E-01 -0.599E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1345 TRP 631 CG 412 THR 569 CB 238 0.789E+00 -0.269E-01 -0.401E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1346 TRP 631 CG 412 THR 569 OG1 239 0.890E+00 0.555E-01 -0.201E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1347 TRP 631 CG 412 THR 569 CG2 240 0.775E+00 0.205E-01 -0.446E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1348 TRP 631 CG 412 THR 569 HG1 242 0.871E+00 -0.386E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1349 TRP 631 CG 412 VAL 570 N 243 0.803E+00 0.493E-01 -0.395E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1350 TRP 631 CG 412 VAL 570 CA 244 0.890E+00 0.478E-02 -0.195E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1351 TRP 631 CG 412 VAL 570 C 245 0.825E+00 -0.466E-01 -0.271E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1352 TRP 631 CG 412 VAL 570 O 246 0.880E+00 0.379E-01 -0.193E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1353 TRP 631 CG 412 VAL 570 CB 247 0.995E+00 -0.306E-01 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1354 TRP 631 CG 412 TRP 571 N 251 0.732E+00 0.554E-01 -0.683E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1355 TRP 631 CG 412 TRP 571 CA 252 0.686E+00 0.293E-02 -0.918E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1356 TRP 631 CG 412 TRP 571 C 253 0.633E+00 -0.101E+00 -0.131E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1357 TRP 631 CG 412 TRP 571 O 254 0.692E+00 0.714E-01 -0.816E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1358 TRP 631 CG 412 TRP 571 CB 255 0.602E+00 0.188E-01 -0.198E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1359 TRP 631 CG 412 TRP 571 CG 256 0.583E+00 0.206E-01 -0.212E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1360 TRP 631 CG 412 TRP 571 CD1 257 0.696E+00 0.248E-01 -0.749E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1361 TRP 631 CG 412 TRP 571 CD2 258 0.494E+00 -0.269E-01 -0.528E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1362 TRP 631 CG 412 TRP 571 NE1 259 0.692E+00 0.430E-01 -0.955E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1363 TRP 631 CG 412 TRP 571 CE2 260 0.583E+00 -0.291E-01 -0.210E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1364 TRP 631 CG 412 TRP 571 CE3 261 0.383E+00 0.878E-01 -0.140E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1365 TRP 631 CG 412 TRP 571 CZ2 262 0.583E+00 0.433E-01 -0.210E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1366 TRP 631 CG 412 TRP 571 CZ3 263 0.383E+00 0.935E-01 -0.140E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1367 TRP 631 CG 412 TRP 571 CH2 264 0.493E+00 0.400E-01 -0.535E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1368 TRP 631 CG 412 TRP 571 HE1 266 0.773E+00 -0.377E-01 -0.139E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1369 TRP 631 CG 412 GLY 572 N 267 0.564E+00 0.828E-01 -0.317E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1370 TRP 631 CG 412 GLY 572 CA 268 0.553E+00 0.298E-01 -0.321E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1371 TRP 631 CG 412 GLY 572 C 269 0.699E+00 -0.821E-01 -0.729E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1372 TRP 631 CG 412 GLY 572 O 270 0.754E+00 0.624E-01 -0.490E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1373 TRP 631 CG 412 ILE 573 N 272 0.784E+00 0.515E-01 -0.455E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1374 TRP 631 CG 412 ILE 573 CA 273 0.927E+00 0.880E-02 -0.153E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1375 TRP 631 CG 412 ILE 573 C 274 0.994E+00 -0.441E-01 -0.892E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1376 TRP 631 CG 412 ILE 573 CB 276 0.101E+01 -0.468E-02 -0.898E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1377 TRP 631 CG 412 ILE 573 CG1 277 0.992E+00 -0.171E-02 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1378 TRP 631 CG 412 LYS 574 N 281 0.988E+00 0.342E-01 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1379 TRP 631 CG 412 GLN 575 N 294 0.937E+00 0.328E-01 -0.156E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1380 TRP 631 CG 412 GLN 575 CA 295 0.935E+00 -0.315E-02 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1381 TRP 631 CG 412 GLN 575 C 296 0.101E+01 -0.317E-01 -0.808E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1382 TRP 631 CG 412 GLN 575 CB 298 0.805E+00 0.349E-02 -0.356E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1383 TRP 631 CG 412 GLN 575 CG 299 0.742E+00 0.253E-02 -0.578E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1384 TRP 631 CG 412 GLN 575 CD 300 0.843E+00 -0.672E-01 -0.239E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1385 TRP 631 CG 412 GLN 575 OE1 301 0.895E+00 0.573E-01 -0.175E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1386 TRP 631 CG 412 GLN 575 NE2 302 0.896E+00 0.804E-01 -0.204E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1387 TRP 631 CG 412 LEU 576 N 306 0.986E+00 0.279E-01 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1388 TRP 631 CG 412 LEU 576 CG 311 0.928E+00 -0.165E-01 -0.152E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1389 TRP 631 CG 412 LEU 576 CD1 312 0.945E+00 0.103E-01 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1390 TRP 631 CG 412 LEU 576 CD2 313 0.946E+00 0.103E-01 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1391 TRP 631 CD1 413 HIS 564 CA 183 0.981E+00 -0.427E-02 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1392 TRP 631 CD1 413 HIS 564 C 184 0.860E+00 -0.112E+00 -0.212E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1393 TRP 631 CD1 413 HIS 564 O 185 0.759E+00 0.111E+00 -0.468E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1394 TRP 631 CD1 413 HIS 564 CB 186 0.101E+01 0.201E-01 -0.931E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1395 TRP 631 CD1 413 LEU 565 N 195 0.893E+00 0.565E-01 -0.208E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1396 TRP 631 CD1 413 LEU 565 CA 196 0.821E+00 0.185E-01 -0.317E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1397 TRP 631 CD1 413 LEU 565 C 197 0.802E+00 -0.109E+00 -0.323E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1398 TRP 631 CD1 413 LEU 565 O 198 0.703E+00 0.136E+00 -0.742E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1399 TRP 631 CD1 413 LEU 565 CB 199 0.919E+00 0.219E-01 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1400 TRP 631 CD1 413 LEU 565 CG 200 0.945E+00 -0.280E-01 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1401 TRP 631 CD1 413 LEU 565 CD1 201 0.102E+01 0.161E-01 -0.879E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1402 TRP 631 CD1 413 LEU 565 CD2 202 0.829E+00 0.222E-01 -0.298E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1403 TRP 631 CD1 413 LEU 566 N 204 0.913E+00 0.546E-01 -0.183E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1404 TRP 631 CD1 413 LEU 566 CA 205 0.938E+00 0.149E-01 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1405 TRP 631 CD1 413 LEU 566 C 206 0.856E+00 -0.979E-01 -0.219E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1406 TRP 631 CD1 413 LEU 566 O 207 0.821E+00 0.102E+00 -0.295E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1407 TRP 631 CD1 413 GLN 567 N 213 0.842E+00 0.679E-01 -0.296E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1408 TRP 631 CD1 413 GLN 567 CA 214 0.793E+00 -0.721E-02 -0.390E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1409 TRP 631 CD1 413 GLN 567 C 215 0.645E+00 -0.121E+00 -0.117E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1410 TRP 631 CD1 413 GLN 567 O 216 0.617E+00 0.179E+00 -0.160E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1411 TRP 631 CD1 413 GLN 567 CB 217 0.844E+00 0.560E-02 -0.268E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1412 TRP 631 CD1 413 GLN 567 CG 218 0.997E+00 0.269E-02 -0.988E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1413 TRP 631 CD1 413 GLN 567 OE1 220 0.102E+01 0.812E-01 -0.782E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1414 TRP 631 CD1 413 LEU 568 N 225 0.571E+00 0.133E+00 -0.295E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1415 TRP 631 CD1 413 LEU 568 CA 226 0.427E+00 0.756E-01 -0.120E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1416 TRP 631 CD1 413 LEU 568 C 227 0.408E+00 -0.482E+00 -0.125E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1417 TRP 631 CD1 413 LEU 568 O 228 0.349E+00 0.711E+00 -0.213E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1418 TRP 631 CD1 413 LEU 568 CB 229 0.404E+00 0.124E+00 -0.144E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1419 TRP 631 CD1 413 LEU 568 CG 230 0.494E+00 -0.100E+00 -0.598E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1420 TRP 631 CD1 413 LEU 568 CD1 231 0.531E+00 0.542E-01 -0.405E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1421 TRP 631 CD1 413 LEU 568 CD2 232 0.479E+00 0.689E-01 -0.699E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1422 TRP 631 CD1 413 THR 569 N 234 0.510E+00 0.118E+00 -0.556E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1423 TRP 631 CD1 413 THR 569 CA 235 0.564E+00 0.104E+00 -0.288E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1424 TRP 631 CD1 413 THR 569 C 236 0.620E+00 -0.175E+00 -0.148E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1425 TRP 631 CD1 413 THR 569 O 237 0.633E+00 0.166E+00 -0.138E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1426 TRP 631 CD1 413 THR 569 CB 238 0.699E+00 -0.586E-01 -0.824E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1427 TRP 631 CD1 413 THR 569 OG1 239 0.787E+00 0.119E+00 -0.416E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1428 TRP 631 CD1 413 THR 569 CG2 240 0.701E+00 0.431E-01 -0.810E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1429 TRP 631 CD1 413 THR 569 HG1 242 0.763E+00 -0.844E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1430 TRP 631 CD1 413 VAL 570 N 243 0.683E+00 0.116E+00 -0.103E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1431 TRP 631 CD1 413 VAL 570 CA 244 0.770E+00 0.107E-01 -0.463E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1432 TRP 631 CD1 413 VAL 570 C 245 0.707E+00 -0.107E+00 -0.679E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1433 TRP 631 CD1 413 VAL 570 O 246 0.772E+00 0.828E-01 -0.425E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1434 TRP 631 CD1 413 VAL 570 CB 247 0.867E+00 -0.660E-01 -0.228E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1435 TRP 631 CD1 413 VAL 570 CG1 248 0.970E+00 0.126E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1436 TRP 631 CD1 413 VAL 570 CG2 249 0.957E+00 0.129E-01 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1437 TRP 631 CD1 413 TRP 571 N 251 0.608E+00 0.140E+00 -0.204E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1438 TRP 631 CD1 413 TRP 571 CA 252 0.571E+00 0.749E-02 -0.269E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1439 TRP 631 CD1 413 TRP 571 C 253 0.536E+00 -0.252E+00 -0.339E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1440 TRP 631 CD1 413 TRP 571 O 254 0.610E+00 0.160E+00 -0.171E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1441 TRP 631 CD1 413 TRP 571 CB 255 0.483E+00 0.540E-01 -0.676E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1442 TRP 631 CD1 413 TRP 571 CG 256 0.486E+00 0.544E-01 -0.581E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1443 TRP 631 CD1 413 TRP 571 CD1 257 0.605E+00 0.573E-01 -0.170E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1444 TRP 631 CD1 413 TRP 571 CD2 258 0.423E+00 -0.690E-01 -0.110E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1445 TRP 631 CD1 413 TRP 571 NE1 259 0.624E+00 0.923E-01 -0.176E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1446 TRP 631 CD1 413 TRP 571 CE2 260 0.531E+00 -0.626E-01 -0.359E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1447 TRP 631 CD1 413 TRP 571 CE3 261 0.331E+00 0.226E+00 0.108E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1448 TRP 631 CD1 413 TRP 571 CZ2 262 0.563E+00 0.815E-01 -0.258E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1449 TRP 631 CD1 413 TRP 571 CZ3 263 0.381E+00 0.165E+00 -0.140E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1450 TRP 631 CD1 413 TRP 571 CH2 264 0.499E+00 0.678E-01 -0.505E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1451 TRP 631 CD1 413 TRP 571 HE1 266 0.712E+00 -0.765E-01 -0.228E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1452 TRP 631 CD1 413 GLY 572 N 267 0.472E+00 0.218E+00 -0.844E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1453 TRP 631 CD1 413 GLY 572 CA 268 0.492E+00 0.678E-01 -0.609E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1454 TRP 631 CD1 413 GLY 572 C 269 0.643E+00 -0.169E+00 -0.119E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1455 TRP 631 CD1 413 GLY 572 O 270 0.713E+00 0.120E+00 -0.680E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1456 TRP 631 CD1 413 ILE 573 N 272 0.713E+00 0.107E+00 -0.800E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1457 TRP 631 CD1 413 ILE 573 CA 273 0.859E+00 0.173E-01 -0.242E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1458 TRP 631 CD1 413 ILE 573 C 274 0.925E+00 -0.857E-01 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1459 TRP 631 CD1 413 ILE 573 O 275 0.102E+01 0.811E-01 -0.822E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1460 TRP 631 CD1 413 ILE 573 CB 276 0.933E+00 -0.921E-02 -0.147E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1461 TRP 631 CD1 413 ILE 573 CG1 277 0.916E+00 -0.337E-02 -0.165E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1462 TRP 631 CD1 413 ILE 573 CD1 279 0.994E+00 0.136E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1463 TRP 631 CD1 413 LYS 574 N 281 0.907E+00 0.677E-01 -0.190E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1464 TRP 631 CD1 413 LYS 574 CA 282 0.999E+00 0.523E-02 -0.978E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1465 TRP 631 CD1 413 LYS 574 C 283 0.992E+00 -0.982E-01 -0.906E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1466 TRP 631 CD1 413 LYS 574 CB 285 0.996E+00 0.145E-01 -0.996E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1467 TRP 631 CD1 413 LYS 574 CG 286 0.105E+01 -0.414E-02 -0.743E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1468 TRP 631 CD1 413 GLN 575 N 294 0.880E+00 0.631E-01 -0.227E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1469 TRP 631 CD1 413 GLN 575 CA 295 0.897E+00 -0.585E-02 -0.186E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1470 TRP 631 CD1 413 GLN 575 C 296 0.985E+00 -0.573E-01 -0.944E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1471 TRP 631 CD1 413 GLN 575 CB 298 0.778E+00 0.644E-02 -0.435E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1472 TRP 631 CD1 413 GLN 575 CG 299 0.709E+00 0.479E-02 -0.757E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1473 TRP 631 CD1 413 GLN 575 CD 300 0.816E+00 -0.124E+00 -0.291E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1474 TRP 631 CD1 413 GLN 575 OE1 301 0.884E+00 0.102E+00 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1475 TRP 631 CD1 413 GLN 575 NE2 302 0.854E+00 0.151E+00 -0.273E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1476 TRP 631 CD1 413 LEU 576 N 306 0.961E+00 0.504E-01 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1477 TRP 631 CD1 413 LEU 576 CB 310 0.104E+01 0.182E-01 -0.769E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1478 TRP 631 CD1 413 LEU 576 CG 311 0.930E+00 -0.287E-01 -0.150E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1479 TRP 631 CD1 413 LEU 576 CD1 312 0.950E+00 0.178E-01 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1480 TRP 631 CD1 413 LEU 576 CD2 313 0.967E+00 0.173E-01 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1481 TRP 631 CD2 414 HIS 564 C 184 0.998E+00 0.459E-01 -0.872E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1482 TRP 631 CD2 414 HIS 564 O 185 0.912E+00 -0.421E-01 -0.156E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1483 TRP 631 CD2 414 LEU 565 N 195 0.100E+01 -0.244E-01 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1484 TRP 631 CD2 414 LEU 565 CA 196 0.911E+00 -0.806E-02 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1485 TRP 631 CD2 414 LEU 565 C 197 0.902E+00 0.464E-01 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1486 TRP 631 CD2 414 LEU 565 O 198 0.801E+00 -0.552E-01 -0.341E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1487 TRP 631 CD2 414 LEU 565 CB 199 0.979E+00 -0.103E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1488 TRP 631 CD2 414 LEU 565 CG 200 0.977E+00 0.137E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1489 TRP 631 CD2 414 LEU 565 CD1 201 0.102E+01 -0.824E-02 -0.851E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1490 TRP 631 CD2 414 LEU 565 CD2 202 0.850E+00 -0.110E-01 -0.257E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1491 TRP 631 CD2 414 LEU 566 N 204 0.102E+01 -0.238E-01 -0.923E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1492 TRP 631 CD2 414 LEU 566 C 206 0.996E+00 0.399E-01 -0.880E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1493 TRP 631 CD2 414 LEU 566 O 207 0.957E+00 -0.412E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1494 TRP 631 CD2 414 GLN 567 N 213 0.100E+01 -0.266E-01 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1495 TRP 631 CD2 414 GLN 567 CA 214 0.976E+00 0.265E-02 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1496 TRP 631 CD2 414 GLN 567 C 215 0.832E+00 0.388E-01 -0.258E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1497 TRP 631 CD2 414 GLN 567 O 216 0.812E+00 -0.546E-01 -0.314E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1498 TRP 631 CD2 414 GLN 567 CB 217 0.104E+01 -0.209E-02 -0.763E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1499 TRP 631 CD2 414 LEU 568 N 225 0.745E+00 -0.401E-01 -0.618E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1500 TRP 631 CD2 414 LEU 568 CA 226 0.604E+00 -0.173E-01 -0.194E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1501 TRP 631 CD2 414 LEU 568 C 227 0.557E+00 0.117E+00 -0.273E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1502 TRP 631 CD2 414 LEU 568 O 228 0.505E+00 -0.143E+00 -0.512E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1503 TRP 631 CD2 414 LEU 568 CB 229 0.555E+00 -0.297E-01 -0.315E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1504 TRP 631 CD2 414 LEU 568 CG 230 0.651E+00 0.281E-01 -0.125E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1505 TRP 631 CD2 414 LEU 568 CD1 231 0.647E+00 -0.183E-01 -0.130E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1506 TRP 631 CD2 414 LEU 568 CD2 232 0.668E+00 -0.171E-01 -0.108E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1507 TRP 631 CD2 414 THR 569 N 234 0.623E+00 -0.393E-01 -0.178E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1508 TRP 631 CD2 414 THR 569 CA 235 0.641E+00 -0.410E-01 -0.137E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1509 TRP 631 CD2 414 THR 569 C 236 0.718E+00 0.676E-01 -0.621E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1510 TRP 631 CD2 414 THR 569 O 237 0.711E+00 -0.679E-01 -0.691E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1511 TRP 631 CD2 414 THR 569 CB 238 0.750E+00 0.265E-01 -0.540E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1512 TRP 631 CD2 414 THR 569 OG1 239 0.866E+00 -0.522E-01 -0.236E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1513 TRP 631 CD2 414 THR 569 CG2 240 0.723E+00 -0.210E-01 -0.676E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1514 TRP 631 CD2 414 THR 569 HG1 242 0.858E+00 0.356E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1515 TRP 631 CD2 414 VAL 570 N 243 0.812E+00 -0.435E-01 -0.369E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1516 TRP 631 CD2 414 VAL 570 CA 244 0.908E+00 -0.417E-02 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1517 TRP 631 CD2 414 VAL 570 C 245 0.856E+00 0.395E-01 -0.219E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1518 TRP 631 CD2 414 VAL 570 O 246 0.907E+00 -0.325E-01 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1519 TRP 631 CD2 414 VAL 570 CB 247 0.102E+01 0.264E-01 -0.839E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1520 TRP 631 CD2 414 TRP 571 N 251 0.779E+00 -0.445E-01 -0.473E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1521 TRP 631 CD2 414 TRP 571 CA 252 0.747E+00 -0.224E-02 -0.554E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1522 TRP 631 CD2 414 TRP 571 C 253 0.677E+00 0.792E-01 -0.883E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1523 TRP 631 CD2 414 TRP 571 O 254 0.736E+00 -0.571E-01 -0.565E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1524 TRP 631 CD2 414 TRP 571 CB 255 0.685E+00 -0.130E-01 -0.928E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1525 TRP 631 CD2 414 TRP 571 CG 256 0.679E+00 -0.135E-01 -0.865E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1526 TRP 631 CD2 414 TRP 571 CD1 257 0.801E+00 -0.172E-01 -0.325E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1527 TRP 631 CD2 414 TRP 571 CD2 258 0.590E+00 0.162E-01 -0.196E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1528 TRP 631 CD2 414 TRP 571 NE1 259 0.800E+00 -0.295E-01 -0.402E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1529 TRP 631 CD2 414 TRP 571 CE2 260 0.687E+00 0.187E-01 -0.809E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1530 TRP 631 CD2 414 TRP 571 CE3 261 0.465E+00 -0.481E-01 -0.722E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1531 TRP 631 CD2 414 TRP 571 CZ2 262 0.682E+00 -0.282E-01 -0.843E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1532 TRP 631 CD2 414 TRP 571 CZ3 263 0.458E+00 -0.531E-01 -0.778E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1533 TRP 631 CD2 414 TRP 571 CH2 264 0.578E+00 -0.250E-01 -0.221E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1534 TRP 631 CD2 414 TRP 571 HE1 266 0.885E+00 0.269E-01 -0.619E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1535 TRP 631 CD2 414 GLY 572 N 267 0.585E+00 -0.687E-01 -0.256E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1536 TRP 631 CD2 414 GLY 572 CA 268 0.549E+00 -0.273E-01 -0.336E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1537 TRP 631 CD2 414 GLY 572 C 269 0.685E+00 0.768E-01 -0.820E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1538 TRP 631 CD2 414 GLY 572 O 270 0.739E+00 -0.583E-01 -0.552E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1539 TRP 631 CD2 414 ILE 573 N 272 0.768E+00 -0.481E-01 -0.513E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1540 TRP 631 CD2 414 ILE 573 CA 273 0.906E+00 -0.820E-02 -0.175E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1541 TRP 631 CD2 414 ILE 573 C 274 0.989E+00 0.400E-01 -0.921E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1542 TRP 631 CD2 414 ILE 573 CB 276 0.992E+00 0.434E-02 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1543 TRP 631 CD2 414 ILE 573 CG1 277 0.955E+00 0.163E-02 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1544 TRP 631 CD2 414 ILE 573 CD1 279 0.105E+01 -0.654E-02 -0.738E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1545 TRP 631 CD2 414 LYS 574 N 281 0.100E+01 -0.302E-01 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1546 TRP 631 CD2 414 GLN 575 N 294 0.965E+00 -0.282E-01 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1547 TRP 631 CD2 414 GLN 575 CA 295 0.963E+00 0.271E-02 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1548 TRP 631 CD2 414 GLN 575 C 296 0.102E+01 0.281E-01 -0.763E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1549 TRP 631 CD2 414 GLN 575 CB 298 0.834E+00 -0.295E-02 -0.288E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1550 TRP 631 CD2 414 GLN 575 CG 299 0.795E+00 -0.201E-02 -0.384E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1551 TRP 631 CD2 414 GLN 575 CD 300 0.908E+00 0.536E-01 -0.154E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1552 TRP 631 CD2 414 GLN 575 OE1 301 0.955E+00 -0.466E-01 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1553 TRP 631 CD2 414 GLN 575 NE2 302 0.973E+00 -0.637E-01 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1554 TRP 631 CD2 414 LEU 576 N 306 0.980E+00 -0.253E-01 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1555 TRP 631 CD2 414 LEU 576 CB 310 0.101E+01 -0.980E-02 -0.909E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1556 TRP 631 CD2 414 LEU 576 CG 311 0.880E+00 0.162E-01 -0.208E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1557 TRP 631 CD2 414 LEU 576 CD1 312 0.877E+00 -0.104E-01 -0.213E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1558 TRP 631 CD2 414 LEU 576 CD2 313 0.899E+00 -0.100E-01 -0.183E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1559 TRP 631 NE1 415 GLN 563 O 173 0.102E+01 0.125E+00 -0.966E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1560 TRP 631 NE1 415 HIS 564 CA 183 0.969E+00 -0.744E-02 -0.144E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1561 TRP 631 NE1 415 HIS 564 C 184 0.837E+00 -0.201E+00 -0.306E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1562 TRP 631 NE1 415 HIS 564 O 185 0.740E+00 0.200E+00 -0.663E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1563 TRP 631 NE1 415 HIS 564 CB 186 0.101E+01 0.344E-01 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1564 TRP 631 NE1 415 LEU 565 N 195 0.857E+00 0.104E+00 -0.328E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1565 TRP 631 NE1 415 LEU 565 CA 196 0.768E+00 0.357E-01 -0.580E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1566 TRP 631 NE1 415 LEU 565 C 197 0.735E+00 -0.219E+00 -0.666E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1567 TRP 631 NE1 415 LEU 565 O 198 0.627E+00 0.293E+00 -0.178E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1568 TRP 631 NE1 415 LEU 565 CB 199 0.855E+00 0.422E-01 -0.304E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1569 TRP 631 NE1 415 LEU 565 CG 200 0.886E+00 -0.530E-01 -0.246E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1570 TRP 631 NE1 415 LEU 565 CD1 201 0.944E+00 0.308E-01 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1571 TRP 631 NE1 415 LEU 565 CD2 202 0.778E+00 0.424E-01 -0.535E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1572 TRP 631 NE1 415 LEU 566 N 204 0.846E+00 0.106E+00 -0.355E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1573 TRP 631 NE1 415 LEU 566 CA 205 0.863E+00 0.291E-01 -0.288E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1574 TRP 631 NE1 415 LEU 566 C 206 0.790E+00 -0.193E+00 -0.435E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1575 TRP 631 NE1 415 LEU 566 O 207 0.746E+00 0.208E+00 -0.634E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1576 TRP 631 NE1 415 LEU 566 CB 208 0.102E+01 0.322E-01 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1577 TRP 631 NE1 415 GLN 567 N 213 0.795E+00 0.128E+00 -0.512E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1578 TRP 631 NE1 415 GLN 567 CA 214 0.760E+00 -0.133E-01 -0.615E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1579 TRP 631 NE1 415 GLN 567 C 215 0.615E+00 -0.229E+00 -0.192E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1580 TRP 631 NE1 415 GLN 567 O 216 0.590E+00 0.337E+00 -0.254E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1581 TRP 631 NE1 415 GLN 567 CB 217 0.833E+00 0.979E-02 -0.356E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1582 TRP 631 NE1 415 GLN 567 CG 218 0.985E+00 0.469E-02 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1583 TRP 631 NE1 415 GLN 567 OE1 220 0.100E+01 0.144E+00 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1584 TRP 631 NE1 415 LEU 568 N 225 0.536E+00 0.262E+00 -0.521E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1585 TRP 631 NE1 415 LEU 568 CA 226 0.396E+00 0.157E+00 -0.202E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1586 TRP 631 NE1 415 LEU 568 C 227 0.339E+00 -0.136E+01 -0.722E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1587 TRP 631 NE1 415 LEU 568 O 228 0.283E+00 0.220E+01 0.160E+01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1588 TRP 631 NE1 415 LEU 568 CB 229 0.382E+00 0.247E+00 -0.218E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1589 TRP 631 NE1 415 LEU 568 CG 230 0.502E+00 -0.165E+00 -0.682E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1590 TRP 631 NE1 415 LEU 568 CD1 231 0.543E+00 0.880E-01 -0.440E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1591 TRP 631 NE1 415 LEU 568 CD2 232 0.522E+00 0.966E-01 -0.554E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1592 TRP 631 NE1 415 THR 569 N 234 0.418E+00 0.331E+00 -0.190E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1593 TRP 631 NE1 415 THR 569 CA 235 0.453E+00 0.299E+00 -0.117E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1594 TRP 631 NE1 415 THR 569 C 236 0.522E+00 -0.440E+00 -0.491E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1595 TRP 631 NE1 415 THR 569 O 237 0.533E+00 0.413E+00 -0.461E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1596 TRP 631 NE1 415 THR 569 CB 238 0.582E+00 -0.146E+00 -0.297E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1597 TRP 631 NE1 415 THR 569 OG1 239 0.681E+00 0.267E+00 -0.121E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1598 TRP 631 NE1 415 THR 569 CG2 240 0.582E+00 0.108E+00 -0.297E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1599 TRP 631 NE1 415 THR 569 HG1 242 0.666E+00 -0.187E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1600 TRP 631 NE1 415 VAL 570 N 243 0.601E+00 0.258E+00 -0.269E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1601 TRP 631 NE1 415 VAL 570 CA 244 0.699E+00 0.219E-01 -0.101E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1602 TRP 631 NE1 415 VAL 570 C 245 0.654E+00 -0.215E+00 -0.134E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1603 TRP 631 NE1 415 VAL 570 O 246 0.720E+00 0.161E+00 -0.781E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1604 TRP 631 NE1 415 VAL 570 CB 247 0.808E+00 -0.127E+00 -0.427E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1605 TRP 631 NE1 415 VAL 570 CG1 248 0.919E+00 0.235E-01 -0.198E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1606 TRP 631 NE1 415 VAL 570 CG2 249 0.886E+00 0.249E-01 -0.247E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1607 TRP 631 NE1 415 TRP 571 N 251 0.571E+00 0.274E+00 -0.361E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1608 TRP 631 NE1 415 TRP 571 CA 252 0.558E+00 0.135E-01 -0.377E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1609 TRP 631 NE1 415 TRP 571 C 253 0.513E+00 -0.478E+00 -0.540E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1610 TRP 631 NE1 415 TRP 571 O 254 0.598E+00 0.287E+00 -0.236E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1611 TRP 631 NE1 415 TRP 571 CB 255 0.500E+00 0.851E-01 -0.700E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1612 TRP 631 NE1 415 TRP 571 CG 256 0.532E+00 0.750E-01 -0.438E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1613 TRP 631 NE1 415 TRP 571 CD1 257 0.663E+00 0.813E-01 -0.123E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1614 TRP 631 NE1 415 TRP 571 CD2 258 0.482E+00 -0.853E-01 -0.755E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1615 TRP 631 NE1 415 TRP 571 NE1 259 0.696E+00 0.127E+00 -0.113E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1616 TRP 631 NE1 415 TRP 571 CE2 260 0.606E+00 -0.801E-01 -0.209E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1617 TRP 631 NE1 415 TRP 571 CE3 261 0.385E+00 0.258E+00 -0.191E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1618 TRP 631 NE1 415 TRP 571 CZ2 262 0.646E+00 0.104E+00 -0.143E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1619 TRP 631 NE1 415 TRP 571 CZ3 263 0.446E+00 0.188E+00 -0.111E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1620 TRP 631 NE1 415 TRP 571 CH2 264 0.578E+00 0.830E-01 -0.275E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1621 TRP 631 NE1 415 TRP 571 HE1 266 0.790E+00 -0.108E+00 -0.140E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1622 TRP 631 NE1 415 GLY 572 N 267 0.422E+00 0.494E+00 -0.183E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1623 TRP 631 NE1 415 GLY 572 CA 268 0.433E+00 0.160E+00 -0.145E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1624 TRP 631 NE1 415 GLY 572 C 269 0.579E+00 -0.361E+00 -0.272E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1625 TRP 631 NE1 415 GLY 572 O 270 0.661E+00 0.240E+00 -0.131E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1626 TRP 631 NE1 415 ILE 573 N 272 0.637E+00 0.229E+00 -0.192E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1627 TRP 631 NE1 415 ILE 573 CA 273 0.781E+00 0.350E-01 -0.524E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1628 TRP 631 NE1 415 ILE 573 C 274 0.864E+00 -0.164E+00 -0.254E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1629 TRP 631 NE1 415 ILE 573 O 275 0.957E+00 0.152E+00 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1630 TRP 631 NE1 415 ILE 573 CB 276 0.846E+00 -0.185E-01 -0.325E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1631 TRP 631 NE1 415 ILE 573 CG1 277 0.813E+00 -0.702E-02 -0.411E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1632 TRP 631 NE1 415 ILE 573 CG2 278 0.997E+00 0.299E-01 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1633 TRP 631 NE1 415 ILE 573 CD1 279 0.889E+00 0.278E-01 -0.242E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1634 TRP 631 NE1 415 LYS 574 N 281 0.859E+00 0.127E+00 -0.323E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1635 TRP 631 NE1 415 LYS 574 CA 282 0.965E+00 0.943E-02 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1636 TRP 631 NE1 415 LYS 574 C 283 0.969E+00 -0.174E+00 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1637 TRP 631 NE1 415 LYS 574 CB 285 0.974E+00 0.258E-01 -0.140E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1638 TRP 631 NE1 415 LYS 574 CG 286 0.101E+01 -0.740E-02 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1639 TRP 631 NE1 415 GLN 575 N 294 0.865E+00 0.111E+00 -0.309E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1640 TRP 631 NE1 415 GLN 575 CA 295 0.894E+00 -0.101E-01 -0.234E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1641 TRP 631 NE1 415 GLN 575 C 296 0.970E+00 -0.100E+00 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1642 TRP 631 NE1 415 GLN 575 CB 298 0.783E+00 0.109E-01 -0.515E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1643 TRP 631 NE1 415 GLN 575 CG 299 0.735E+00 0.765E-02 -0.749E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1644 TRP 631 NE1 415 GLN 575 CD 300 0.858E+00 -0.195E+00 -0.265E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1645 TRP 631 NE1 415 GLN 575 OE1 301 0.931E+00 0.160E+00 -0.168E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1646 TRP 631 NE1 415 GLN 575 NE2 302 0.901E+00 0.237E+00 -0.242E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1647 TRP 631 NE1 415 LEU 576 N 306 0.930E+00 0.908E-01 -0.200E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1648 TRP 631 NE1 415 LEU 576 CA 307 0.103E+01 0.223E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1649 TRP 631 NE1 415 LEU 576 CB 310 0.985E+00 0.337E-01 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1650 TRP 631 NE1 415 LEU 576 CG 311 0.876E+00 -0.541E-01 -0.265E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1651 TRP 631 NE1 415 LEU 576 CD1 312 0.878E+00 0.345E-01 -0.260E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1652 TRP 631 NE1 415 LEU 576 CD2 313 0.927E+00 0.316E-01 -0.189E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1653 TRP 631 CE2 416 HIS 564 C 184 0.921E+00 0.819E-01 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1654 TRP 631 CE2 416 HIS 564 O 185 0.834E+00 -0.770E-01 -0.268E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1655 TRP 631 CE2 416 LEU 565 N 195 0.924E+00 -0.437E-01 -0.170E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1656 TRP 631 CE2 416 LEU 565 CA 196 0.823E+00 -0.151E-01 -0.313E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1657 TRP 631 CE2 416 LEU 565 C 197 0.797E+00 0.903E-01 -0.335E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1658 TRP 631 CE2 416 LEU 565 O 198 0.688E+00 -0.115E+00 -0.841E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1659 TRP 631 CE2 416 LEU 565 CB 199 0.890E+00 -0.188E-01 -0.195E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1660 TRP 631 CE2 416 LEU 565 CG 200 0.904E+00 0.245E-01 -0.178E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1661 TRP 631 CE2 416 LEU 565 CD1 201 0.943E+00 -0.147E-01 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1662 TRP 631 CE2 416 LEU 565 CD2 202 0.789E+00 -0.197E-01 -0.402E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1663 TRP 631 CE2 416 LEU 566 N 204 0.913E+00 -0.446E-01 -0.183E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1664 TRP 631 CE2 416 LEU 566 CA 205 0.935E+00 -0.122E-01 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1665 TRP 631 CE2 416 LEU 566 C 206 0.877E+00 0.767E-01 -0.189E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1666 TRP 631 CE2 416 LEU 566 O 207 0.832E+00 -0.816E-01 -0.272E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1667 TRP 631 CE2 416 GLN 567 N 213 0.895E+00 -0.501E-01 -0.205E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1668 TRP 631 CE2 416 GLN 567 CA 214 0.874E+00 0.498E-02 -0.217E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1669 TRP 631 CE2 416 GLN 567 C 215 0.733E+00 0.769E-01 -0.553E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1670 TRP 631 CE2 416 GLN 567 O 216 0.713E+00 -0.109E+00 -0.682E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1671 TRP 631 CE2 416 GLN 567 CB 217 0.954E+00 -0.375E-02 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1672 TRP 631 CE2 416 LEU 568 N 225 0.647E+00 -0.832E-01 -0.143E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1673 TRP 631 CE2 416 LEU 568 CA 226 0.511E+00 -0.396E-01 -0.497E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1674 TRP 631 CE2 416 LEU 568 C 227 0.443E+00 0.319E+00 -0.911E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1675 TRP 631 CE2 416 LEU 568 O 228 0.394E+00 -0.419E+00 -0.175E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1676 TRP 631 CE2 416 LEU 568 CB 229 0.478E+00 -0.662E-01 -0.708E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1677 TRP 631 CE2 416 LEU 568 CG 230 0.598E+00 0.531E-01 -0.206E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1678 TRP 631 CE2 416 LEU 568 CD1 231 0.613E+00 -0.322E-01 -0.178E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1679 TRP 631 CE2 416 LEU 568 CD2 232 0.633E+00 -0.302E-01 -0.148E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1680 TRP 631 CE2 416 THR 569 N 234 0.495E+00 -0.104E+00 -0.657E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1681 TRP 631 CE2 416 THR 569 CA 235 0.504E+00 -0.110E+00 -0.540E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1682 TRP 631 CE2 416 THR 569 C 236 0.585E+00 0.162E+00 -0.206E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1683 TRP 631 CE2 416 THR 569 O 237 0.583E+00 -0.161E+00 -0.224E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1684 TRP 631 CE2 416 THR 569 CB 238 0.612E+00 0.625E-01 -0.180E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1685 TRP 631 CE2 416 THR 569 OG1 239 0.729E+00 -0.112E+00 -0.660E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1686 TRP 631 CE2 416 THR 569 CG2 240 0.591E+00 -0.498E-01 -0.220E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1687 TRP 631 CE2 416 THR 569 HG1 242 0.726E+00 0.757E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1688 TRP 631 CE2 416 VAL 570 N 243 0.684E+00 -0.943E-01 -0.102E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1689 TRP 631 CE2 416 VAL 570 CA 244 0.786E+00 -0.839E-02 -0.409E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1690 TRP 631 CE2 416 VAL 570 C 245 0.747E+00 0.791E-01 -0.492E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1691 TRP 631 CE2 416 VAL 570 O 246 0.805E+00 -0.627E-01 -0.332E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1692 TRP 631 CE2 416 VAL 570 CB 247 0.906E+00 0.502E-01 -0.175E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1693 TRP 631 CE2 416 VAL 570 CG1 248 0.102E+01 -0.957E-02 -0.873E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1694 TRP 631 CE2 416 VAL 570 CG2 249 0.975E+00 -0.102E-01 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1695 TRP 631 CE2 416 TRP 571 N 251 0.679E+00 -0.908E-01 -0.106E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1696 TRP 631 CE2 416 TRP 571 CA 252 0.668E+00 -0.439E-02 -0.108E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1697 TRP 631 CE2 416 TRP 571 C 253 0.601E+00 0.160E+00 -0.178E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1698 TRP 631 CE2 416 TRP 571 O 254 0.674E+00 -0.107E+00 -0.948E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1699 TRP 631 CE2 416 TRP 571 CB 255 0.623E+00 -0.248E-01 -0.162E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1700 TRP 631 CE2 416 TRP 571 CG 256 0.646E+00 -0.235E-01 -0.117E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1701 TRP 631 CE2 416 TRP 571 CD1 257 0.777E+00 -0.287E-01 -0.391E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1702 TRP 631 CE2 416 TRP 571 CD2 258 0.578E+00 0.268E-01 -0.222E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1703 TRP 631 CE2 416 TRP 571 NE1 259 0.797E+00 -0.469E-01 -0.412E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1704 TRP 631 CE2 416 TRP 571 CE2 260 0.694E+00 0.289E-01 -0.762E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1705 TRP 631 CE2 416 TRP 571 CE3 261 0.460E+00 -0.778E-01 -0.759E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1706 TRP 631 CE2 416 TRP 571 CZ2 262 0.714E+00 -0.407E-01 -0.646E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1707 TRP 631 CE2 416 TRP 571 CZ3 263 0.489E+00 -0.714E-01 -0.558E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1708 TRP 631 CE2 416 TRP 571 CH2 264 0.623E+00 -0.337E-01 -0.144E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1709 TRP 631 CE2 416 TRP 571 HE1 266 0.889E+00 0.422E-01 -0.602E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1710 TRP 631 CE2 416 GLY 572 N 267 0.495E+00 -0.159E+00 -0.656E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1711 TRP 631 CE2 416 GLY 572 CA 268 0.468E+00 -0.627E-01 -0.793E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1712 TRP 631 CE2 416 GLY 572 C 269 0.603E+00 0.157E+00 -0.173E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1713 TRP 631 CE2 416 GLY 572 O 270 0.674E+00 -0.110E+00 -0.953E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1714 TRP 631 CE2 416 ILE 573 N 272 0.669E+00 -0.987E-01 -0.116E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1715 TRP 631 CE2 416 ILE 573 CA 273 0.808E+00 -0.157E-01 -0.348E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1716 TRP 631 CE2 416 ILE 573 C 274 0.901E+00 0.729E-01 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1717 TRP 631 CE2 416 ILE 573 O 275 0.985E+00 -0.692E-01 -0.988E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1718 TRP 631 CE2 416 ILE 573 CB 276 0.880E+00 0.826E-02 -0.209E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1719 TRP 631 CE2 416 ILE 573 CG1 277 0.834E+00 0.320E-02 -0.287E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1720 TRP 631 CE2 416 ILE 573 CG2 278 0.103E+01 -0.136E-01 -0.827E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1721 TRP 631 CE2 416 ILE 573 CD1 279 0.918E+00 -0.126E-01 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1722 TRP 631 CE2 416 LYS 574 N 281 0.914E+00 -0.546E-01 -0.181E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1723 TRP 631 CE2 416 LYS 574 CA 282 0.103E+01 -0.410E-02 -0.832E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1724 TRP 631 CE2 416 LYS 574 C 283 0.102E+01 0.766E-01 -0.754E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1725 TRP 631 CE2 416 GLN 575 N 294 0.915E+00 -0.484E-01 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1726 TRP 631 CE2 416 GLN 575 CA 295 0.933E+00 0.449E-02 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1727 TRP 631 CE2 416 GLN 575 C 296 0.991E+00 0.464E-01 -0.910E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1728 TRP 631 CE2 416 GLN 575 CB 298 0.816E+00 -0.484E-02 -0.328E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1729 TRP 631 CE2 416 GLN 575 CG 299 0.786E+00 -0.323E-02 -0.410E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1730 TRP 631 CE2 416 GLN 575 CD 300 0.912E+00 0.840E-01 -0.150E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1731 TRP 631 CE2 416 GLN 575 OE1 301 0.973E+00 -0.714E-01 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1732 TRP 631 CE2 416 GLN 575 NE2 302 0.971E+00 -0.101E+00 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1733 TRP 631 CE2 416 LEU 576 N 306 0.940E+00 -0.426E-01 -0.154E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1734 TRP 631 CE2 416 LEU 576 CA 307 0.102E+01 -0.107E-01 -0.861E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1735 TRP 631 CE2 416 LEU 576 CB 310 0.965E+00 -0.166E-01 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1736 TRP 631 CE2 416 LEU 576 CG 311 0.842E+00 0.275E-01 -0.272E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1737 TRP 631 CE2 416 LEU 576 CD1 312 0.829E+00 -0.181E-01 -0.298E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1738 TRP 631 CE2 416 LEU 576 CD2 313 0.884E+00 -0.163E-01 -0.203E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1739 TRP 631 CE3 417 HIS 564 O 185 0.103E+01 0.603E-01 -0.771E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1740 TRP 631 CE3 417 LEU 565 CA 196 0.100E+01 0.120E-01 -0.969E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1741 TRP 631 CE3 417 LEU 565 C 197 0.998E+00 -0.680E-01 -0.869E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1742 TRP 631 CE3 417 LEU 565 O 198 0.899E+00 0.779E-01 -0.171E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1743 TRP 631 CE3 417 LEU 565 CG 200 0.104E+01 -0.216E-01 -0.789E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1744 TRP 631 CE3 417 LEU 565 CD2 202 0.903E+00 0.170E-01 -0.179E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1745 TRP 631 CE3 417 GLN 567 C 215 0.963E+00 -0.525E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1746 TRP 631 CE3 417 GLN 567 O 216 0.945E+00 0.729E-01 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1747 TRP 631 CE3 417 LEU 568 N 225 0.871E+00 0.521E-01 -0.242E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1748 TRP 631 CE3 417 LEU 568 CA 226 0.733E+00 0.201E-01 -0.620E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1749 TRP 631 CE3 417 LEU 568 C 227 0.681E+00 -0.131E+00 -0.851E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1750 TRP 631 CE3 417 LEU 568 O 228 0.631E+00 0.149E+00 -0.141E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1751 TRP 631 CE3 417 LEU 568 CB 229 0.675E+00 0.335E-01 -0.101E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1752 TRP 631 CE3 417 LEU 568 CG 230 0.768E+00 -0.350E-01 -0.470E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1753 TRP 631 CE3 417 LEU 568 CD1 231 0.746E+00 0.237E-01 -0.558E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1754 TRP 631 CE3 417 LEU 568 CD2 232 0.793E+00 0.212E-01 -0.390E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1755 TRP 631 CE3 417 THR 569 N 234 0.733E+00 0.487E-01 -0.679E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1756 TRP 631 CE3 417 THR 569 CA 235 0.737E+00 0.534E-01 -0.601E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1757 TRP 631 CE3 417 THR 569 C 236 0.819E+00 -0.912E-01 -0.284E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1758 TRP 631 CE3 417 THR 569 O 237 0.803E+00 0.930E-01 -0.335E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1759 TRP 631 CE3 417 THR 569 CB 238 0.831E+00 -0.378E-01 -0.294E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1760 TRP 631 CE3 417 THR 569 OG1 239 0.956E+00 0.763E-01 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1761 TRP 631 CE3 417 THR 569 CG2 240 0.790E+00 0.305E-01 -0.398E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1762 TRP 631 CE3 417 THR 569 HG1 242 0.955E+00 -0.514E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1763 TRP 631 CE3 417 VAL 570 N 243 0.923E+00 0.602E-01 -0.172E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1764 TRP 631 CE3 417 VAL 570 CA 244 0.102E+01 0.598E-02 -0.863E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1765 TRP 631 CE3 417 VAL 570 C 245 0.971E+00 -0.553E-01 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1766 TRP 631 CE3 417 VAL 570 O 246 0.101E+01 0.469E-01 -0.825E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1767 TRP 631 CE3 417 TRP 571 N 251 0.902E+00 0.594E-01 -0.196E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1768 TRP 631 CE3 417 TRP 571 CA 252 0.870E+00 0.294E-02 -0.223E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1769 TRP 631 CE3 417 TRP 571 C 253 0.787E+00 -0.102E+00 -0.360E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1770 TRP 631 CE3 417 TRP 571 O 254 0.836E+00 0.778E-01 -0.263E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1771 TRP 631 CE3 417 TRP 571 CB 255 0.816E+00 0.161E-01 -0.329E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1772 TRP 631 CE3 417 TRP 571 CG 256 0.803E+00 0.169E-01 -0.321E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1773 TRP 631 CE3 417 TRP 571 CD1 257 0.922E+00 0.233E-01 -0.140E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1774 TRP 631 CE3 417 TRP 571 CD2 258 0.704E+00 -0.193E-01 -0.701E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1775 TRP 631 CE3 417 TRP 571 NE1 259 0.911E+00 0.407E-01 -0.185E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1776 TRP 631 CE3 417 TRP 571 CE2 260 0.790E+00 -0.246E-01 -0.351E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1777 TRP 631 CE3 417 TRP 571 CE3 261 0.571E+00 0.510E-01 -0.238E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1778 TRP 631 CE3 417 TRP 571 CZ2 262 0.767E+00 0.386E-01 -0.420E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1779 TRP 631 CE3 417 TRP 571 CZ3 263 0.538E+00 0.619E-01 -0.332E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1780 TRP 631 CE3 417 TRP 571 CH2 264 0.649E+00 0.336E-01 -0.113E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1781 TRP 631 CE3 417 TRP 571 HE1 266 0.992E+00 -0.386E-01 -0.312E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1782 TRP 631 CE3 417 GLY 572 N 267 0.690E+00 0.836E-01 -0.973E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1783 TRP 631 CE3 417 GLY 572 CA 268 0.631E+00 0.345E-01 -0.150E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1784 TRP 631 CE3 417 GLY 572 C 269 0.754E+00 -0.110E+00 -0.465E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1785 TRP 631 CE3 417 GLY 572 O 270 0.794E+00 0.875E-01 -0.359E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1786 TRP 631 CE3 417 ILE 573 N 272 0.843E+00 0.700E-01 -0.295E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1787 TRP 631 CE3 417 ILE 573 CA 273 0.973E+00 0.126E-01 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1788 TRP 631 CE3 417 ILE 573 CG1 277 0.102E+01 -0.253E-02 -0.858E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1789 TRP 631 CE3 417 GLN 575 N 294 0.104E+01 0.433E-01 -0.838E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1790 TRP 631 CE3 417 GLN 575 CA 295 0.103E+01 -0.422E-02 -0.834E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1791 TRP 631 CE3 417 GLN 575 CB 298 0.893E+00 0.451E-02 -0.192E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1792 TRP 631 CE3 417 GLN 575 CG 299 0.868E+00 0.296E-02 -0.227E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1793 TRP 631 CE3 417 GLN 575 CD 300 0.978E+00 -0.817E-01 -0.983E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1794 TRP 631 CE3 417 GLN 575 OE1 301 0.101E+01 0.730E-01 -0.838E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1795 TRP 631 CE3 417 LEU 576 N 306 0.102E+01 0.409E-01 -0.943E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1796 TRP 631 CE3 417 LEU 576 CB 310 0.103E+01 0.164E-01 -0.832E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1797 TRP 631 CE3 417 LEU 576 CG 311 0.885E+00 -0.275E-01 -0.202E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1798 TRP 631 CE3 417 LEU 576 CD1 312 0.871E+00 0.181E-01 -0.222E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1799 TRP 631 CE3 417 LEU 576 CD2 313 0.889E+00 0.175E-01 -0.196E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1800 TRP 631 CZ2 418 HIS 564 C 184 0.960E+00 -0.114E+00 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1801 TRP 631 CZ2 418 HIS 564 O 185 0.882E+00 0.104E+00 -0.192E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1802 TRP 631 CZ2 418 LEU 565 N 195 0.946E+00 0.626E-01 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1803 TRP 631 CZ2 418 LEU 565 CA 196 0.830E+00 0.220E-01 -0.297E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1804 TRP 631 CZ2 418 LEU 565 C 197 0.796E+00 -0.134E+00 -0.337E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1805 TRP 631 CZ2 418 LEU 565 O 198 0.684E+00 0.174E+00 -0.871E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1806 TRP 631 CZ2 418 LEU 565 CB 199 0.878E+00 0.286E-01 -0.212E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1807 TRP 631 CZ2 418 LEU 565 CG 200 0.887E+00 -0.375E-01 -0.198E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1808 TRP 631 CZ2 418 LEU 565 CD1 201 0.905E+00 0.233E-01 -0.177E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1809 TRP 631 CZ2 418 LEU 565 CD2 202 0.782E+00 0.298E-01 -0.424E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1810 TRP 631 CZ2 418 LEU 566 N 204 0.909E+00 0.666E-01 -0.187E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1811 TRP 631 CZ2 418 LEU 566 CA 205 0.926E+00 0.184E-01 -0.154E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1812 TRP 631 CZ2 418 LEU 566 C 206 0.883E+00 -0.113E+00 -0.181E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1813 TRP 631 CZ2 418 LEU 566 O 207 0.832E+00 0.121E+00 -0.272E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1814 TRP 631 CZ2 418 GLN 567 N 213 0.921E+00 0.711E-01 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1815 TRP 631 CZ2 418 GLN 567 CA 214 0.917E+00 -0.685E-02 -0.163E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1816 TRP 631 CZ2 418 GLN 567 C 215 0.784E+00 -0.101E+00 -0.370E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1817 TRP 631 CZ2 418 GLN 567 O 216 0.768E+00 0.141E+00 -0.436E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1818 TRP 631 CZ2 418 GLN 567 CB 217 0.101E+01 0.510E-02 -0.902E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1819 TRP 631 CZ2 418 LEU 568 N 225 0.696E+00 0.107E+00 -0.920E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1820 TRP 631 CZ2 418 LEU 568 CA 226 0.575E+00 0.451E-01 -0.258E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1821 TRP 631 CZ2 418 LEU 568 C 227 0.483E+00 -0.383E+00 -0.597E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1822 TRP 631 CZ2 418 LEU 568 O 228 0.446E+00 0.453E+00 -0.997E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1823 TRP 631 CZ2 418 LEU 568 CB 229 0.545E+00 0.726E-01 -0.351E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1824 TRP 631 CZ2 418 LEU 568 CG 230 0.675E+00 -0.613E-01 -0.101E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1825 TRP 631 CZ2 418 LEU 568 CD1 231 0.686E+00 0.381E-01 -0.922E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1826 TRP 631 CZ2 418 LEU 568 CD2 232 0.733E+00 0.335E-01 -0.622E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1827 TRP 631 CZ2 418 THR 569 N 234 0.499E+00 0.152E+00 -0.630E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1828 TRP 631 CZ2 418 THR 569 CA 235 0.475E+00 0.188E+00 -0.734E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1829 TRP 631 CZ2 418 THR 569 C 236 0.568E+00 -0.257E+00 -0.245E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1830 TRP 631 CZ2 418 THR 569 O 237 0.557E+00 0.264E+00 -0.291E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1831 TRP 631 CZ2 418 THR 569 CB 238 0.556E+00 -0.114E+00 -0.311E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1832 TRP 631 CZ2 418 THR 569 OG1 239 0.687E+00 0.186E+00 -0.936E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1833 TRP 631 CZ2 418 THR 569 CG2 240 0.522E+00 0.976E-01 -0.442E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1834 TRP 631 CZ2 418 THR 569 HG1 242 0.699E+00 -0.121E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1835 TRP 631 CZ2 418 VAL 570 N 243 0.683E+00 0.140E+00 -0.103E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1836 TRP 631 CZ2 418 VAL 570 CA 244 0.791E+00 0.123E-01 -0.394E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1837 TRP 631 CZ2 418 VAL 570 C 245 0.771E+00 -0.111E+00 -0.409E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1838 TRP 631 CZ2 418 VAL 570 O 246 0.824E+00 0.895E-01 -0.287E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1839 TRP 631 CZ2 418 VAL 570 CB 247 0.921E+00 -0.727E-01 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1840 TRP 631 CZ2 418 VAL 570 CG1 248 0.104E+01 0.139E-01 -0.785E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1841 TRP 631 CZ2 418 VAL 570 CG2 249 0.974E+00 0.152E-01 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1842 TRP 631 CZ2 418 TRP 571 N 251 0.724E+00 0.119E+00 -0.727E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1843 TRP 631 CZ2 418 TRP 571 CA 252 0.731E+00 0.547E-02 -0.629E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1844 TRP 631 CZ2 418 TRP 571 C 253 0.653E+00 -0.199E+00 -0.109E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1845 TRP 631 CZ2 418 TRP 571 O 254 0.727E+00 0.137E+00 -0.605E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1846 TRP 631 CZ2 418 TRP 571 CB 255 0.711E+00 0.283E-01 -0.746E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1847 TRP 631 CZ2 418 TRP 571 CG 256 0.748E+00 0.263E-01 -0.489E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1848 TRP 631 CZ2 418 TRP 571 CD1 257 0.882E+00 0.343E-01 -0.182E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1849 TRP 631 CZ2 418 TRP 571 CD2 258 0.685E+00 -0.279E-01 -0.820E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1850 TRP 631 CZ2 418 TRP 571 NE1 259 0.908E+00 0.560E-01 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1851 TRP 631 CZ2 418 TRP 571 CE2 260 0.806E+00 -0.326E-01 -0.313E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1852 TRP 631 CZ2 418 TRP 571 CE3 261 0.566E+00 0.711E-01 -0.249E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1853 TRP 631 CZ2 418 TRP 571 CZ2 262 0.826E+00 0.464E-01 -0.270E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1854 TRP 631 CZ2 418 TRP 571 CZ3 263 0.594E+00 0.682E-01 -0.189E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1855 TRP 631 CZ2 418 TRP 571 CH2 264 0.731E+00 0.364E-01 -0.561E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1856 TRP 631 CZ2 418 TRP 571 HE1 266 0.100E+01 -0.520E-01 -0.293E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1857 TRP 631 CZ2 418 GLY 572 N 267 0.531E+00 0.200E+00 -0.444E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1858 TRP 631 CZ2 418 GLY 572 CA 268 0.484E+00 0.859E-01 -0.669E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1859 TRP 631 CZ2 418 GLY 572 C 269 0.598E+00 -0.238E+00 -0.182E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1860 TRP 631 CZ2 418 GLY 572 O 270 0.670E+00 0.165E+00 -0.986E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1861 TRP 631 CZ2 418 ILE 573 N 272 0.652E+00 0.155E+00 -0.136E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1862 TRP 631 CZ2 418 ILE 573 CA 273 0.780E+00 0.248E-01 -0.430E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1863 TRP 631 CZ2 418 ILE 573 C 274 0.890E+00 -0.110E+00 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1864 TRP 631 CZ2 418 ILE 573 O 275 0.969E+00 0.105E+00 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1865 TRP 631 CZ2 418 ILE 573 CB 276 0.843E+00 -0.132E-01 -0.269E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1866 TRP 631 CZ2 418 ILE 573 CG1 277 0.778E+00 -0.537E-02 -0.434E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1867 TRP 631 CZ2 418 ILE 573 CG2 278 0.986E+00 0.215E-01 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1868 TRP 631 CZ2 418 ILE 573 CD1 279 0.860E+00 0.207E-01 -0.239E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1869 TRP 631 CZ2 418 LYS 574 N 281 0.921E+00 0.801E-01 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1870 TRP 631 CZ2 418 LYS 574 CA 282 0.104E+01 0.594E-02 -0.750E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1871 TRP 631 CZ2 418 LYS 574 C 283 0.105E+01 -0.110E+00 -0.653E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1872 TRP 631 CZ2 418 GLN 575 N 294 0.947E+00 0.681E-01 -0.146E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1873 TRP 631 CZ2 418 GLN 575 CA 295 0.970E+00 -0.628E-02 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1874 TRP 631 CZ2 418 GLN 575 C 296 0.101E+01 -0.669E-01 -0.806E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1875 TRP 631 CZ2 418 GLN 575 CB 298 0.862E+00 0.655E-02 -0.237E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1876 TRP 631 CZ2 418 GLN 575 CG 299 0.855E+00 0.415E-02 -0.248E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1877 TRP 631 CZ2 418 GLN 575 CD 300 0.990E+00 -0.110E+00 -0.917E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1878 TRP 631 CZ2 418 LEU 576 N 306 0.943E+00 0.629E-01 -0.151E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1879 TRP 631 CZ2 418 LEU 576 CA 307 0.101E+01 0.162E-01 -0.924E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1880 TRP 631 CZ2 418 LEU 576 CB 310 0.934E+00 0.259E-01 -0.146E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1881 TRP 631 CZ2 418 LEU 576 CG 311 0.808E+00 -0.439E-01 -0.348E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1882 TRP 631 CZ2 418 LEU 576 CD1 312 0.771E+00 0.305E-01 -0.460E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1883 TRP 631 CZ2 418 LEU 576 CD2 313 0.859E+00 0.253E-01 -0.241E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1884 TRP 631 CZ3 419 LEU 565 CA 196 0.100E+01 0.126E-01 -0.944E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1885 TRP 631 CZ3 419 LEU 565 C 197 0.996E+00 -0.727E-01 -0.881E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1886 TRP 631 CZ3 419 LEU 565 O 198 0.894E+00 0.836E-01 -0.176E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1887 TRP 631 CZ3 419 LEU 565 CB 199 0.104E+01 0.172E-01 -0.768E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1888 TRP 631 CZ3 419 LEU 565 CG 200 0.102E+01 -0.235E-01 -0.866E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1889 TRP 631 CZ3 419 LEU 565 CD1 201 0.103E+01 0.149E-01 -0.813E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1890 TRP 631 CZ3 419 LEU 565 CD2 202 0.895E+00 0.184E-01 -0.189E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1891 TRP 631 CZ3 419 GLN 567 C 215 0.100E+01 -0.527E-01 -0.855E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1892 TRP 631 CZ3 419 GLN 567 O 216 0.986E+00 0.727E-01 -0.978E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1893 TRP 631 CZ3 419 LEU 568 N 225 0.907E+00 0.520E-01 -0.190E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1894 TRP 631 CZ3 419 LEU 568 CA 226 0.777E+00 0.192E-01 -0.438E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1895 TRP 631 CZ3 419 LEU 568 C 227 0.707E+00 -0.130E+00 -0.684E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1896 TRP 631 CZ3 419 LEU 568 O 228 0.663E+00 0.143E+00 -0.105E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1897 TRP 631 CZ3 419 LEU 568 CB 229 0.722E+00 0.314E-01 -0.678E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1898 TRP 631 CZ3 419 LEU 568 CG 230 0.828E+00 -0.327E-01 -0.300E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1899 TRP 631 CZ3 419 LEU 568 CD1 231 0.805E+00 0.220E-01 -0.354E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1900 TRP 631 CZ3 419 LEU 568 CD2 232 0.873E+00 0.192E-01 -0.219E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1901 TRP 631 CZ3 419 THR 569 N 234 0.734E+00 0.517E-01 -0.672E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1902 TRP 631 CZ3 419 THR 569 CA 235 0.717E+00 0.599E-01 -0.711E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1903 TRP 631 CZ3 419 THR 569 C 236 0.806E+00 -0.999E-01 -0.313E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1904 TRP 631 CZ3 419 THR 569 O 237 0.784E+00 0.103E+00 -0.386E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1905 TRP 631 CZ3 419 THR 569 CB 238 0.790E+00 -0.440E-01 -0.398E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1906 TRP 631 CZ3 419 THR 569 OG1 239 0.923E+00 0.857E-01 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1907 TRP 631 CZ3 419 THR 569 CG2 240 0.739E+00 0.367E-01 -0.593E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1908 TRP 631 CZ3 419 THR 569 HG1 242 0.934E+00 -0.566E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1909 TRP 631 CZ3 419 VAL 570 N 243 0.921E+00 0.643E-01 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1910 TRP 631 CZ3 419 VAL 570 CA 244 0.102E+01 0.634E-02 -0.846E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1911 TRP 631 CZ3 419 VAL 570 C 245 0.988E+00 -0.573E-01 -0.924E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1912 TRP 631 CZ3 419 VAL 570 O 246 0.103E+01 0.489E-01 -0.754E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1913 TRP 631 CZ3 419 TRP 571 N 251 0.936E+00 0.596E-01 -0.157E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1914 TRP 631 CZ3 419 TRP 571 CA 252 0.919E+00 0.287E-02 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1915 TRP 631 CZ3 419 TRP 571 C 253 0.828E+00 -0.995E-01 -0.267E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1916 TRP 631 CZ3 419 TRP 571 O 254 0.879E+00 0.762E-01 -0.195E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1917 TRP 631 CZ3 419 TRP 571 CB 255 0.884E+00 0.150E-01 -0.203E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1918 TRP 631 CZ3 419 TRP 571 CG 256 0.886E+00 0.152E-01 -0.177E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1919 TRP 631 CZ3 419 TRP 571 CD1 257 0.101E+01 0.216E-01 -0.801E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1920 TRP 631 CZ3 419 TRP 571 CD2 258 0.794E+00 -0.165E-01 -0.342E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1921 TRP 631 CZ3 419 TRP 571 NE1 259 0.101E+01 0.371E-01 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1922 TRP 631 CZ3 419 TRP 571 CE2 260 0.890E+00 -0.214E-01 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1923 TRP 631 CZ3 419 TRP 571 CE3 261 0.659E+00 0.401E-01 -0.103E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1924 TRP 631 CZ3 419 TRP 571 CZ2 262 0.873E+00 0.329E-01 -0.194E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1925 TRP 631 CZ3 419 TRP 571 CZ3 263 0.635E+00 0.461E-01 -0.129E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1926 TRP 631 CZ3 419 TRP 571 CH2 264 0.753E+00 0.268E-01 -0.469E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1927 TRP 631 CZ3 419 GLY 572 N 267 0.716E+00 0.828E-01 -0.781E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1928 TRP 631 CZ3 419 GLY 572 CA 268 0.643E+00 0.354E-01 -0.135E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1929 TRP 631 CZ3 419 GLY 572 C 269 0.750E+00 -0.118E+00 -0.481E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1930 TRP 631 CZ3 419 GLY 572 O 270 0.791E+00 0.939E-01 -0.367E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1931 TRP 631 CZ3 419 ILE 573 N 272 0.829E+00 0.766E-01 -0.325E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1932 TRP 631 CZ3 419 ILE 573 CA 273 0.950E+00 0.139E-01 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1933 TRP 631 CZ3 419 ILE 573 CB 276 0.103E+01 -0.744E-02 -0.792E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1934 TRP 631 CZ3 419 ILE 573 CG1 277 0.976E+00 -0.288E-02 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1935 TRP 631 CZ3 419 GLN 575 CB 298 0.935E+00 0.447E-02 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1936 TRP 631 CZ3 419 GLN 575 CG 299 0.931E+00 0.281E-02 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1937 TRP 631 CZ3 419 LEU 576 N 306 0.102E+01 0.433E-01 -0.923E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1938 TRP 631 CZ3 419 LEU 576 CB 310 0.997E+00 0.182E-01 -0.987E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1939 TRP 631 CZ3 419 LEU 576 CG 311 0.853E+00 -0.311E-01 -0.251E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1940 TRP 631 CZ3 419 LEU 576 CD1 312 0.816E+00 0.215E-01 -0.327E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1941 TRP 631 CZ3 419 LEU 576 CD2 313 0.865E+00 0.194E-01 -0.231E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1942 TRP 631 CH2 420 HIS 564 O 185 0.998E+00 0.543E-01 -0.912E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1943 TRP 631 CH2 420 LEU 565 N 195 0.104E+01 0.341E-01 -0.814E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1944 TRP 631 CH2 420 LEU 565 CA 196 0.924E+00 0.116E-01 -0.156E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1945 TRP 631 CH2 420 LEU 565 C 197 0.901E+00 -0.688E-01 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1946 TRP 631 CH2 420 LEU 565 O 198 0.794E+00 0.828E-01 -0.358E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1947 TRP 631 CH2 420 LEU 565 CB 199 0.956E+00 0.158E-01 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1948 TRP 631 CH2 420 LEU 565 CG 200 0.947E+00 -0.213E-01 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1949 TRP 631 CH2 420 LEU 565 CD1 201 0.949E+00 0.136E-01 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1950 TRP 631 CH2 420 LEU 565 CD2 202 0.836E+00 0.167E-01 -0.285E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1951 TRP 631 CH2 420 LEU 566 N 204 0.102E+01 0.354E-01 -0.956E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1952 TRP 631 CH2 420 LEU 566 CA 205 0.104E+01 0.976E-02 -0.769E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1953 TRP 631 CH2 420 LEU 566 C 206 0.101E+01 -0.579E-01 -0.820E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1954 TRP 631 CH2 420 LEU 566 O 207 0.959E+00 0.608E-01 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1955 TRP 631 CH2 420 GLN 567 C 215 0.921E+00 -0.486E-01 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1956 TRP 631 CH2 420 GLN 567 O 216 0.908E+00 0.669E-01 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1957 TRP 631 CH2 420 LEU 568 N 225 0.830E+00 0.488E-01 -0.324E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1958 TRP 631 CH2 420 LEU 568 CA 226 0.709E+00 0.185E-01 -0.756E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1959 TRP 631 CH2 420 LEU 568 C 227 0.621E+00 -0.137E+00 -0.146E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1960 TRP 631 CH2 420 LEU 568 O 228 0.586E+00 0.151E+00 -0.218E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1961 TRP 631 CH2 420 LEU 568 CB 229 0.666E+00 0.298E-01 -0.110E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1962 TRP 631 CH2 420 LEU 568 CG 230 0.788E+00 -0.289E-01 -0.405E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1963 TRP 631 CH2 420 LEU 568 CD1 231 0.778E+00 0.189E-01 -0.435E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1964 TRP 631 CH2 420 LEU 568 CD2 232 0.848E+00 0.163E-01 -0.261E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1965 TRP 631 CH2 420 THR 569 N 234 0.630E+00 0.568E-01 -0.166E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1966 TRP 631 CH2 420 THR 569 CA 235 0.597E+00 0.702E-01 -0.207E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1967 TRP 631 CH2 420 THR 569 C 236 0.692E+00 -0.107E+00 -0.777E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1968 TRP 631 CH2 420 THR 569 O 237 0.671E+00 0.112E+00 -0.973E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1969 TRP 631 CH2 420 THR 569 CB 238 0.660E+00 -0.501E-01 -0.116E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1970 TRP 631 CH2 420 THR 569 OG1 239 0.797E+00 0.889E-01 -0.389E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1971 TRP 631 CH2 420 THR 569 CG2 240 0.610E+00 0.437E-01 -0.184E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1972 TRP 631 CH2 420 THR 569 HG1 242 0.814E+00 -0.576E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1973 TRP 631 CH2 420 VAL 570 N 243 0.812E+00 0.642E-01 -0.367E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1974 TRP 631 CH2 420 VAL 570 CA 244 0.919E+00 0.605E-02 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1975 TRP 631 CH2 420 VAL 570 C 245 0.898E+00 -0.539E-01 -0.164E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1976 TRP 631 CH2 420 VAL 570 O 246 0.943E+00 0.452E-01 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1977 TRP 631 CH2 420 TRP 571 N 251 0.858E+00 0.557E-01 -0.266E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1978 TRP 631 CH2 420 TRP 571 CA 252 0.859E+00 0.259E-02 -0.241E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1979 TRP 631 CH2 420 TRP 571 C 253 0.770E+00 -0.917E-01 -0.412E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1980 TRP 631 CH2 420 TRP 571 O 254 0.832E+00 0.678E-01 -0.271E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1981 TRP 631 CH2 420 TRP 571 CB 255 0.840E+00 0.132E-01 -0.277E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1982 TRP 631 CH2 420 TRP 571 CG 256 0.864E+00 0.128E-01 -0.206E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1983 TRP 631 CH2 420 TRP 571 CD1 257 0.996E+00 0.179E-01 -0.880E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1984 TRP 631 CH2 420 TRP 571 CD2 258 0.788E+00 -0.135E-01 -0.358E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1985 TRP 631 CH2 420 TRP 571 NE1 259 0.101E+01 0.300E-01 -0.996E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1986 TRP 631 CH2 420 TRP 571 CE2 260 0.899E+00 -0.171E-01 -0.163E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1987 TRP 631 CH2 420 TRP 571 CE3 261 0.659E+00 0.325E-01 -0.103E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1988 TRP 631 CH2 420 TRP 571 CZ2 262 0.901E+00 0.253E-01 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1989 TRP 631 CH2 420 TRP 571 CZ3 263 0.661E+00 0.344E-01 -0.101E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1990 TRP 631 CH2 420 TRP 571 CH2 264 0.791E+00 0.199E-01 -0.349E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1991 TRP 631 CH2 420 GLY 572 N 267 0.647E+00 0.820E-01 -0.142E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1992 TRP 631 CH2 420 GLY 572 CA 268 0.578E+00 0.359E-01 -0.251E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1993 TRP 631 CH2 420 GLY 572 C 269 0.679E+00 -0.116E+00 -0.869E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1994 TRP 631 CH2 420 GLY 572 O 270 0.734E+00 0.872E-01 -0.574E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1995 TRP 631 CH2 420 ILE 573 N 272 0.741E+00 0.760E-01 -0.638E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1996 TRP 631 CH2 420 ILE 573 CA 273 0.859E+00 0.132E-01 -0.241E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1997 TRP 631 CH2 420 ILE 573 C 274 0.971E+00 -0.608E-01 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1998 TRP 631 CH2 420 ILE 573 O 275 0.104E+01 0.600E-01 -0.718E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
1999 TRP 631 CH2 420 ILE 573 CB 276 0.930E+00 -0.708E-02 -0.150E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2000 TRP 631 CH2 420 ILE 573 CG1 277 0.859E+00 -0.285E-02 -0.241E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2001 TRP 631 CH2 420 ILE 573 CD1 279 0.947E+00 0.112E-01 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2002 TRP 631 CH2 420 LYS 574 N 281 0.102E+01 0.436E-01 -0.968E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2003 TRP 631 CH2 420 GLN 575 N 294 0.103E+01 0.381E-01 -0.902E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2004 TRP 631 CH2 420 GLN 575 CA 295 0.104E+01 -0.359E-02 -0.786E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2005 TRP 631 CH2 420 GLN 575 CB 298 0.923E+00 0.370E-02 -0.157E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2006 TRP 631 CH2 420 GLN 575 CG 299 0.927E+00 0.230E-02 -0.153E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2007 TRP 631 CH2 420 LEU 576 N 306 0.988E+00 0.369E-01 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2008 TRP 631 CH2 420 LEU 576 CA 307 0.104E+01 0.979E-02 -0.779E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2009 TRP 631 CH2 420 LEU 576 CB 310 0.953E+00 0.158E-01 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2010 TRP 631 CH2 420 LEU 576 CG 311 0.816E+00 -0.272E-01 -0.327E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2011 TRP 631 CH2 420 LEU 576 CD1 312 0.766E+00 0.195E-01 -0.477E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2012 TRP 631 CH2 420 LEU 576 CD2 313 0.852E+00 0.162E-01 -0.253E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2013 TRP 631 HE1 422 GLN 562 O 161 0.102E+01 -0.135E+00 -0.218E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2014 TRP 631 HE1 422 GLN 563 C 172 0.103E+01 0.995E-01 -0.250E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2015 TRP 631 HE1 422 GLN 563 O 173 0.948E+00 -0.152E+00 -0.343E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2016 TRP 631 HE1 422 HIS 564 N 182 0.102E+01 -0.126E+00 -0.296E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2017 TRP 631 HE1 422 HIS 564 CA 183 0.916E+00 0.877E-02 -0.566E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2018 TRP 631 HE1 422 HIS 564 C 184 0.783E+00 0.244E+00 -0.129E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2019 TRP 631 HE1 422 HIS 564 O 185 0.683E+00 -0.252E+00 -0.245E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2020 TRP 631 HE1 422 HIS 564 CB 186 0.967E+00 -0.395E-01 -0.408E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2021 TRP 631 HE1 422 LEU 565 N 195 0.805E+00 -0.125E+00 -0.125E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2022 TRP 631 HE1 422 LEU 565 CA 196 0.715E+00 -0.440E-01 -0.250E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2023 TRP 631 HE1 422 LEU 565 C 197 0.667E+00 0.286E+00 -0.337E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2024 TRP 631 HE1 422 LEU 565 O 198 0.554E+00 -0.412E+00 -0.856E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2025 TRP 631 HE1 422 LEU 565 CB 199 0.808E+00 -0.502E-01 -0.120E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2026 TRP 631 HE1 422 LEU 565 CG 200 0.854E+00 0.609E-01 -0.862E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2027 TRP 631 HE1 422 LEU 565 CD1 201 0.912E+00 -0.351E-01 -0.582E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2028 TRP 631 HE1 422 LEU 565 CD2 202 0.759E+00 -0.479E-01 -0.175E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2029 TRP 631 HE1 422 LEU 566 N 204 0.770E+00 -0.135E+00 -0.163E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2030 TRP 631 HE1 422 LEU 566 CA 205 0.778E+00 -0.376E-01 -0.151E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2031 TRP 631 HE1 422 LEU 566 C 206 0.699E+00 0.260E+00 -0.253E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2032 TRP 631 HE1 422 LEU 566 O 207 0.651E+00 -0.293E+00 -0.327E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2033 TRP 631 HE1 422 LEU 566 CB 208 0.929E+00 -0.399E-01 -0.521E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2034 TRP 631 HE1 422 LEU 566 CG 209 0.103E+01 0.456E-01 -0.282E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2035 TRP 631 HE1 422 LEU 566 CD2 211 0.102E+01 -0.295E-01 -0.294E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2036 TRP 631 HE1 422 GLN 567 N 213 0.710E+00 -0.171E+00 -0.266E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2037 TRP 631 HE1 422 GLN 567 CA 214 0.675E+00 0.180E-01 -0.353E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2038 TRP 631 HE1 422 GLN 567 C 215 0.530E+00 0.343E+00 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2039 TRP 631 HE1 422 GLN 567 O 216 0.504E+00 -0.519E+00 -0.151E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2040 TRP 631 HE1 422 GLN 567 CB 217 0.758E+00 -0.125E-01 -0.177E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2041 TRP 631 HE1 422 GLN 567 CG 218 0.907E+00 -0.575E-02 -0.600E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2042 TRP 631 HE1 422 GLN 567 CD 219 0.968E+00 0.174E+00 -0.361E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2043 TRP 631 HE1 422 GLN 567 OE1 220 0.914E+00 -0.178E+00 -0.426E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2044 TRP 631 HE1 422 LEU 568 N 225 0.457E+00 -0.413E+00 -0.368E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2045 TRP 631 HE1 422 LEU 568 CA 226 0.323E+00 -0.295E+00 -0.264E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2046 TRP 631 HE1 422 LEU 568 C 227 0.245E+00 0.371E+01 -0.583E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2047 TRP 631 HE1 422 LEU 568 O 228 0.189E+00 -0.776E+01 0.241E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2048 TRP 631 HE1 422 LEU 568 CB 229 0.336E+00 -0.377E+00 -0.214E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2049 TRP 631 HE1 422 LEU 568 CG 230 0.472E+00 0.207E+00 -0.301E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2050 TRP 631 HE1 422 LEU 568 CD1 231 0.534E+00 -0.988E-01 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2051 TRP 631 HE1 422 LEU 568 CD2 232 0.499E+00 -0.116E+00 -0.214E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2052 TRP 631 HE1 422 THR 569 N 234 0.325E+00 -0.701E+00 -0.263E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2053 TRP 631 HE1 422 THR 569 CA 235 0.363E+00 -0.572E+00 -0.137E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2054 TRP 631 HE1 422 THR 569 C 236 0.429E+00 0.765E+00 -0.467E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2055 TRP 631 HE1 422 THR 569 O 237 0.451E+00 -0.666E+00 -0.294E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2056 TRP 631 HE1 422 THR 569 CB 238 0.500E+00 0.223E+00 -0.213E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2057 TRP 631 HE1 422 THR 569 OG1 239 0.592E+00 -0.385E+00 -0.677E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2058 TRP 631 HE1 422 THR 569 CG2 240 0.515E+00 -0.154E+00 -0.178E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2059 TRP 631 HE1 422 THR 569 HG1 242 0.576E+00 0.275E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2060 TRP 631 HE1 422 VAL 570 N 243 0.504E+00 -0.414E+00 -0.206E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2061 TRP 631 HE1 422 VAL 570 CA 244 0.606E+00 -0.316E-01 -0.672E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2062 TRP 631 HE1 422 VAL 570 C 245 0.570E+00 0.311E+00 -0.863E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2063 TRP 631 HE1 422 VAL 570 O 246 0.645E+00 -0.217E+00 -0.346E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2064 TRP 631 HE1 422 VAL 570 CB 247 0.714E+00 0.173E+00 -0.254E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2065 TRP 631 HE1 422 VAL 570 CG1 248 0.829E+00 -0.300E-01 -0.103E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2066 TRP 631 HE1 422 VAL 570 CG2 249 0.788E+00 -0.328E-01 -0.140E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2067 TRP 631 HE1 422 TRP 571 N 251 0.491E+00 -0.419E+00 -0.242E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2068 TRP 631 HE1 422 TRP 571 CA 252 0.496E+00 -0.191E-01 -0.223E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2069 TRP 631 HE1 422 TRP 571 C 253 0.463E+00 0.660E+00 -0.299E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2070 TRP 631 HE1 422 TRP 571 O 254 0.561E+00 -0.356E+00 -0.795E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2071 TRP 631 HE1 422 TRP 571 CB 255 0.450E+00 -0.119E+00 -0.399E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2072 TRP 631 HE1 422 TRP 571 CG 256 0.509E+00 -0.900E-01 -0.170E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2073 TRP 631 HE1 422 TRP 571 CD1 257 0.642E+00 -0.938E-01 -0.423E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2074 TRP 631 HE1 422 TRP 571 CD2 258 0.482E+00 0.919E-01 -0.233E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2075 TRP 631 HE1 422 TRP 571 NE1 259 0.692E+00 -0.138E+00 -0.309E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2076 TRP 631 HE1 422 TRP 571 CE2 260 0.615E+00 0.836E-01 -0.545E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2077 TRP 631 HE1 422 TRP 571 CE3 261 0.404E+00 -0.245E+00 -0.663E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2078 TRP 631 HE1 422 TRP 571 CZ2 262 0.675E+00 -0.103E+00 -0.313E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2079 TRP 631 HE1 422 TRP 571 CZ3 263 0.490E+00 -0.161E+00 -0.213E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2080 TRP 631 HE1 422 TRP 571 CH2 264 0.621E+00 -0.768E-01 -0.515E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2081 TRP 631 HE1 422 TRP 571 HE1 266 0.789E+00 0.117E+00 -0.629E-06
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2082 TRP 631 HE1 422 GLY 572 N 267 0.369E+00 -0.760E+00 -0.130E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2083 TRP 631 HE1 422 GLY 572 CA 268 0.403E+00 -0.207E+00 -0.763E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2084 TRP 631 HE1 422 GLY 572 C 269 0.544E+00 0.448E+00 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2085 TRP 631 HE1 422 GLY 572 O 270 0.639E+00 -0.277E+00 -0.365E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2086 TRP 631 HE1 422 ILE 573 N 272 0.584E+00 -0.297E+00 -0.856E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2087 TRP 631 HE1 422 ILE 573 CA 273 0.727E+00 -0.430E-01 -0.226E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2088 TRP 631 HE1 422 ILE 573 C 274 0.814E+00 0.196E+00 -0.102E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2089 TRP 631 HE1 422 ILE 573 O 275 0.914E+00 -0.176E+00 -0.426E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2090 TRP 631 HE1 422 ILE 573 CB 276 0.779E+00 0.230E-01 -0.150E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2091 TRP 631 HE1 422 ILE 573 CG1 277 0.745E+00 0.888E-02 -0.196E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2092 TRP 631 HE1 422 ILE 573 CG2 278 0.932E+00 -0.358E-01 -0.510E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2093 TRP 631 HE1 422 ILE 573 CD1 279 0.810E+00 -0.351E-01 -0.119E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2094 TRP 631 HE1 422 LYS 574 N 281 0.805E+00 -0.153E+00 -0.125E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2095 TRP 631 HE1 422 LYS 574 CA 282 0.915E+00 -0.111E-01 -0.571E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2096 TRP 631 HE1 422 LYS 574 C 283 0.934E+00 0.199E+00 -0.448E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2097 TRP 631 HE1 422 LYS 574 O 284 0.105E+01 -0.130E+00 -0.187E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2098 TRP 631 HE1 422 LYS 574 CB 285 0.919E+00 -0.304E-01 -0.557E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2099 TRP 631 HE1 422 LYS 574 CG 286 0.948E+00 0.886E-02 -0.462E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2100 TRP 631 HE1 422 LYS 574 CD 287 0.100E+01 -0.118E-01 -0.328E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2101 TRP 631 HE1 422 GLN 575 N 294 0.838E+00 -0.127E+00 -0.981E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2102 TRP 631 HE1 422 GLN 575 CA 295 0.882E+00 0.111E-01 -0.709E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2103 TRP 631 HE1 422 GLN 575 C 296 0.963E+00 0.110E+00 -0.373E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2104 TRP 631 HE1 422 GLN 575 CB 298 0.784E+00 -0.118E-01 -0.144E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2105 TRP 631 HE1 422 GLN 575 CG 299 0.739E+00 -0.818E-02 -0.205E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2106 TRP 631 HE1 422 GLN 575 CD 300 0.866E+00 0.207E+00 -0.702E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2107 TRP 631 HE1 422 GLN 575 OE1 301 0.950E+00 -0.168E+00 -0.340E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2108 TRP 631 HE1 422 GLN 575 NE2 302 0.901E+00 -0.257E+00 -0.636E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2109 TRP 631 HE1 422 LEU 576 N 306 0.919E+00 -0.999E-01 -0.563E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2110 TRP 631 HE1 422 LEU 576 CA 307 0.102E+01 -0.243E-01 -0.299E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2111 TRP 631 HE1 422 LEU 576 CB 310 0.977E+00 -0.369E-01 -0.385E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2112 TRP 631 HE1 422 LEU 576 CG 311 0.878E+00 0.582E-01 -0.732E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2113 TRP 631 HE1 422 LEU 576 CD1 312 0.878E+00 -0.373E-01 -0.730E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2114 TRP 631 HE1 422 LEU 576 CD2 313 0.943E+00 -0.333E-01 -0.475E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2115 ASP 632 N 423 LEU 565 O 198 0.103E+01 0.230E+00 -0.926E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2116 ASP 632 N 423 LEU 565 CD2 202 0.918E+00 0.601E-01 -0.199E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2117 ASP 632 N 423 LEU 568 N 225 0.978E+00 0.157E+00 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2118 ASP 632 N 423 LEU 568 CA 226 0.846E+00 0.565E-01 -0.326E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2119 ASP 632 N 423 LEU 568 C 227 0.856E+00 -0.314E+00 -0.269E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2120 ASP 632 N 423 LEU 568 O 228 0.829E+00 0.323E+00 -0.338E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2121 ASP 632 N 423 LEU 568 CB 229 0.747E+00 0.100E+00 -0.682E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2122 ASP 632 N 423 LEU 568 CG 230 0.772E+00 -0.126E+00 -0.560E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2123 ASP 632 N 423 LEU 568 CD1 231 0.704E+00 0.958E-01 -0.976E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2124 ASP 632 N 423 LEU 568 CD2 232 0.771E+00 0.807E-01 -0.565E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2125 ASP 632 N 423 THR 569 N 234 0.930E+00 0.117E+00 -0.200E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2126 ASP 632 N 423 THR 569 CA 235 0.982E+00 0.119E+00 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2127 ASP 632 N 423 THR 569 CG2 240 0.102E+01 0.734E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2128 ASP 632 N 423 TRP 571 C 253 0.101E+01 -0.245E+00 -0.972E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2129 ASP 632 N 423 TRP 571 CB 255 0.964E+00 0.444E-01 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2130 ASP 632 N 423 TRP 571 CG 256 0.930E+00 0.479E-01 -0.163E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2131 ASP 632 N 423 TRP 571 CD1 257 0.102E+01 0.721E-01 -0.920E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2132 ASP 632 N 423 TRP 571 CD2 258 0.835E+00 -0.514E-01 -0.312E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2133 ASP 632 N 423 TRP 571 NE1 259 0.997E+00 0.128E+00 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2134 ASP 632 N 423 TRP 571 CE2 260 0.889E+00 -0.730E-01 -0.214E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2135 ASP 632 N 423 TRP 571 CE3 261 0.732E+00 0.111E+00 -0.684E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2136 ASP 632 N 423 TRP 571 CZ2 262 0.852E+00 0.117E+00 -0.277E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2137 ASP 632 N 423 TRP 571 CZ3 263 0.687E+00 0.134E+00 -0.100E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2138 ASP 632 N 423 TRP 571 CH2 264 0.752E+00 0.913E-01 -0.580E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2139 ASP 632 N 423 GLY 572 N 267 0.944E+00 0.175E+00 -0.183E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2140 ASP 632 N 423 GLY 572 CA 268 0.920E+00 0.629E-01 -0.197E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2141 ASP 632 CA 424 LEU 565 CG 200 0.105E+01 0.968E-03 -0.838E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2142 ASP 632 CA 424 LEU 565 CD2 202 0.894E+00 -0.786E-03 -0.214E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2143 ASP 632 CA 424 LEU 568 N 225 0.105E+01 -0.179E-02 -0.908E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2144 ASP 632 CA 424 LEU 568 CA 226 0.920E+00 -0.617E-03 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2145 ASP 632 CA 424 LEU 568 C 227 0.926E+00 0.346E-02 -0.154E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2146 ASP 632 CA 424 LEU 568 O 228 0.910E+00 -0.347E-02 -0.178E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2147 ASP 632 CA 424 LEU 568 CB 229 0.810E+00 -0.109E-02 -0.387E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2148 ASP 632 CA 424 LEU 568 CG 230 0.835E+00 0.137E-02 -0.321E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2149 ASP 632 CA 424 LEU 568 CD1 231 0.749E+00 -0.107E-02 -0.618E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2150 ASP 632 CA 424 LEU 568 CD2 232 0.856E+00 -0.846E-03 -0.279E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2151 ASP 632 CA 424 THR 569 N 234 0.985E+00 -0.135E-02 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2152 ASP 632 CA 424 THR 569 CA 235 0.103E+01 -0.140E-02 -0.914E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2153 ASP 632 CA 424 THR 569 CG2 240 0.103E+01 -0.903E-03 -0.899E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2154 ASP 632 CA 424 TRP 571 CD2 258 0.963E+00 0.512E-03 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2155 ASP 632 CA 424 TRP 571 CE2 260 0.102E+01 0.738E-03 -0.841E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2156 ASP 632 CA 424 TRP 571 CE3 261 0.854E+00 -0.106E-02 -0.250E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2157 ASP 632 CA 424 TRP 571 CZ2 262 0.988E+00 -0.116E-02 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2158 ASP 632 CA 424 TRP 571 CZ3 263 0.811E+00 -0.123E-02 -0.339E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2159 ASP 632 CA 424 TRP 571 CH2 264 0.884E+00 -0.866E-03 -0.203E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2160 ASP 632 CA 424 GLY 572 N 267 0.104E+01 -0.191E-02 -0.959E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2161 ASP 632 CA 424 GLY 572 CA 268 0.101E+01 -0.689E-03 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2162 ASP 632 C 425 LEU 565 CA 196 0.105E+01 -0.322E-01 -0.737E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2163 ASP 632 C 425 LEU 565 CG 200 0.100E+01 0.651E-01 -0.955E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2164 ASP 632 C 425 LEU 565 CD2 202 0.850E+00 -0.541E-01 -0.256E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2165 ASP 632 C 425 LEU 568 CA 226 0.954E+00 -0.369E-01 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2166 ASP 632 C 425 LEU 568 C 227 0.979E+00 0.201E+00 -0.975E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2167 ASP 632 C 425 LEU 568 O 228 0.980E+00 -0.196E+00 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2168 ASP 632 C 425 LEU 568 CB 229 0.828E+00 -0.662E-01 -0.300E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2169 ASP 632 C 425 LEU 568 CG 230 0.829E+00 0.881E-01 -0.299E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2170 ASP 632 C 425 LEU 568 CD1 231 0.721E+00 -0.726E-01 -0.685E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2171 ASP 632 C 425 LEU 568 CD2 232 0.854E+00 -0.537E-01 -0.250E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2172 ASP 632 C 425 THR 569 N 234 0.104E+01 -0.793E-01 -0.859E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2173 ASP 632 C 425 TRP 571 CE3 261 0.957E+00 -0.560E-01 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2174 ASP 632 C 425 TRP 571 CZ3 263 0.925E+00 -0.629E-01 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2175 ASP 632 C 425 TRP 571 CH2 264 0.995E+00 -0.456E-01 -0.888E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2176 ASP 632 O 426 LEU 565 CA 196 0.100E+01 0.388E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2177 ASP 632 O 426 LEU 565 O 198 0.104E+01 0.203E+00 -0.720E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2178 ASP 632 O 426 LEU 565 CB 199 0.102E+01 0.541E-01 -0.920E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2179 ASP 632 O 426 LEU 565 CG 200 0.929E+00 -0.828E-01 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2180 ASP 632 O 426 LEU 565 CD1 201 0.973E+00 0.494E-01 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2181 ASP 632 O 426 LEU 565 CD2 202 0.778E+00 0.713E-01 -0.455E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2182 ASP 632 O 426 LEU 568 CA 226 0.967E+00 0.409E-01 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2183 ASP 632 O 426 LEU 568 C 227 0.993E+00 -0.223E+00 -0.939E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2184 ASP 632 O 426 LEU 568 O 228 0.101E+01 0.213E+00 -0.881E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2185 ASP 632 O 426 LEU 568 CB 229 0.833E+00 0.741E-01 -0.303E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2186 ASP 632 O 426 LEU 568 CG 230 0.832E+00 -0.990E-01 -0.305E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2187 ASP 632 O 426 LEU 568 CD1 231 0.713E+00 0.839E-01 -0.771E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2188 ASP 632 O 426 LEU 568 CD2 232 0.877E+00 0.581E-01 -0.224E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2189 ASP 632 O 426 THR 569 N 234 0.104E+01 0.897E-01 -0.889E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2190 ASP 632 O 426 TRP 571 CE3 261 0.103E+01 0.566E-01 -0.745E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2191 ASP 632 O 426 TRP 571 CZ3 263 0.101E+01 0.622E-01 -0.844E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2192 ASP 632 CB 427 LEU 565 CD2 202 0.103E+01 0.436E-02 -0.929E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2193 ASP 632 CB 427 LEU 568 O 228 0.103E+01 0.198E-01 -0.859E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2194 ASP 632 CB 427 LEU 568 CB 229 0.950E+00 0.574E-02 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2195 ASP 632 CB 427 LEU 568 CG 230 0.979E+00 -0.731E-02 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2196 ASP 632 CB 427 LEU 568 CD1 231 0.895E+00 0.539E-02 -0.214E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2197 ASP 632 CB 427 LEU 568 CD2 232 0.994E+00 0.458E-02 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2198 ASP 632 CB 427 TRP 571 CD2 258 0.105E+01 -0.311E-02 -0.742E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2199 ASP 632 CB 427 TRP 571 CE3 261 0.932E+00 0.632E-02 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2200 ASP 632 CB 427 TRP 571 CZ2 262 0.104E+01 0.731E-02 -0.750E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2201 ASP 632 CB 427 TRP 571 CZ3 263 0.870E+00 0.752E-02 -0.223E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2202 ASP 632 CB 427 TRP 571 CH2 264 0.932E+00 0.546E-02 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2203 ASP 632 CG 428 LEU 568 CB 229 0.100E+01 -0.825E-01 -0.972E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2204 ASP 632 CG 428 LEU 568 CG 230 0.105E+01 0.103E+00 -0.736E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2205 ASP 632 CG 428 LEU 568 CD1 231 0.967E+00 -0.741E-01 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2206 ASP 632 CG 428 TRP 571 CE3 261 0.970E+00 -0.923E-01 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2207 ASP 632 CG 428 TRP 571 CZ3 263 0.907E+00 -0.109E+00 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2208 ASP 632 CG 428 TRP 571 CH2 264 0.978E+00 -0.787E-01 -0.981E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2209 ASP 632 OD1 429 LEU 565 CD2 202 0.101E+01 0.683E-01 -0.976E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2210 ASP 632 OD1 429 LEU 568 CB 229 0.102E+01 0.787E-01 -0.914E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2211 ASP 632 OD1 429 LEU 568 CD1 231 0.976E+00 0.716E-01 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2212 ASP 632 OD1 429 TRP 571 CZ3 263 0.998E+00 0.923E-01 -0.912E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2213 ASP 632 OD2 430 LEU 568 CB 229 0.104E+01 0.762E-01 -0.796E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2214 ASP 632 OD2 430 LEU 568 CD1 231 0.103E+01 0.658E-01 -0.835E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2215 ASP 632 OD2 430 TRP 571 CE3 261 0.937E+00 0.954E-01 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2216 ASP 632 OD2 430 TRP 571 CZ3 263 0.861E+00 0.116E+00 -0.221E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2217 ASP 632 OD2 430 TRP 571 CH2 264 0.927E+00 0.837E-01 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2218 ASP 632 OD2 430 GLY 572 CA 268 0.103E+01 0.689E-01 -0.831E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2219 ARG 633 N 432 LEU 565 CD2 202 0.923E+00 0.322E-01 -0.194E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2220 ARG 633 N 432 LEU 568 CA 226 0.999E+00 0.234E-01 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2221 ARG 633 N 432 LEU 568 C 227 0.104E+01 -0.125E+00 -0.841E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2222 ARG 633 N 432 LEU 568 O 228 0.104E+01 0.122E+00 -0.880E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2223 ARG 633 N 432 LEU 568 CB 229 0.875E+00 0.410E-01 -0.266E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2224 ARG 633 N 432 LEU 568 CG 230 0.857E+00 -0.566E-01 -0.302E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2225 ARG 633 N 432 LEU 568 CD1 231 0.748E+00 0.460E-01 -0.675E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2226 ARG 633 N 432 LEU 568 CD2 232 0.862E+00 0.359E-01 -0.290E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2227 ARG 633 N 432 TRP 571 CE3 261 0.985E+00 0.365E-01 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2228 ARG 633 N 432 TRP 571 CZ3 263 0.948E+00 0.411E-01 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2229 ARG 633 N 432 TRP 571 CH2 264 0.100E+01 0.307E-01 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2230 ARG 633 CA 433 LEU 565 CD2 202 0.930E+00 0.138E-01 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2231 ARG 633 CA 433 LEU 568 CB 229 0.934E+00 0.161E-01 -0.165E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2232 ARG 633 CA 433 LEU 568 CG 230 0.895E+00 -0.229E-01 -0.213E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2233 ARG 633 CA 433 LEU 568 CD1 231 0.773E+00 0.189E-01 -0.509E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2234 ARG 633 CA 433 LEU 568 CD2 232 0.902E+00 0.145E-01 -0.203E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2235 ARG 633 C 434 HIS 564 C 184 0.103E+01 0.357E+00 -0.734E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2236 ARG 633 C 434 HIS 564 O 185 0.100E+01 -0.295E+00 -0.882E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2237 ARG 633 C 434 HIS 564 CB 186 0.102E+01 -0.831E-01 -0.874E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2238 ARG 633 C 434 HIS 564 HD1 193 0.103E+01 0.864E-01 -0.253E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2239 ARG 633 C 434 LEU 565 N 195 0.102E+01 -0.193E+00 -0.920E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2240 ARG 633 C 434 LEU 565 CA 196 0.997E+00 -0.569E-01 -0.990E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2241 ARG 633 C 434 LEU 565 CB 199 0.103E+01 -0.769E-01 -0.791E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2242 ARG 633 C 434 LEU 565 CG 200 0.955E+00 0.116E+00 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2243 ARG 633 C 434 LEU 565 CD1 201 0.104E+01 -0.654E-01 -0.776E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2244 ARG 633 C 434 LEU 565 CD2 202 0.811E+00 -0.967E-01 -0.341E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2245 ARG 633 C 434 LEU 568 CA 226 0.971E+00 -0.593E-01 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2246 ARG 633 C 434 LEU 568 C 227 0.104E+01 0.304E+00 -0.684E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2247 ARG 633 C 434 LEU 568 CB 229 0.833E+00 -0.108E+00 -0.291E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2248 ARG 633 C 434 LEU 568 CG 230 0.778E+00 0.162E+00 -0.435E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2249 ARG 633 C 434 LEU 568 CD1 231 0.648E+00 -0.147E+00 -0.128E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2250 ARG 633 C 434 LEU 568 CD2 232 0.792E+00 -0.101E+00 -0.392E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2251 ARG 633 O 435 HIS 564 C 184 0.101E+01 -0.289E+00 -0.844E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2252 ARG 633 O 435 HIS 564 O 185 0.100E+01 0.234E+00 -0.904E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2253 ARG 633 O 435 HIS 564 CB 186 0.988E+00 0.688E-01 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2254 ARG 633 O 435 HIS 564 HD1 193 0.982E+00 -0.731E-01 -0.278E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2255 ARG 633 O 435 LEU 565 N 195 0.997E+00 0.158E+00 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2256 ARG 633 O 435 LEU 565 CA 196 0.974E+00 0.466E-01 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2257 ARG 633 O 435 LEU 565 CB 199 0.999E+00 0.641E-01 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2258 ARG 633 O 435 LEU 565 CG 200 0.906E+00 -0.993E-01 -0.184E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2259 ARG 633 O 435 LEU 565 CD1 201 0.986E+00 0.558E-01 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2260 ARG 633 O 435 LEU 565 CD2 202 0.768E+00 0.843E-01 -0.494E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2261 ARG 633 O 435 LEU 568 CA 226 0.101E+01 0.442E-01 -0.953E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2262 ARG 633 O 435 LEU 568 CB 229 0.866E+00 0.801E-01 -0.240E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2263 ARG 633 O 435 LEU 568 CG 230 0.804E+00 -0.121E+00 -0.374E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2264 ARG 633 O 435 LEU 568 CD1 231 0.664E+00 0.111E+00 -0.118E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2265 ARG 633 O 435 LEU 568 CD2 232 0.834E+00 0.729E-01 -0.302E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2266 ARG 633 CB 436 LEU 568 CB 229 0.103E+01 0.394E-02 -0.938E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2267 ARG 633 CB 436 LEU 568 CG 230 0.975E+00 -0.568E-02 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2268 ARG 633 CB 436 LEU 568 CD1 231 0.859E+00 0.444E-02 -0.272E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2269 ARG 633 CB 436 LEU 568 CD2 232 0.961E+00 0.371E-02 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2270 ARG 633 CG 437 LEU 568 CD1 231 0.100E+01 -0.113E-02 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2271 GLU 634 N 449 HIS 564 CA 183 0.101E+01 -0.991E-02 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2272 GLU 634 N 449 HIS 564 C 184 0.938E+00 -0.237E+00 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2273 GLU 634 N 449 HIS 564 O 185 0.905E+00 0.201E+00 -0.200E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2274 GLU 634 N 449 HIS 564 CB 186 0.936E+00 0.546E-01 -0.178E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2275 GLU 634 N 449 HIS 564 CG 187 0.102E+01 -0.874E-01 -0.922E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2276 GLU 634 N 449 HIS 564 ND1 188 0.102E+01 0.133E+00 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2277 GLU 634 N 449 HIS 564 HD1 193 0.961E+00 -0.552E-01 -0.432E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2278 GLU 634 N 449 LEU 565 N 195 0.948E+00 0.125E+00 -0.179E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2279 GLU 634 N 449 LEU 565 CA 196 0.925E+00 0.370E-01 -0.190E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2280 GLU 634 N 449 LEU 565 C 197 0.102E+01 -0.181E+00 -0.945E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2281 GLU 634 N 449 LEU 565 O 198 0.994E+00 0.183E+00 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2282 GLU 634 N 449 LEU 565 CB 199 0.981E+00 0.482E-01 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2283 GLU 634 N 449 LEU 565 CG 200 0.918E+00 -0.712E-01 -0.200E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2284 GLU 634 N 449 LEU 565 CD1 201 0.101E+01 0.393E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2285 GLU 634 N 449 LEU 565 CD2 202 0.774E+00 0.608E-01 -0.554E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2286 GLU 634 N 449 LEU 568 N 225 0.953E+00 0.124E+00 -0.174E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2287 GLU 634 N 449 LEU 568 CA 226 0.859E+00 0.416E-01 -0.296E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2288 GLU 634 N 449 LEU 568 C 227 0.935E+00 -0.206E+00 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2289 GLU 634 N 449 LEU 568 O 228 0.957E+00 0.194E+00 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2290 GLU 634 N 449 LEU 568 CB 229 0.726E+00 0.800E-01 -0.808E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2291 GLU 634 N 449 LEU 568 CG 230 0.667E+00 -0.126E+00 -0.134E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2292 GLU 634 N 449 LEU 568 CD1 231 0.546E+00 0.123E+00 -0.427E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2293 GLU 634 N 449 LEU 568 CD2 232 0.668E+00 0.805E-01 -0.133E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2294 GLU 634 N 449 THR 569 N 234 0.101E+01 0.789E-01 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2295 GLU 634 N 449 TRP 571 CD2 258 0.103E+01 -0.280E-01 -0.880E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2296 GLU 634 N 449 TRP 571 CE3 261 0.972E+00 0.523E-01 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2297 GLU 634 N 449 TRP 571 CZ3 263 0.971E+00 0.558E-01 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2298 GLU 634 N 449 TRP 571 CH2 264 0.103E+01 0.416E-01 -0.898E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2299 GLU 634 CA 450 ALA 561 O 155 0.950E+00 -0.147E-01 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2300 GLU 634 CA 450 HIS 564 N 182 0.100E+01 -0.129E-01 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2301 GLU 634 CA 450 HIS 564 CA 183 0.874E+00 0.940E-03 -0.245E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2302 GLU 634 CA 450 HIS 564 C 184 0.808E+00 0.229E-01 -0.346E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2303 GLU 634 CA 450 HIS 564 O 185 0.781E+00 -0.195E-01 -0.446E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2304 GLU 634 CA 450 HIS 564 CB 186 0.794E+00 -0.543E-02 -0.435E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2305 GLU 634 CA 450 HIS 564 CG 187 0.880E+00 0.834E-02 -0.209E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2306 GLU 634 CA 450 HIS 564 ND1 188 0.880E+00 -0.127E-01 -0.257E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2307 GLU 634 CA 450 HIS 564 CD2 189 0.997E+00 -0.737E-02 -0.990E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2308 GLU 634 CA 450 HIS 564 CE1 190 0.987E+00 0.652E-03 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2309 GLU 634 CA 450 HIS 564 HD1 193 0.819E+00 0.542E-02 -0.111E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2310 GLU 634 CA 450 LEU 565 N 195 0.822E+00 -0.119E-01 -0.386E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2311 GLU 634 CA 450 LEU 565 CA 196 0.813E+00 -0.347E-02 -0.379E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2312 GLU 634 CA 450 LEU 565 C 197 0.914E+00 0.162E-01 -0.167E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2313 GLU 634 CA 450 LEU 565 O 198 0.900E+00 -0.161E-01 -0.191E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2314 GLU 634 CA 450 LEU 565 CB 199 0.874E+00 -0.437E-02 -0.245E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2315 GLU 634 CA 450 LEU 565 CG 200 0.818E+00 0.651E-02 -0.363E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2316 GLU 634 CA 450 LEU 565 CD1 201 0.927E+00 -0.339E-02 -0.172E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2317 GLU 634 CA 450 LEU 565 CD2 202 0.682E+00 -0.583E-02 -0.107E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2318 GLU 634 CA 450 LEU 566 N 204 0.103E+01 -0.834E-02 -0.989E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2319 GLU 634 CA 450 GLN 567 C 215 0.973E+00 0.107E-01 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2320 GLU 634 CA 450 GLN 567 O 216 0.103E+01 -0.134E-01 -0.873E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2321 GLU 634 CA 450 GLN 567 CB 217 0.103E+01 -0.750E-03 -0.896E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2322 GLU 634 CA 450 LEU 568 N 225 0.859E+00 -0.111E-01 -0.297E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2323 GLU 634 CA 450 LEU 568 CA 226 0.781E+00 -0.371E-02 -0.479E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2324 GLU 634 CA 450 LEU 568 C 227 0.872E+00 0.174E-01 -0.220E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2325 GLU 634 CA 450 LEU 568 O 228 0.909E+00 -0.159E-01 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2326 GLU 634 CA 450 LEU 568 CB 229 0.645E+00 -0.765E-02 -0.150E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2327 GLU 634 CA 450 LEU 568 CG 230 0.564E+00 0.136E-01 -0.324E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2328 GLU 634 CA 450 LEU 568 CD1 231 0.437E+00 -0.160E-01 -0.123E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2329 GLU 634 CA 450 LEU 568 CD2 232 0.572E+00 -0.844E-02 -0.300E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2330 GLU 634 CA 450 THR 569 N 234 0.941E+00 -0.661E-02 -0.172E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2331 GLU 634 CA 450 TRP 571 CB 255 0.104E+01 -0.226E-02 -0.843E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2332 GLU 634 CA 450 TRP 571 CD2 258 0.102E+01 0.214E-02 -0.852E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2333 GLU 634 CA 450 TRP 571 CE3 261 0.975E+00 -0.393E-02 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2334 GLU 634 CA 450 TRP 571 CZ3 263 0.994E+00 -0.407E-02 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2335 GLU 634 C 451 ALA 561 CA 153 0.995E+00 -0.102E-01 -0.998E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2336 GLU 634 C 451 ALA 561 C 154 0.953E+00 0.221E+00 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2337 GLU 634 C 451 ALA 561 O 155 0.848E+00 -0.260E+00 -0.241E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2338 GLU 634 C 451 ALA 561 CB 156 0.101E+01 -0.818E-01 -0.912E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2339 GLU 634 C 451 GLN 562 O 161 0.102E+01 -0.198E+00 -0.799E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2340 GLU 634 C 451 GLN 563 C 172 0.102E+01 0.147E+00 -0.767E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2341 GLU 634 C 451 GLN 563 O 173 0.102E+01 -0.198E+00 -0.799E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2342 GLU 634 C 451 HIS 564 N 182 0.926E+00 -0.214E+00 -0.168E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2343 GLU 634 C 451 HIS 564 CA 183 0.807E+00 0.158E-01 -0.349E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2344 GLU 634 C 451 HIS 564 C 184 0.728E+00 0.407E+00 -0.574E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2345 GLU 634 C 451 HIS 564 O 185 0.711E+00 -0.340E+00 -0.694E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2346 GLU 634 C 451 HIS 564 CB 186 0.735E+00 -0.918E-01 -0.611E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2347 GLU 634 C 451 HIS 564 CG 187 0.838E+00 0.133E+00 -0.247E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2348 GLU 634 C 451 HIS 564 ND1 188 0.849E+00 -0.198E+00 -0.283E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2349 GLU 634 C 451 HIS 564 CD2 189 0.962E+00 -0.114E+00 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2350 GLU 634 C 451 HIS 564 CE1 190 0.966E+00 0.989E-02 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2351 GLU 634 C 451 HIS 564 NE2 191 0.103E+01 -0.341E-01 -0.905E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2352 GLU 634 C 451 HIS 564 HD1 193 0.788E+00 0.851E-01 -0.124E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2353 GLU 634 C 451 LEU 565 N 195 0.721E+00 -0.222E+00 -0.747E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2354 GLU 634 C 451 LEU 565 CA 196 0.698E+00 -0.673E-01 -0.831E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2355 GLU 634 C 451 LEU 565 C 197 0.805E+00 0.294E+00 -0.315E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2356 GLU 634 C 451 LEU 565 O 198 0.795E+00 -0.292E+00 -0.356E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2357 GLU 634 C 451 LEU 565 CB 199 0.744E+00 -0.850E-01 -0.569E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2358 GLU 634 C 451 LEU 565 CG 200 0.678E+00 0.135E+00 -0.985E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2359 GLU 634 C 451 LEU 565 CD1 201 0.781E+00 -0.665E-01 -0.427E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2360 GLU 634 C 451 LEU 565 CD2 202 0.538E+00 -0.142E+00 -0.374E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2361 GLU 634 C 451 LEU 566 N 204 0.927E+00 -0.144E+00 -0.167E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2362 GLU 634 C 451 LEU 566 CA 205 0.104E+01 -0.344E-01 -0.763E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2363 GLU 634 C 451 LEU 566 C 206 0.103E+01 0.198E+00 -0.710E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2364 GLU 634 C 451 GLN 567 N 213 0.991E+00 -0.142E+00 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2365 GLU 634 C 451 GLN 567 CA 214 0.100E+01 0.133E-01 -0.944E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2366 GLU 634 C 451 GLN 567 C 215 0.924E+00 0.171E+00 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2367 GLU 634 C 451 GLN 567 O 216 0.986E+00 -0.208E+00 -0.978E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2368 GLU 634 C 451 GLN 567 CB 217 0.995E+00 -0.117E-01 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2369 GLU 634 C 451 LEU 568 N 225 0.800E+00 -0.184E+00 -0.402E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2370 GLU 634 C 451 LEU 568 CA 226 0.729E+00 -0.619E-01 -0.639E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2371 GLU 634 C 451 LEU 568 C 227 0.812E+00 0.289E+00 -0.299E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2372 GLU 634 C 451 LEU 568 O 228 0.863E+00 -0.254E+00 -0.218E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2373 GLU 634 C 451 LEU 568 CB 229 0.582E+00 -0.139E+00 -0.239E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2374 GLU 634 C 451 LEU 568 CG 230 0.514E+00 0.246E+00 -0.483E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2375 GLU 634 C 451 LEU 568 CD1 231 0.370E+00 -0.361E+00 -0.151E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2376 GLU 634 C 451 LEU 568 CD2 232 0.562E+00 -0.129E+00 -0.294E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2377 GLU 634 C 451 THR 569 N 234 0.862E+00 -0.112E+00 -0.258E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2378 GLU 634 C 451 THR 569 CA 235 0.969E+00 -0.103E+00 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2379 GLU 634 C 451 THR 569 CB 238 0.103E+01 0.828E-01 -0.833E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2380 GLU 634 C 451 THR 569 CG2 240 0.939E+00 -0.700E-01 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2381 GLU 634 C 451 THR 569 HG1 242 0.102E+01 0.142E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2382 GLU 634 C 451 TRP 571 CB 255 0.104E+01 -0.334E-01 -0.759E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2383 GLU 634 C 451 TRP 571 CD2 258 0.104E+01 0.306E-01 -0.668E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2384 GLU 634 C 451 TRP 571 CE3 261 0.988E+00 -0.567E-01 -0.927E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2385 GLU 634 C 451 TRP 571 CZ3 263 0.102E+01 -0.578E-01 -0.777E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2386 GLU 634 O 452 GLU 560 O 145 0.990E+00 0.275E+00 -0.975E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2387 GLU 634 O 452 ALA 561 N 152 0.102E+01 0.180E+00 -0.994E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2388 GLU 634 O 452 ALA 561 CA 153 0.880E+00 0.156E-01 -0.219E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2389 GLU 634 O 452 ALA 561 C 154 0.844E+00 -0.340E+00 -0.249E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2390 GLU 634 O 452 ALA 561 O 155 0.744E+00 0.413E+00 -0.539E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2391 GLU 634 O 452 ALA 561 CB 156 0.890E+00 0.126E+00 -0.204E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2392 GLU 634 O 452 GLN 562 N 158 0.951E+00 0.190E+00 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2393 GLU 634 O 452 GLN 562 CA 159 0.958E+00 -0.180E-01 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2394 GLU 634 O 452 GLN 562 C 160 0.966E+00 -0.201E+00 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2395 GLU 634 O 452 GLN 562 O 161 0.943E+00 0.282E+00 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2396 GLU 634 O 452 GLN 563 N 170 0.103E+01 0.170E+00 -0.944E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2397 GLU 634 O 452 GLN 563 C 172 0.946E+00 -0.208E+00 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2398 GLU 634 O 452 GLN 563 O 173 0.959E+00 0.274E+00 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2399 GLU 634 O 452 HIS 564 N 182 0.845E+00 0.314E+00 -0.300E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2400 GLU 634 O 452 HIS 564 CA 183 0.736E+00 -0.236E-01 -0.638E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2401 GLU 634 O 452 HIS 564 C 184 0.666E+00 -0.610E+00 -0.102E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2402 GLU 634 O 452 HIS 564 O 185 0.669E+00 0.483E+00 -0.102E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2403 GLU 634 O 452 HIS 564 CB 186 0.652E+00 0.146E+00 -0.131E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2404 GLU 634 O 452 HIS 564 CG 187 0.754E+00 -0.202E+00 -0.489E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2405 GLU 634 O 452 HIS 564 ND1 188 0.758E+00 0.305E+00 -0.578E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2406 GLU 634 O 452 HIS 564 CD2 189 0.883E+00 0.165E+00 -0.190E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2407 GLU 634 O 452 HIS 564 CE1 190 0.878E+00 -0.145E-01 -0.196E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2408 GLU 634 O 452 HIS 564 NE2 191 0.944E+00 0.487E-01 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2409 GLU 634 O 452 HIS 564 HD1 193 0.692E+00 -0.137E+00 -0.226E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2410 GLU 634 O 452 LEU 565 N 195 0.651E+00 0.343E+00 -0.143E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2411 GLU 634 O 452 LEU 565 CA 196 0.641E+00 0.101E+00 -0.145E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2412 GLU 634 O 452 LEU 565 C 197 0.764E+00 -0.407E+00 -0.453E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2413 GLU 634 O 452 LEU 565 O 198 0.772E+00 0.388E+00 -0.430E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2414 GLU 634 O 452 LEU 565 CB 199 0.677E+00 0.129E+00 -0.105E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2415 GLU 634 O 452 LEU 565 CG 200 0.604E+00 -0.217E+00 -0.206E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2416 GLU 634 O 452 LEU 565 CD1 201 0.714E+00 0.990E-01 -0.762E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2417 GLU 634 O 452 LEU 565 CD2 202 0.476E+00 0.239E+00 -0.795E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2418 GLU 634 O 452 LEU 566 N 204 0.879E+00 0.198E+00 -0.239E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2419 GLU 634 O 452 LEU 566 CA 205 0.100E+01 0.459E-01 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2420 GLU 634 O 452 LEU 566 C 206 0.101E+01 -0.258E+00 -0.861E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2421 GLU 634 O 452 GLN 567 N 213 0.963E+00 0.187E+00 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2422 GLU 634 O 452 GLN 567 CA 214 0.990E+00 -0.171E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2423 GLU 634 O 452 GLN 567 C 215 0.926E+00 -0.215E+00 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2424 GLU 634 O 452 GLN 567 O 216 0.100E+01 0.257E+00 -0.906E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2425 GLU 634 O 452 GLN 567 CB 217 0.974E+00 0.152E-01 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2426 GLU 634 O 452 LEU 568 N 225 0.802E+00 0.231E+00 -0.411E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2427 GLU 634 O 452 LEU 568 CA 226 0.752E+00 0.738E-01 -0.560E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2428 GLU 634 O 452 LEU 568 C 227 0.843E+00 -0.342E+00 -0.251E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2429 GLU 634 O 452 LEU 568 O 228 0.908E+00 0.295E+00 -0.163E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2430 GLU 634 O 452 LEU 568 CB 229 0.604E+00 0.163E+00 -0.205E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2431 GLU 634 O 452 LEU 568 CG 230 0.521E+00 -0.302E+00 -0.485E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2432 GLU 634 O 452 LEU 568 CD1 231 0.371E+00 0.453E+00 -0.236E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2433 GLU 634 O 452 LEU 568 CD2 232 0.584E+00 0.149E+00 -0.249E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2434 GLU 634 O 452 THR 569 N 234 0.881E+00 0.136E+00 -0.234E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2435 GLU 634 O 452 THR 569 CA 235 0.994E+00 0.125E+00 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2436 GLU 634 O 452 THR 569 CB 238 0.104E+01 -0.103E+00 -0.818E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2437 GLU 634 O 452 THR 569 CG2 240 0.944E+00 0.875E-01 -0.144E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2438 GLU 634 O 452 THR 569 HG1 242 0.101E+01 -0.182E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2439 GLU 634 CB 453 ALA 561 O 155 0.947E+00 -0.347E-01 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2440 GLU 634 CB 453 GLN 563 C 172 0.104E+01 0.227E-01 -0.746E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2441 GLU 634 CB 453 GLN 563 O 173 0.103E+01 -0.312E-01 -0.850E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2442 GLU 634 CB 453 HIS 564 N 182 0.953E+00 -0.327E-01 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2443 GLU 634 CB 453 HIS 564 CA 183 0.815E+00 0.248E-02 -0.372E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2444 GLU 634 CB 453 HIS 564 C 184 0.751E+00 0.613E-01 -0.537E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2445 GLU 634 CB 453 HIS 564 O 185 0.706E+00 -0.550E-01 -0.812E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2446 GLU 634 CB 453 HIS 564 CB 186 0.747E+00 -0.142E-01 -0.627E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2447 GLU 634 CB 453 HIS 564 CG 187 0.829E+00 0.216E-01 -0.298E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2448 GLU 634 CB 453 HIS 564 ND1 188 0.840E+00 -0.321E-01 -0.339E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2449 GLU 634 CB 453 HIS 564 CD2 189 0.934E+00 -0.191E-01 -0.147E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2450 GLU 634 CB 453 HIS 564 CE1 190 0.941E+00 0.164E-02 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2451 GLU 634 CB 453 HIS 564 NE2 191 0.992E+00 -0.572E-02 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2452 GLU 634 CB 453 HIS 564 HD1 193 0.792E+00 0.135E-01 -0.136E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2453 GLU 634 CB 453 LEU 565 N 195 0.786E+00 -0.302E-01 -0.503E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2454 GLU 634 CB 453 LEU 565 CA 196 0.784E+00 -0.865E-02 -0.470E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2455 GLU 634 CB 453 LEU 565 C 197 0.869E+00 0.411E-01 -0.225E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2456 GLU 634 CB 453 LEU 565 O 198 0.849E+00 -0.416E-01 -0.271E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2457 GLU 634 CB 453 LEU 565 CB 199 0.869E+00 -0.103E-01 -0.254E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2458 GLU 634 CB 453 LEU 565 CG 200 0.839E+00 0.146E-01 -0.314E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2459 GLU 634 CB 453 LEU 565 CD1 201 0.958E+00 -0.757E-02 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2460 GLU 634 CB 453 LEU 565 CD2 202 0.709E+00 -0.127E-01 -0.854E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2461 GLU 634 CB 453 LEU 566 N 204 0.983E+00 -0.210E-01 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2462 GLU 634 CB 453 LEU 566 C 206 0.104E+01 0.312E-01 -0.764E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2463 GLU 634 CB 453 GLN 567 N 213 0.977E+00 -0.231E-01 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2464 GLU 634 CB 453 GLN 567 CA 214 0.957E+00 0.228E-02 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2465 GLU 634 CB 453 GLN 567 C 215 0.867E+00 0.302E-01 -0.229E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2466 GLU 634 CB 453 GLN 567 O 216 0.912E+00 -0.375E-01 -0.176E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2467 GLU 634 CB 453 GLN 567 CB 217 0.925E+00 -0.208E-02 -0.175E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2468 GLU 634 CB 453 GLN 567 CG 218 0.105E+01 -0.108E-02 -0.838E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2469 GLU 634 CB 453 LEU 568 N 225 0.763E+00 -0.320E-01 -0.604E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2470 GLU 634 CB 453 LEU 568 CA 226 0.683E+00 -0.112E-01 -0.106E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2471 GLU 634 CB 453 LEU 568 C 227 0.784E+00 0.491E-01 -0.416E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2472 GLU 634 CB 453 LEU 568 O 228 0.816E+00 -0.446E-01 -0.345E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2473 GLU 634 CB 453 LEU 568 CB 229 0.560E+00 -0.243E-01 -0.339E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2474 GLU 634 CB 453 LEU 568 CG 230 0.470E+00 0.485E-01 -0.868E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2475 GLU 634 CB 453 LEU 568 CD1 231 0.369E+00 -0.580E-01 -0.169E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2476 GLU 634 CB 453 LEU 568 CD2 232 0.448E+00 -0.350E-01 -0.109E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2477 GLU 634 CB 453 THR 569 N 234 0.866E+00 -0.177E-01 -0.282E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2478 GLU 634 CB 453 THR 569 CA 235 0.984E+00 -0.160E-01 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2479 GLU 634 CB 453 THR 569 CG2 240 0.102E+01 -0.992E-02 -0.998E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2480 GLU 634 CB 453 TRP 571 CB 255 0.919E+00 -0.643E-02 -0.181E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2481 GLU 634 CB 453 TRP 571 CG 256 0.926E+00 -0.648E-02 -0.154E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2482 GLU 634 CB 453 TRP 571 CD1 257 0.993E+00 -0.101E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2483 GLU 634 CB 453 TRP 571 CD2 258 0.902E+00 0.608E-02 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2484 GLU 634 CB 453 TRP 571 NE1 259 0.101E+01 -0.169E-01 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2485 GLU 634 CB 453 TRP 571 CE2 260 0.960E+00 0.870E-02 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2486 GLU 634 CB 453 TRP 571 CE3 261 0.869E+00 -0.111E-01 -0.226E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2487 GLU 634 CB 453 TRP 571 CZ2 262 0.985E+00 -0.124E-01 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2488 GLU 634 CB 453 TRP 571 CZ3 263 0.897E+00 -0.112E-01 -0.186E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2489 GLU 634 CB 453 TRP 571 CH2 264 0.955E+00 -0.822E-02 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2490 GLU 634 CB 453 GLY 572 N 267 0.104E+01 -0.204E-01 -0.944E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2491 GLU 634 CG 454 ALA 561 O 155 0.103E+01 0.140E-01 -0.867E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2492 GLU 634 CG 454 HIS 564 N 182 0.102E+01 0.135E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2493 GLU 634 CG 454 HIS 564 CA 183 0.876E+00 -0.995E-03 -0.242E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2494 GLU 634 CG 454 HIS 564 C 184 0.834E+00 -0.231E-01 -0.288E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2495 GLU 634 CG 454 HIS 564 O 185 0.789E+00 0.203E-01 -0.420E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2496 GLU 634 CG 454 HIS 564 CB 186 0.797E+00 0.574E-02 -0.426E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2497 GLU 634 CG 454 HIS 564 CG 187 0.854E+00 -0.930E-02 -0.249E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2498 GLU 634 CG 454 HIS 564 ND1 188 0.851E+00 0.143E-01 -0.315E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2499 GLU 634 CG 454 HIS 564 CD2 189 0.951E+00 0.840E-02 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2500 GLU 634 CG 454 HIS 564 CE1 190 0.937E+00 -0.749E-03 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2501 GLU 634 CG 454 HIS 564 NE2 191 0.993E+00 0.259E-02 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2502 GLU 634 CG 454 HIS 564 HD1 193 0.803E+00 -0.596E-02 -0.125E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2503 GLU 634 CG 454 LEU 565 N 195 0.884E+00 0.112E-01 -0.250E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2504 GLU 634 CG 454 LEU 565 CA 196 0.900E+00 0.311E-02 -0.206E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2505 GLU 634 CG 454 LEU 565 C 197 0.985E+00 -0.153E-01 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2506 GLU 634 CG 454 LEU 565 O 198 0.970E+00 0.153E-01 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2507 GLU 634 CG 454 LEU 565 CB 199 0.992E+00 0.381E-02 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2508 GLU 634 CG 454 LEU 565 CG 200 0.967E+00 -0.528E-02 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2509 GLU 634 CG 454 LEU 565 CD2 202 0.844E+00 0.420E-02 -0.302E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2510 GLU 634 CG 454 GLN 567 CA 214 0.103E+01 -0.929E-03 -0.927E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2511 GLU 634 CG 454 GLN 567 C 215 0.944E+00 -0.119E-01 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2512 GLU 634 CG 454 GLN 567 O 216 0.985E+00 0.151E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2513 GLU 634 CG 454 GLN 567 CB 217 0.977E+00 0.866E-03 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2514 GLU 634 CG 454 LEU 568 N 225 0.853E+00 0.119E-01 -0.308E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2515 GLU 634 CG 454 LEU 568 CA 226 0.781E+00 0.395E-02 -0.482E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2516 GLU 634 CG 454 LEU 568 C 227 0.891E+00 -0.179E-01 -0.194E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2517 GLU 634 CG 454 LEU 568 O 228 0.916E+00 0.167E-01 -0.172E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2518 GLU 634 CG 454 LEU 568 CB 229 0.672E+00 0.748E-02 -0.117E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2519 GLU 634 CG 454 LEU 568 CG 230 0.569E+00 -0.141E-01 -0.309E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2520 GLU 634 CG 454 LEU 568 CD1 231 0.487E+00 0.129E-01 -0.724E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2521 GLU 634 CG 454 LEU 568 CD2 232 0.514E+00 0.114E-01 -0.548E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2522 GLU 634 CG 454 THR 569 N 234 0.983E+00 0.657E-02 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2523 GLU 634 CG 454 TRP 571 CB 255 0.972E+00 0.267E-02 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2524 GLU 634 CG 454 TRP 571 CG 256 0.965E+00 0.276E-02 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2525 GLU 634 CG 454 TRP 571 CD1 257 0.101E+01 0.446E-02 -0.899E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2526 GLU 634 CG 454 TRP 571 CD2 258 0.944E+00 -0.257E-02 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2527 GLU 634 CG 454 TRP 571 NE1 259 0.102E+01 0.756E-02 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2528 GLU 634 CG 454 TRP 571 CE2 260 0.983E+00 -0.381E-02 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2529 GLU 634 CG 454 TRP 571 CE3 261 0.926E+00 0.452E-02 -0.154E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2530 GLU 634 CG 454 TRP 571 CZ2 262 0.100E+01 0.549E-02 -0.956E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2531 GLU 634 CG 454 TRP 571 CZ3 263 0.949E+00 0.464E-02 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2532 GLU 634 CG 454 TRP 571 CH2 264 0.987E+00 0.355E-02 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2533 GLU 634 CD 455 ALA 561 O 155 0.102E+01 -0.318E+00 -0.813E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2534 GLU 634 CD 455 GLN 563 O 173 0.104E+01 -0.314E+00 -0.716E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2535 GLU 634 CD 455 HIS 564 N 182 0.964E+00 -0.328E+00 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2536 GLU 634 CD 455 HIS 564 CA 183 0.820E+00 0.250E-01 -0.318E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2537 GLU 634 CD 455 HIS 564 C 184 0.792E+00 0.568E+00 -0.348E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2538 GLU 634 CD 455 HIS 564 O 185 0.738E+00 -0.516E+00 -0.555E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2539 GLU 634 CD 455 HIS 564 CB 186 0.749E+00 -0.144E+00 -0.547E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2540 GLU 634 CD 455 HIS 564 CG 187 0.792E+00 0.238E+00 -0.347E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2541 GLU 634 CD 455 HIS 564 ND1 188 0.794E+00 -0.361E+00 -0.420E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2542 GLU 634 CD 455 HIS 564 CD2 189 0.872E+00 -0.217E+00 -0.195E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2543 GLU 634 CD 455 HIS 564 CE1 190 0.869E+00 0.190E-01 -0.200E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2544 GLU 634 CD 455 HIS 564 NE2 191 0.912E+00 -0.664E-01 -0.185E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2545 GLU 634 CD 455 HIS 564 HD1 193 0.760E+00 0.148E+00 -0.154E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2546 GLU 634 CD 455 LEU 565 N 195 0.863E+00 -0.263E+00 -0.256E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2547 GLU 634 CD 455 LEU 565 CA 196 0.893E+00 -0.707E-01 -0.191E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2548 GLU 634 CD 455 LEU 565 C 197 0.967E+00 0.354E+00 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2549 GLU 634 CD 455 LEU 565 O 198 0.954E+00 -0.352E+00 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2550 GLU 634 CD 455 LEU 565 CB 199 0.100E+01 -0.844E-01 -0.957E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2551 GLU 634 CD 455 LEU 565 CG 200 0.999E+00 0.113E+00 -0.975E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2552 GLU 634 CD 455 LEU 565 CD2 202 0.890E+00 -0.867E-01 -0.195E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2553 GLU 634 CD 455 GLN 567 N 213 0.997E+00 -0.228E+00 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2554 GLU 634 CD 455 GLN 567 CA 214 0.950E+00 0.235E-01 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2555 GLU 634 CD 455 GLN 567 C 215 0.873E+00 0.305E+00 -0.194E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2556 GLU 634 CD 455 GLN 567 O 216 0.910E+00 -0.384E+00 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2557 GLU 634 CD 455 GLN 567 CB 217 0.883E+00 -0.228E-01 -0.205E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2558 GLU 634 CD 455 GLN 567 CG 218 0.991E+00 -0.119E-01 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2559 GLU 634 CD 455 LEU 568 N 225 0.798E+00 -0.300E+00 -0.407E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2560 GLU 634 CD 455 LEU 568 CA 226 0.738E+00 -0.986E-01 -0.598E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2561 GLU 634 CD 455 LEU 568 C 227 0.860E+00 0.427E+00 -0.212E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2562 GLU 634 CD 455 LEU 568 O 228 0.885E+00 -0.397E+00 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2563 GLU 634 CD 455 LEU 568 CB 229 0.651E+00 -0.180E+00 -0.126E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2564 GLU 634 CD 455 LEU 568 CG 230 0.535E+00 0.365E+00 -0.386E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2565 GLU 634 CD 455 LEU 568 CD1 231 0.489E+00 -0.288E+00 -0.628E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2566 GLU 634 CD 455 LEU 568 CD2 232 0.448E+00 -0.357E+00 -0.971E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2567 GLU 634 CD 455 THR 569 N 234 0.960E+00 -0.153E+00 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2568 GLU 634 CD 455 TRP 571 CA 252 0.105E+01 -0.110E-01 -0.743E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2569 GLU 634 CD 455 TRP 571 CB 255 0.901E+00 -0.677E-01 -0.181E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2570 GLU 634 CD 455 TRP 571 CG 256 0.895E+00 -0.698E-01 -0.168E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2571 GLU 634 CD 455 TRP 571 CD1 257 0.929E+00 -0.115E+00 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2572 GLU 634 CD 455 TRP 571 CD2 258 0.891E+00 0.632E-01 -0.171E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2573 GLU 634 CD 455 TRP 571 NE1 259 0.944E+00 -0.191E+00 -0.150E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2574 GLU 634 CD 455 TRP 571 CE2 260 0.924E+00 0.942E-01 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2575 GLU 634 CD 455 TRP 571 CE3 261 0.896E+00 -0.107E+00 -0.166E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2576 GLU 634 CD 455 TRP 571 CZ2 262 0.958E+00 -0.132E+00 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2577 GLU 634 CD 455 TRP 571 CZ3 263 0.933E+00 -0.107E+00 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2578 GLU 634 CD 455 TRP 571 CH2 264 0.963E+00 -0.828E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2579 GLU 634 CD 455 TRP 571 HE1 266 0.982E+00 0.194E+00 -0.331E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2580 GLU 634 OE1 456 GLU 560 O 145 0.103E+01 0.362E+00 -0.790E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2581 GLU 634 OE1 456 ALA 561 CA 153 0.104E+01 0.167E-01 -0.798E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2582 GLU 634 OE1 456 ALA 561 C 154 0.102E+01 -0.351E+00 -0.799E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2583 GLU 634 OE1 456 ALA 561 O 155 0.913E+00 0.404E+00 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2584 GLU 634 OE1 456 GLN 563 C 172 0.938E+00 -0.292E+00 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2585 GLU 634 OE1 456 GLN 563 O 173 0.921E+00 0.406E+00 -0.150E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2586 GLU 634 OE1 456 HIS 564 N 182 0.845E+00 0.437E+00 -0.302E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2587 GLU 634 OE1 456 HIS 564 CA 183 0.701E+00 -0.359E-01 -0.852E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2588 GLU 634 OE1 456 HIS 564 C 184 0.679E+00 -0.815E+00 -0.907E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2589 GLU 634 OE1 456 HIS 564 O 185 0.628E+00 0.763E+00 -0.147E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2590 GLU 634 OE1 456 HIS 564 CB 186 0.632E+00 0.217E+00 -0.158E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2591 GLU 634 OE1 456 HIS 564 CG 187 0.674E+00 -0.348E+00 -0.951E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2592 GLU 634 OE1 456 HIS 564 ND1 188 0.684E+00 0.514E+00 -0.107E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2593 GLU 634 OE1 456 HIS 564 CD2 189 0.751E+00 0.303E+00 -0.499E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2594 GLU 634 OE1 456 HIS 564 CE1 190 0.759E+00 -0.259E-01 -0.469E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2595 GLU 634 OE1 456 HIS 564 NE2 191 0.795E+00 0.899E-01 -0.432E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2596 GLU 634 OE1 456 HIS 564 HD1 193 0.656E+00 -0.211E+00 -0.311E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2597 GLU 634 OE1 456 LEU 565 N 195 0.758E+00 0.355E+00 -0.579E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2598 GLU 634 OE1 456 LEU 565 CA 196 0.799E+00 0.919E-01 -0.389E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2599 GLU 634 OE1 456 LEU 565 C 197 0.872E+00 -0.449E+00 -0.204E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2600 GLU 634 OE1 456 LEU 565 O 198 0.869E+00 0.440E+00 -0.213E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2601 GLU 634 OE1 456 LEU 565 CB 199 0.914E+00 0.105E+00 -0.174E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2602 GLU 634 OE1 456 LEU 565 CG 200 0.922E+00 -0.138E+00 -0.165E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2603 GLU 634 OE1 456 LEU 565 CD2 202 0.825E+00 0.106E+00 -0.321E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2604 GLU 634 OE1 456 LEU 566 N 204 0.959E+00 0.239E+00 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2605 GLU 634 OE1 456 LEU 566 CA 205 0.105E+01 0.598E-01 -0.767E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2606 GLU 634 OE1 456 LEU 566 C 206 0.988E+00 -0.370E+00 -0.972E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2607 GLU 634 OE1 456 LEU 566 O 207 0.104E+01 0.335E+00 -0.734E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2608 GLU 634 OE1 456 GLN 567 N 213 0.893E+00 0.292E+00 -0.216E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2609 GLU 634 OE1 456 GLN 567 CA 214 0.849E+00 -0.303E-01 -0.270E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2610 GLU 634 OE1 456 GLN 567 C 215 0.785E+00 -0.394E+00 -0.385E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2611 GLU 634 OE1 456 GLN 567 O 216 0.832E+00 0.479E+00 -0.275E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2612 GLU 634 OE1 456 GLN 567 CB 217 0.776E+00 0.307E-01 -0.465E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2613 GLU 634 OE1 456 GLN 567 CG 218 0.878E+00 0.155E-01 -0.222E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2614 GLU 634 OE1 456 GLN 567 CD 219 0.101E+01 -0.416E+00 -0.837E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2615 GLU 634 OE1 456 GLN 567 OE1 220 0.104E+01 0.376E+00 -0.723E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2616 GLU 634 OE1 456 LEU 568 N 225 0.712E+00 0.399E+00 -0.835E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2617 GLU 634 OE1 456 LEU 568 CA 226 0.669E+00 0.128E+00 -0.112E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2618 GLU 634 OE1 456 LEU 568 C 227 0.803E+00 -0.517E+00 -0.336E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2619 GLU 634 OE1 456 LEU 568 O 228 0.841E+00 0.465E+00 -0.259E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2620 GLU 634 OE1 456 LEU 568 CB 229 0.586E+00 0.241E+00 -0.245E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2621 GLU 634 OE1 456 LEU 568 CG 230 0.455E+00 -0.578E+00 -0.101E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2622 GLU 634 OE1 456 LEU 568 CD1 231 0.421E+00 0.451E+00 -0.149E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2623 GLU 634 OE1 456 LEU 568 CD2 232 0.371E+00 0.627E+00 -0.235E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2624 GLU 634 OE1 456 THR 569 N 234 0.897E+00 0.184E+00 -0.211E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2625 GLU 634 OE1 456 THR 569 CA 235 0.103E+01 0.164E+00 -0.841E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2626 GLU 634 OE1 456 TRP 571 N 251 0.102E+01 0.262E+00 -0.961E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2627 GLU 634 OE1 456 TRP 571 CA 252 0.101E+01 0.125E-01 -0.976E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2628 GLU 634 OE1 456 TRP 571 CB 255 0.866E+00 0.777E-01 -0.240E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2629 GLU 634 OE1 456 TRP 571 CG 256 0.880E+00 0.773E-01 -0.194E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2630 GLU 634 OE1 456 TRP 571 CD1 257 0.916E+00 0.126E+00 -0.153E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2631 GLU 634 OE1 456 TRP 571 CD2 258 0.893E+00 -0.678E-01 -0.177E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2632 GLU 634 OE1 456 TRP 571 NE1 259 0.948E+00 0.205E+00 -0.151E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2633 GLU 634 OE1 456 TRP 571 CE2 260 0.937E+00 -0.992E-01 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2634 GLU 634 OE1 456 TRP 571 CE3 261 0.905E+00 0.114E+00 -0.163E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2635 GLU 634 OE1 456 TRP 571 CZ2 262 0.988E+00 0.136E+00 -0.967E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2636 GLU 634 OE1 456 TRP 571 CZ3 263 0.960E+00 0.111E+00 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2637 GLU 634 OE1 456 TRP 571 CH2 264 0.999E+00 0.844E-01 -0.905E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2638 GLU 634 OE1 456 TRP 571 HE1 266 0.991E+00 -0.207E+00 -0.262E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2639 GLU 634 OE2 457 HIS 564 CA 183 0.912E+00 -0.226E-01 -0.177E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2640 GLU 634 OE2 457 HIS 564 C 184 0.889E+00 -0.503E+00 -0.183E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2641 GLU 634 OE2 457 HIS 564 O 185 0.828E+00 0.453E+00 -0.284E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2642 GLU 634 OE2 457 HIS 564 CB 186 0.845E+00 0.126E+00 -0.279E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2643 GLU 634 OE2 457 HIS 564 CG 187 0.877E+00 -0.216E+00 -0.198E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2644 GLU 634 OE2 457 HIS 564 ND1 188 0.877E+00 0.328E+00 -0.241E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2645 GLU 634 OE2 457 HIS 564 CD2 189 0.945E+00 0.206E+00 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2646 GLU 634 OE2 457 HIS 564 CE1 190 0.940E+00 -0.181E-01 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2647 GLU 634 OE2 457 HIS 564 NE2 191 0.978E+00 0.642E-01 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2648 GLU 634 OE2 457 HIS 564 HD1 193 0.849E+00 -0.131E+00 -0.667E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2649 GLU 634 OE2 457 LEU 565 N 195 0.968E+00 0.236E+00 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2650 GLU 634 OE2 457 LEU 565 CA 196 0.100E+01 0.639E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2651 GLU 634 OE2 457 LEU 565 O 198 0.105E+01 0.331E+00 -0.695E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2652 GLU 634 OE2 457 LEU 565 CD2 202 0.101E+01 0.770E-01 -0.967E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2653 GLU 634 OE2 457 GLN 567 CA 214 0.101E+01 -0.232E-01 -0.973E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2654 GLU 634 OE2 457 GLN 567 C 215 0.928E+00 -0.298E+00 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2655 GLU 634 OE2 457 GLN 567 O 216 0.952E+00 0.385E+00 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2656 GLU 634 OE2 457 GLN 567 CB 217 0.935E+00 0.225E-01 -0.152E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2657 GLU 634 OE2 457 GLN 567 CG 218 0.104E+01 0.119E-01 -0.798E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2658 GLU 634 OE2 457 LEU 568 N 225 0.866E+00 0.282E+00 -0.260E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2659 GLU 634 OE2 457 LEU 568 CA 226 0.802E+00 0.913E-01 -0.381E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2660 GLU 634 OE2 457 LEU 568 C 227 0.921E+00 -0.411E+00 -0.147E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2661 GLU 634 OE2 457 LEU 568 O 228 0.933E+00 0.393E+00 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2662 GLU 634 OE2 457 LEU 568 CB 229 0.731E+00 0.154E+00 -0.664E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2663 GLU 634 OE2 457 LEU 568 CG 230 0.624E+00 -0.281E+00 -0.170E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2664 GLU 634 OE2 457 LEU 568 CD1 231 0.596E+00 0.199E+00 -0.222E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2665 GLU 634 OE2 457 LEU 568 CD2 232 0.516E+00 0.274E+00 -0.509E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2666 GLU 634 OE2 457 THR 569 N 234 0.103E+01 0.149E+00 -0.919E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2667 GLU 634 OE2 457 TRP 571 CB 255 0.907E+00 0.721E-01 -0.182E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2668 GLU 634 OE2 457 TRP 571 CG 256 0.883E+00 0.768E-01 -0.190E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2669 GLU 634 OE2 457 TRP 571 CD1 257 0.901E+00 0.129E+00 -0.168E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2670 GLU 634 OE2 457 TRP 571 CD2 258 0.878E+00 -0.698E-01 -0.197E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2671 GLU 634 OE2 457 TRP 571 NE1 259 0.904E+00 0.220E+00 -0.200E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2672 GLU 634 OE2 457 TRP 571 CE2 260 0.892E+00 -0.107E+00 -0.179E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2673 GLU 634 OE2 457 TRP 571 CE3 261 0.894E+00 0.116E+00 -0.177E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2674 GLU 634 OE2 457 TRP 571 CZ2 262 0.919E+00 0.152E+00 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2675 GLU 634 OE2 457 TRP 571 CZ3 263 0.923E+00 0.117E+00 -0.146E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2676 GLU 634 OE2 457 TRP 571 CH2 264 0.935E+00 0.933E-01 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2677 GLU 634 OE2 457 TRP 571 HE1 266 0.932E+00 -0.227E+00 -0.381E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2678 ILE 635 N 459 ALA 561 C 154 0.101E+01 -0.195E+00 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2679 ILE 635 N 459 ALA 561 O 155 0.901E+00 0.226E+00 -0.206E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2680 ILE 635 N 459 GLN 562 O 161 0.103E+01 0.186E+00 -0.894E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2681 ILE 635 N 459 HIS 564 N 182 0.980E+00 0.189E+00 -0.147E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2682 ILE 635 N 459 HIS 564 CA 183 0.864E+00 -0.135E-01 -0.286E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2683 ILE 635 N 459 HIS 564 C 184 0.766E+00 -0.356E+00 -0.523E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2684 ILE 635 N 459 HIS 564 O 185 0.740E+00 0.302E+00 -0.663E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2685 ILE 635 N 459 HIS 564 CB 186 0.810E+00 0.739E-01 -0.421E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2686 ILE 635 N 459 HIS 564 CG 187 0.927E+00 -0.108E+00 -0.167E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2687 ILE 635 N 459 HIS 564 ND1 188 0.950E+00 0.158E+00 -0.177E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2688 ILE 635 N 459 HIS 564 CD2 189 0.105E+01 0.966E-01 -0.802E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2689 ILE 635 N 459 HIS 564 HD1 193 0.894E+00 -0.659E-01 -0.665E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2690 ILE 635 N 459 LEU 565 N 195 0.748E+00 0.199E+00 -0.737E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2691 ILE 635 N 459 LEU 565 CA 196 0.699E+00 0.644E-01 -0.101E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2692 ILE 635 N 459 LEU 565 C 197 0.792E+00 -0.290E+00 -0.426E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2693 ILE 635 N 459 LEU 565 O 198 0.766E+00 0.299E+00 -0.540E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2694 ILE 635 N 459 LEU 565 CB 199 0.736E+00 0.832E-01 -0.745E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2695 ILE 635 N 459 LEU 565 CG 200 0.668E+00 -0.134E+00 -0.133E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2696 ILE 635 N 459 LEU 565 CD1 201 0.751E+00 0.685E-01 -0.663E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2697 ILE 635 N 459 LEU 565 CD2 202 0.518E+00 0.149E+00 -0.579E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2698 ILE 635 N 459 LEU 566 N 204 0.922E+00 0.139E+00 -0.212E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2699 ILE 635 N 459 LEU 566 CA 205 0.103E+01 0.336E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2700 ILE 635 N 459 LEU 566 C 206 0.102E+01 -0.193E+00 -0.937E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2701 ILE 635 N 459 GLN 567 N 213 0.994E+00 0.135E+00 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2702 ILE 635 N 459 GLN 567 CA 214 0.101E+01 -0.126E-01 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2703 ILE 635 N 459 GLN 567 C 215 0.918E+00 -0.166E+00 -0.177E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2704 ILE 635 N 459 GLN 567 O 216 0.973E+00 0.204E+00 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2705 ILE 635 N 459 GLN 567 CB 217 0.102E+01 0.108E-01 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2706 ILE 635 N 459 LEU 568 N 225 0.790E+00 0.180E+00 -0.531E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2707 ILE 635 N 459 LEU 568 CA 226 0.705E+00 0.633E-01 -0.961E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2708 ILE 635 N 459 LEU 568 C 227 0.765E+00 -0.308E+00 -0.524E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2709 ILE 635 N 459 LEU 568 O 228 0.808E+00 0.272E+00 -0.393E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2710 ILE 635 N 459 LEU 568 CB 229 0.558E+00 0.147E+00 -0.377E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2711 ILE 635 N 459 LEU 568 CG 230 0.526E+00 -0.224E+00 -0.530E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2712 ILE 635 N 459 LEU 568 CD1 231 0.390E+00 0.300E+00 -0.209E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2713 ILE 635 N 459 LEU 568 CD2 232 0.587E+00 0.112E+00 -0.284E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2714 ILE 635 N 459 THR 569 N 234 0.809E+00 0.119E+00 -0.462E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2715 ILE 635 N 459 THR 569 CA 235 0.902E+00 0.110E+00 -0.222E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2716 ILE 635 N 459 THR 569 C 236 0.103E+01 -0.187E+00 -0.900E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2717 ILE 635 N 459 THR 569 CB 238 0.957E+00 -0.882E-01 -0.156E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2718 ILE 635 N 459 THR 569 OG1 239 0.102E+01 0.202E+00 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2719 ILE 635 N 459 THR 569 CG2 240 0.864E+00 0.767E-01 -0.287E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2720 ILE 635 N 459 THR 569 HG1 242 0.973E+00 -0.146E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2721 ILE 635 N 459 TRP 571 CB 255 0.101E+01 0.334E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2722 ILE 635 N 459 TRP 571 CG 256 0.104E+01 0.327E-01 -0.833E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2723 ILE 635 N 459 TRP 571 CD2 258 0.100E+01 -0.311E-01 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2724 ILE 635 N 459 TRP 571 CE3 261 0.932E+00 0.594E-01 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2725 ILE 635 N 459 TRP 571 CZ3 263 0.955E+00 0.609E-01 -0.140E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2726 ILE 635 N 459 TRP 571 CH2 264 0.104E+01 0.433E-01 -0.816E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2727 ILE 635 N 459 GLY 572 N 267 0.104E+01 0.122E+00 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2728 ILE 635 CA 460 ALA 561 CA 153 0.103E+01 0.212E-02 -0.943E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2729 ILE 635 CA 460 ALA 561 C 154 0.955E+00 -0.479E-01 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2730 ILE 635 CA 460 ALA 561 O 155 0.850E+00 0.562E-01 -0.268E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2731 ILE 635 CA 460 ALA 561 CB 156 0.103E+01 0.172E-01 -0.910E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2732 ILE 635 CA 460 GLN 562 N 158 0.104E+01 0.288E-01 -0.968E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2733 ILE 635 CA 460 GLN 562 CA 159 0.101E+01 -0.288E-02 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2734 ILE 635 CA 460 GLN 562 C 160 0.101E+01 -0.323E-01 -0.900E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2735 ILE 635 CA 460 GLN 562 O 161 0.961E+00 0.470E-01 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2736 ILE 635 CA 460 GLN 563 C 172 0.103E+01 -0.317E-01 -0.837E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2737 ILE 635 CA 460 GLN 563 O 173 0.102E+01 0.431E-01 -0.906E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2738 ILE 635 CA 460 HIS 564 N 182 0.953E+00 0.445E-01 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2739 ILE 635 CA 460 HIS 564 CA 183 0.852E+00 -0.313E-02 -0.286E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2740 ILE 635 CA 460 HIS 564 C 184 0.741E+00 -0.854E-01 -0.581E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2741 ILE 635 CA 460 HIS 564 O 185 0.726E+00 0.709E-01 -0.689E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2742 ILE 635 CA 460 HIS 564 CB 186 0.810E+00 0.167E-01 -0.385E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2743 ILE 635 CA 460 HIS 564 CG 187 0.940E+00 -0.240E-01 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2744 ILE 635 CA 460 HIS 564 ND1 188 0.972E+00 0.346E-01 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2745 ILE 635 CA 460 HIS 564 HD1 193 0.918E+00 -0.143E-01 -0.558E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2746 ILE 635 CA 460 LEU 565 N 195 0.700E+00 0.510E-01 -0.100E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2747 ILE 635 CA 460 LEU 565 CA 196 0.631E+00 0.179E-01 -0.169E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2748 ILE 635 CA 460 LEU 565 C 197 0.724E+00 -0.772E-01 -0.667E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2749 ILE 635 CA 460 LEU 565 O 198 0.699E+00 0.804E-01 -0.863E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2750 ILE 635 CA 460 LEU 565 CB 199 0.645E+00 0.244E-01 -0.149E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2751 ILE 635 CA 460 LEU 565 CG 200 0.563E+00 -0.434E-01 -0.326E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2752 ILE 635 CA 460 LEU 565 CD1 201 0.628E+00 0.220E-01 -0.174E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2753 ILE 635 CA 460 LEU 565 CD2 202 0.411E+00 0.594E-01 -0.155E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2754 ILE 635 CA 460 LEU 566 N 204 0.855E+00 0.356E-01 -0.306E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2755 ILE 635 CA 460 LEU 566 CA 205 0.962E+00 0.839E-02 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2756 ILE 635 CA 460 LEU 566 C 206 0.972E+00 -0.469E-01 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2757 ILE 635 CA 460 LEU 566 O 207 0.100E+01 0.435E-01 -0.988E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2758 ILE 635 CA 460 GLN 567 N 213 0.962E+00 0.322E-01 -0.151E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2759 ILE 635 CA 460 GLN 567 CA 214 0.997E+00 -0.291E-02 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2760 ILE 635 CA 460 GLN 567 C 215 0.910E+00 -0.379E-01 -0.171E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2761 ILE 635 CA 460 GLN 567 O 216 0.972E+00 0.463E-01 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2762 ILE 635 CA 460 GLN 567 CB 217 0.102E+01 0.243E-02 -0.952E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2763 ILE 635 CA 460 LEU 568 N 225 0.777E+00 0.420E-01 -0.539E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2764 ILE 635 CA 460 LEU 568 CA 226 0.701E+00 0.145E-01 -0.913E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2765 ILE 635 CA 460 LEU 568 C 227 0.744E+00 -0.734E-01 -0.567E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2766 ILE 635 CA 460 LEU 568 O 228 0.798E+00 0.630E-01 -0.393E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2767 ILE 635 CA 460 LEU 568 CB 229 0.554E+00 0.338E-01 -0.361E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2768 ILE 635 CA 460 LEU 568 CG 230 0.544E+00 -0.468E-01 -0.397E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2769 ILE 635 CA 460 LEU 568 CD1 231 0.413E+00 0.585E-01 -0.152E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2770 ILE 635 CA 460 LEU 568 CD2 232 0.637E+00 0.214E-01 -0.161E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2771 ILE 635 CA 460 THR 569 N 234 0.764E+00 0.299E-01 -0.596E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2772 ILE 635 CA 460 THR 569 CA 235 0.846E+00 0.277E-01 -0.298E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2773 ILE 635 CA 460 THR 569 C 236 0.983E+00 -0.450E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2774 ILE 635 CA 460 THR 569 O 237 0.104E+01 0.407E-01 -0.784E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2775 ILE 635 CA 460 THR 569 CB 238 0.880E+00 -0.228E-01 -0.235E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2776 ILE 635 CA 460 THR 569 OG1 239 0.950E+00 0.510E-01 -0.153E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2777 ILE 635 CA 460 THR 569 CG2 240 0.771E+00 0.211E-01 -0.518E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2778 ILE 635 CA 460 THR 569 HG1 242 0.905E+00 -0.370E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2779 ILE 635 CA 460 VAL 570 N 243 0.104E+01 0.331E-01 -0.918E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2780 ILE 635 CA 460 TRP 571 CB 255 0.104E+01 0.724E-02 -0.857E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2781 ILE 635 CA 460 TRP 571 CE3 261 0.973E+00 0.126E-01 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2782 ILE 635 CA 460 TRP 571 CZ3 263 0.100E+01 0.128E-01 -0.951E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2783 ILE 635 CA 460 GLY 572 N 267 0.104E+01 0.278E-01 -0.956E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2784 ILE 635 C 461 ALA 561 CA 153 0.102E+01 -0.120E-01 -0.887E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2785 ILE 635 C 461 ALA 561 C 154 0.956E+00 0.267E+00 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2786 ILE 635 C 461 ALA 561 O 155 0.864E+00 -0.305E+00 -0.217E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2787 ILE 635 C 461 ALA 561 CB 156 0.999E+00 -0.101E+00 -0.975E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2788 ILE 635 C 461 GLN 562 N 158 0.104E+01 -0.161E+00 -0.855E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2789 ILE 635 C 461 GLN 562 CA 159 0.102E+01 0.158E-01 -0.880E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2790 ILE 635 C 461 GLN 562 C 160 0.105E+01 0.172E+00 -0.661E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2791 ILE 635 C 461 GLN 562 O 161 0.101E+01 -0.245E+00 -0.874E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2792 ILE 635 C 461 HIS 564 N 182 0.101E+01 -0.227E+00 -0.994E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2793 ILE 635 C 461 HIS 564 CA 183 0.922E+00 0.153E-01 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2794 ILE 635 C 461 HIS 564 C 184 0.821E+00 0.396E+00 -0.280E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2795 ILE 635 C 461 HIS 564 O 185 0.825E+00 -0.314E+00 -0.284E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2796 ILE 635 C 461 HIS 564 CB 186 0.866E+00 -0.832E-01 -0.229E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2797 ILE 635 C 461 HIS 564 CG 187 0.990E+00 0.124E+00 -0.917E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2798 ILE 635 C 461 HIS 564 ND1 188 0.101E+01 -0.183E+00 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2799 ILE 635 C 461 HIS 564 HD1 193 0.945E+00 0.762E-01 -0.417E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2800 ILE 635 C 461 LEU 565 N 195 0.765E+00 -0.241E+00 -0.524E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2801 ILE 635 C 461 LEU 565 CA 196 0.702E+00 -0.806E-01 -0.802E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2802 ILE 635 C 461 LEU 565 C 197 0.810E+00 0.351E+00 -0.303E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2803 ILE 635 C 461 LEU 565 O 198 0.800E+00 -0.350E+00 -0.342E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2804 ILE 635 C 461 LEU 565 CB 199 0.688E+00 -0.120E+00 -0.905E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2805 ILE 635 C 461 LEU 565 CG 200 0.578E+00 0.229E+00 -0.250E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2806 ILE 635 C 461 LEU 565 CD1 201 0.626E+00 -0.123E+00 -0.157E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2807 ILE 635 C 461 LEU 565 CD2 202 0.436E+00 -0.284E+00 -0.109E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2808 ILE 635 C 461 LEU 566 N 204 0.935E+00 -0.172E+00 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2809 ILE 635 C 461 GLN 567 C 215 0.104E+01 0.173E+00 -0.674E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2810 ILE 635 C 461 LEU 568 N 225 0.908E+00 -0.180E+00 -0.189E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2811 ILE 635 C 461 LEU 568 CA 226 0.842E+00 -0.580E-01 -0.273E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2812 ILE 635 C 461 LEU 568 C 227 0.885E+00 0.303E+00 -0.179E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2813 ILE 635 C 461 LEU 568 O 228 0.943E+00 -0.267E+00 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2814 ILE 635 C 461 LEU 568 CB 229 0.693E+00 -0.118E+00 -0.863E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2815 ILE 635 C 461 LEU 568 CG 230 0.675E+00 0.166E+00 -0.102E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2816 ILE 635 C 461 LEU 568 CD1 231 0.536E+00 -0.173E+00 -0.384E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2817 ILE 635 C 461 LEU 568 CD2 232 0.770E+00 -0.825E-01 -0.463E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2818 ILE 635 C 461 THR 569 N 234 0.895E+00 -0.127E+00 -0.206E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2819 ILE 635 C 461 THR 569 CA 235 0.972E+00 -0.124E+00 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2820 ILE 635 C 461 THR 569 CB 238 0.990E+00 0.106E+00 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2821 ILE 635 C 461 THR 569 CG2 240 0.868E+00 -0.960E-01 -0.226E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2822 ILE 635 C 461 THR 569 HG1 242 0.101E+01 0.174E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2823 ILE 635 O 462 ALA 561 CA 153 0.941E+00 0.146E-01 -0.146E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2824 ILE 635 O 462 ALA 561 C 154 0.878E+00 -0.332E+00 -0.196E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2825 ILE 635 O 462 ALA 561 O 155 0.795E+00 0.383E+00 -0.363E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2826 ILE 635 O 462 ALA 561 CB 156 0.915E+00 0.125E+00 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2827 ILE 635 O 462 GLN 562 N 158 0.952E+00 0.199E+00 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2828 ILE 635 O 462 GLN 562 CA 159 0.931E+00 -0.196E-01 -0.156E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2829 ILE 635 O 462 GLN 562 C 160 0.973E+00 -0.208E+00 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2830 ILE 635 O 462 GLN 562 O 161 0.938E+00 0.297E+00 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2831 ILE 635 O 462 GLN 562 CB 162 0.103E+01 0.145E-01 -0.836E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2832 ILE 635 O 462 GLN 562 CG 163 0.100E+01 0.949E-02 -0.999E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2833 ILE 635 O 462 GLN 563 C 172 0.105E+01 -0.187E+00 -0.686E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2834 ILE 635 O 462 HIS 564 N 182 0.970E+00 0.263E+00 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2835 ILE 635 O 462 HIS 564 CA 183 0.896E+00 -0.175E-01 -0.196E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2836 ILE 635 O 462 HIS 564 C 184 0.798E+00 -0.454E+00 -0.348E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2837 ILE 635 O 462 HIS 564 O 185 0.818E+00 0.348E+00 -0.306E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2838 ILE 635 O 462 HIS 564 CB 186 0.843E+00 0.949E-01 -0.283E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2839 ILE 635 O 462 HIS 564 CG 187 0.968E+00 -0.139E+00 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2840 ILE 635 O 462 HIS 564 ND1 188 0.987E+00 0.205E+00 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2841 ILE 635 O 462 HIS 564 HD1 193 0.925E+00 -0.859E-01 -0.399E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2842 ILE 635 O 462 LEU 565 N 195 0.725E+00 0.290E+00 -0.751E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2843 ILE 635 O 462 LEU 565 CA 196 0.660E+00 0.990E-01 -0.121E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2844 ILE 635 O 462 LEU 565 C 197 0.776E+00 -0.413E+00 -0.412E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2845 ILE 635 O 462 LEU 565 O 198 0.779E+00 0.400E+00 -0.409E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2846 ILE 635 O 462 LEU 565 CB 199 0.622E+00 0.159E+00 -0.172E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2847 ILE 635 O 462 LEU 565 CG 200 0.497E+00 -0.352E+00 -0.632E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2848 ILE 635 O 462 LEU 565 CD1 201 0.532E+00 0.192E+00 -0.429E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2849 ILE 635 O 462 LEU 565 CD2 202 0.370E+00 0.477E+00 -0.237E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2850 ILE 635 O 462 LEU 566 N 204 0.894E+00 0.201E+00 -0.215E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2851 ILE 635 O 462 LEU 566 CA 205 0.102E+01 0.470E-01 -0.923E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2852 ILE 635 O 462 LEU 568 N 225 0.923E+00 0.191E+00 -0.178E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2853 ILE 635 O 462 LEU 568 CA 226 0.872E+00 0.595E-01 -0.230E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2854 ILE 635 O 462 LEU 568 C 227 0.914E+00 -0.313E+00 -0.154E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2855 ILE 635 O 462 LEU 568 O 228 0.984E+00 0.272E+00 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2856 ILE 635 O 462 LEU 568 CB 229 0.727E+00 0.117E+00 -0.684E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2857 ILE 635 O 462 LEU 568 CG 230 0.709E+00 -0.164E+00 -0.798E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2858 ILE 635 O 462 LEU 568 CD1 231 0.574E+00 0.162E+00 -0.278E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2859 ILE 635 O 462 LEU 568 CD2 232 0.820E+00 0.806E-01 -0.335E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2860 ILE 635 O 462 THR 569 N 234 0.908E+00 0.135E+00 -0.196E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2861 ILE 635 O 462 THR 569 CA 235 0.983E+00 0.133E+00 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2862 ILE 635 O 462 THR 569 CB 238 0.982E+00 -0.117E+00 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2863 ILE 635 O 462 THR 569 OG1 239 0.104E+01 0.271E+00 -0.803E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2864 ILE 635 O 462 THR 569 CG2 240 0.852E+00 0.108E+00 -0.266E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2865 ILE 635 O 462 THR 569 HG1 242 0.996E+00 -0.194E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2866 ILE 635 CB 463 ALA 561 O 155 0.955E+00 -0.283E-01 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2867 ILE 635 CB 463 GLN 562 O 161 0.102E+01 -0.262E-01 -0.915E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2868 ILE 635 CB 463 HIS 564 N 182 0.104E+01 -0.237E-01 -0.932E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2869 ILE 635 CB 463 HIS 564 CA 183 0.944E+00 0.161E-02 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2870 ILE 635 CB 463 HIS 564 C 184 0.819E+00 0.435E-01 -0.322E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2871 ILE 635 CB 463 HIS 564 O 185 0.790E+00 -0.370E-01 -0.417E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2872 ILE 635 CB 463 HIS 564 CB 186 0.921E+00 -0.821E-02 -0.179E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2873 ILE 635 CB 463 LEU 565 N 195 0.776E+00 -0.256E-01 -0.546E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2874 ILE 635 CB 463 LEU 565 CA 196 0.684E+00 -0.924E-02 -0.106E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2875 ILE 635 CB 463 LEU 565 C 197 0.750E+00 0.440E-01 -0.542E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2876 ILE 635 CB 463 LEU 565 O 198 0.702E+00 -0.485E-01 -0.843E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2877 ILE 635 CB 463 LEU 565 CB 199 0.694E+00 -0.128E-01 -0.966E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2878 ILE 635 CB 463 LEU 565 CG 200 0.623E+00 0.212E-01 -0.182E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2879 ILE 635 CB 463 LEU 565 CD1 201 0.662E+00 -0.120E-01 -0.128E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2880 ILE 635 CB 463 LEU 565 CD2 202 0.475E+00 -0.251E-01 -0.826E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2881 ILE 635 CB 463 LEU 566 N 204 0.883E+00 -0.205E-01 -0.251E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2882 ILE 635 CB 463 LEU 566 CA 205 0.975E+00 -0.500E-02 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2883 ILE 635 CB 463 LEU 566 C 206 0.980E+00 0.282E-01 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2884 ILE 635 CB 463 LEU 566 O 207 0.994E+00 -0.268E-01 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2885 ILE 635 CB 463 GLN 567 N 213 0.986E+00 -0.188E-01 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2886 ILE 635 CB 463 GLN 567 CA 214 0.102E+01 0.172E-02 -0.989E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2887 ILE 635 CB 463 GLN 567 C 215 0.917E+00 0.228E-01 -0.163E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2888 ILE 635 CB 463 GLN 567 O 216 0.964E+00 -0.285E-01 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2889 ILE 635 CB 463 LEU 568 N 225 0.786E+00 -0.250E-01 -0.504E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2890 ILE 635 CB 463 LEU 568 CA 226 0.694E+00 -0.898E-02 -0.971E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2891 ILE 635 CB 463 LEU 568 C 227 0.706E+00 0.493E-01 -0.776E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2892 ILE 635 CB 463 LEU 568 O 228 0.744E+00 -0.434E-01 -0.594E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2893 ILE 635 CB 463 LEU 568 CB 229 0.560E+00 -0.201E-01 -0.339E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2894 ILE 635 CB 463 LEU 568 CG 230 0.591E+00 0.237E-01 -0.248E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2895 ILE 635 CB 463 LEU 568 CD1 231 0.487E+00 -0.237E-01 -0.730E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2896 ILE 635 CB 463 LEU 568 CD2 232 0.683E+00 -0.113E-01 -0.107E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2897 ILE 635 CB 463 THR 569 N 234 0.721E+00 -0.203E-01 -0.846E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2898 ILE 635 CB 463 THR 569 CA 235 0.779E+00 -0.194E-01 -0.486E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2899 ILE 635 CB 463 THR 569 C 236 0.917E+00 0.305E-01 -0.163E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2900 ILE 635 CB 463 THR 569 O 237 0.964E+00 -0.278E-01 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2901 ILE 635 CB 463 THR 569 CB 238 0.815E+00 0.157E-01 -0.372E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2902 ILE 635 CB 463 THR 569 OG1 239 0.905E+00 -0.335E-01 -0.205E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2903 ILE 635 CB 463 THR 569 CG2 240 0.705E+00 -0.152E-01 -0.879E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2904 ILE 635 CB 463 THR 569 HG1 242 0.873E+00 0.238E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2905 ILE 635 CB 463 VAL 570 N 243 0.996E+00 -0.216E-01 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2906 ILE 635 CB 463 TRP 571 CB 255 0.101E+01 -0.463E-02 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2907 ILE 635 CB 463 TRP 571 CG 256 0.105E+01 -0.447E-02 -0.741E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2908 ILE 635 CB 463 TRP 571 CD2 258 0.999E+00 0.430E-02 -0.976E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2909 ILE 635 CB 463 TRP 571 CE3 261 0.905E+00 -0.855E-02 -0.176E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2910 ILE 635 CB 463 TRP 571 CZ3 263 0.927E+00 -0.877E-02 -0.153E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2911 ILE 635 CB 463 TRP 571 CH2 264 0.104E+01 -0.600E-02 -0.776E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2912 ILE 635 CB 463 GLY 572 N 267 0.959E+00 -0.190E-01 -0.154E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2913 ILE 635 CB 463 GLY 572 CA 268 0.958E+00 -0.656E-02 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2914 ILE 635 CG1 464 ALA 561 O 155 0.968E+00 -0.986E-02 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2915 ILE 635 CG1 464 GLN 562 O 161 0.994E+00 -0.964E-02 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2916 ILE 635 CG1 464 GLN 563 O 173 0.102E+01 -0.924E-02 -0.886E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2917 ILE 635 CG1 464 HIS 564 N 182 0.101E+01 -0.879E-02 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2918 ILE 635 CG1 464 HIS 564 CA 183 0.905E+00 0.611E-03 -0.199E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2919 ILE 635 CG1 464 HIS 564 C 184 0.773E+00 0.171E-01 -0.453E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2920 ILE 635 CG1 464 HIS 564 O 185 0.724E+00 -0.154E-01 -0.700E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2921 ILE 635 CG1 464 HIS 564 CB 186 0.901E+00 -0.302E-02 -0.205E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2922 ILE 635 CG1 464 HIS 564 CG 187 0.104E+01 0.445E-02 -0.772E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2923 ILE 635 CG1 464 LEU 565 N 195 0.746E+00 -0.976E-02 -0.689E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2924 ILE 635 CG1 464 LEU 565 CA 196 0.650E+00 -0.363E-02 -0.143E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2925 ILE 635 CG1 464 LEU 565 C 197 0.691E+00 0.182E-01 -0.882E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2926 ILE 635 CG1 464 LEU 565 O 198 0.624E+00 -0.218E-01 -0.169E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2927 ILE 635 CG1 464 LEU 565 CB 199 0.686E+00 -0.465E-02 -0.104E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2928 ILE 635 CG1 464 LEU 565 CG 200 0.647E+00 0.696E-02 -0.146E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2929 ILE 635 CG1 464 LEU 565 CD1 201 0.695E+00 -0.387E-02 -0.959E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2930 ILE 635 CG1 464 LEU 565 CD2 202 0.505E+00 -0.769E-02 -0.599E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2931 ILE 635 CG1 464 LEU 566 N 204 0.825E+00 -0.816E-02 -0.379E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2932 ILE 635 CG1 464 LEU 566 CA 205 0.901E+00 -0.201E-02 -0.205E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2933 ILE 635 CG1 464 LEU 566 C 206 0.887E+00 0.117E-01 -0.199E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2934 ILE 635 CG1 464 LEU 566 O 207 0.889E+00 -0.113E-01 -0.205E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2935 ILE 635 CG1 464 GLN 567 N 213 0.893E+00 -0.779E-02 -0.235E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2936 ILE 635 CG1 464 GLN 567 CA 214 0.911E+00 0.721E-03 -0.191E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2937 ILE 635 CG1 464 GLN 567 C 215 0.799E+00 0.102E-01 -0.371E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2938 ILE 635 CG1 464 GLN 567 O 216 0.835E+00 -0.127E-01 -0.299E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2939 ILE 635 CG1 464 GLN 567 CB 217 0.965E+00 -0.571E-03 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2940 ILE 635 CG1 464 LEU 568 N 225 0.674E+00 -0.119E-01 -0.126E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2941 ILE 635 CG1 464 LEU 568 CA 226 0.568E+00 -0.483E-02 -0.311E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2942 ILE 635 CG1 464 LEU 568 C 227 0.570E+00 0.272E-01 -0.270E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2943 ILE 635 CG1 464 LEU 568 O 228 0.599E+00 -0.237E-01 -0.214E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2944 ILE 635 CG1 464 LEU 568 CB 229 0.446E+00 -0.122E-01 -0.112E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2945 ILE 635 CG1 464 LEU 568 CG 230 0.502E+00 0.122E-01 -0.617E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2946 ILE 635 CG1 464 LEU 568 CD1 231 0.428E+00 -0.115E-01 -0.133E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2947 ILE 635 CG1 464 LEU 568 CD2 232 0.587E+00 -0.548E-02 -0.259E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2948 ILE 635 CG1 464 THR 569 N 234 0.596E+00 -0.106E-01 -0.259E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2949 ILE 635 CG1 464 THR 569 CA 235 0.655E+00 -0.959E-02 -0.136E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2950 ILE 635 CG1 464 THR 569 C 236 0.785E+00 0.140E-01 -0.412E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2951 ILE 635 CG1 464 THR 569 O 237 0.829E+00 -0.126E-01 -0.313E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2952 ILE 635 CG1 464 THR 569 CB 238 0.710E+00 0.719E-02 -0.847E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2953 ILE 635 CG1 464 THR 569 OG1 239 0.804E+00 -0.145E-01 -0.415E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2954 ILE 635 CG1 464 THR 569 CG2 240 0.619E+00 -0.700E-02 -0.190E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2955 ILE 635 CG1 464 THR 569 HG1 242 0.774E+00 0.104E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2956 ILE 635 CG1 464 VAL 570 N 243 0.865E+00 -0.955E-02 -0.285E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2957 ILE 635 CG1 464 VAL 570 CA 244 0.996E+00 -0.885E-03 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2958 ILE 635 CG1 464 VAL 570 C 245 0.994E+00 0.763E-02 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2959 ILE 635 CG1 464 TRP 571 N 251 0.917E+00 -0.827E-02 -0.201E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2960 ILE 635 CG1 464 TRP 571 CA 252 0.933E+00 -0.376E-03 -0.166E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2961 ILE 635 CG1 464 TRP 571 C 253 0.908E+00 0.115E-01 -0.174E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2962 ILE 635 CG1 464 TRP 571 O 254 0.100E+01 -0.838E-02 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2963 ILE 635 CG1 464 TRP 571 CB 255 0.860E+00 -0.210E-02 -0.270E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2964 ILE 635 CG1 464 TRP 571 CG 256 0.902E+00 -0.198E-02 -0.181E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2965 ILE 635 CG1 464 TRP 571 CD1 257 0.102E+01 -0.285E-02 -0.857E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2966 ILE 635 CG1 464 TRP 571 CD2 258 0.856E+00 0.194E-02 -0.246E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2967 ILE 635 CG1 464 TRP 571 CE2 260 0.964E+00 0.254E-02 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2968 ILE 635 CG1 464 TRP 571 CE3 261 0.763E+00 -0.407E-02 -0.491E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2969 ILE 635 CG1 464 TRP 571 CZ2 262 0.988E+00 -0.363E-02 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2970 ILE 635 CG1 464 TRP 571 CZ3 263 0.793E+00 -0.404E-02 -0.389E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2971 ILE 635 CG1 464 TRP 571 CH2 264 0.909E+00 -0.260E-02 -0.172E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2972 ILE 635 CG1 464 GLY 572 N 267 0.810E+00 -0.887E-02 -0.421E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2973 ILE 635 CG1 464 GLY 572 CA 268 0.813E+00 -0.304E-02 -0.378E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2974 ILE 635 CG1 464 GLY 572 C 269 0.947E+00 0.107E-01 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2975 ILE 635 CG1 464 GLY 572 O 270 0.103E+01 -0.825E-02 -0.854E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2976 ILE 635 CG1 464 ILE 573 N 272 0.991E+00 -0.773E-02 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2977 ILE 635 CG2 465 ALA 561 C 154 0.104E+01 -0.538E-01 -0.767E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2978 ILE 635 CG2 465 ALA 561 O 155 0.942E+00 0.607E-01 -0.146E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2979 ILE 635 CG2 465 GLN 562 CA 159 0.104E+01 -0.351E-02 -0.883E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2980 ILE 635 CG2 465 GLN 562 C 160 0.105E+01 -0.392E-01 -0.739E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2981 ILE 635 CG2 465 GLN 562 O 161 0.977E+00 0.585E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2982 ILE 635 CG2 465 HIS 564 CA 183 0.970E+00 -0.324E-02 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2983 ILE 635 CG2 465 HIS 564 C 184 0.839E+00 -0.874E-01 -0.278E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2984 ILE 635 CG2 465 HIS 564 O 185 0.822E+00 0.723E-01 -0.329E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2985 ILE 635 CG2 465 HIS 564 CB 186 0.958E+00 0.162E-01 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2986 ILE 635 CG2 465 LEU 565 N 195 0.775E+00 0.538E-01 -0.550E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2987 ILE 635 CG2 465 LEU 565 CA 196 0.666E+00 0.204E-01 -0.123E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2988 ILE 635 CG2 465 LEU 565 C 197 0.727E+00 -0.977E-01 -0.653E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2989 ILE 635 CG2 465 LEU 565 O 198 0.682E+00 0.108E+00 -0.100E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2990 ILE 635 CG2 465 LEU 565 CB 199 0.647E+00 0.308E-01 -0.146E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2991 ILE 635 CG2 465 LEU 565 CG 200 0.566E+00 -0.548E-01 -0.319E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2992 ILE 635 CG2 465 LEU 565 CD1 201 0.571E+00 0.344E-01 -0.303E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2993 ILE 635 CG2 465 LEU 565 CD2 202 0.432E+00 0.665E-01 -0.128E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2994 ILE 635 CG2 465 LEU 566 N 204 0.856E+00 0.453E-01 -0.304E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2995 ILE 635 CG2 465 LEU 566 CA 205 0.945E+00 0.110E-01 -0.154E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2996 ILE 635 CG2 465 LEU 566 C 206 0.969E+00 -0.600E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2997 ILE 635 CG2 465 LEU 566 O 207 0.982E+00 0.573E-01 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2998 ILE 635 CG2 465 GLN 567 N 213 0.993E+00 0.391E-01 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
2999 ILE 635 CG2 465 GLN 567 CA 214 0.104E+01 -0.348E-02 -0.851E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3000 ILE 635 CG2 465 GLN 567 C 215 0.952E+00 -0.451E-01 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3001 ILE 635 CG2 465 GLN 567 O 216 0.100E+01 0.561E-01 -0.990E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3002 ILE 635 CG2 465 LEU 568 N 225 0.822E+00 0.486E-01 -0.388E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3003 ILE 635 CG2 465 LEU 568 CA 226 0.743E+00 0.165E-01 -0.648E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3004 ILE 635 CG2 465 LEU 568 C 227 0.737E+00 -0.952E-01 -0.601E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3005 ILE 635 CG2 465 LEU 568 O 228 0.785E+00 0.827E-01 -0.434E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3006 ILE 635 CG2 465 LEU 568 CB 229 0.617E+00 0.340E-01 -0.192E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3007 ILE 635 CG2 465 LEU 568 CG 230 0.665E+00 -0.389E-01 -0.125E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3008 ILE 635 CG2 465 LEU 568 CD1 231 0.570E+00 0.345E-01 -0.306E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3009 ILE 635 CG2 465 LEU 568 CD2 232 0.777E+00 0.186E-01 -0.497E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3010 ILE 635 CG2 465 THR 569 N 234 0.724E+00 0.421E-01 -0.822E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3011 ILE 635 CG2 465 THR 569 CA 235 0.765E+00 0.420E-01 -0.542E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3012 ILE 635 CG2 465 THR 569 C 236 0.912E+00 -0.645E-01 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3013 ILE 635 CG2 465 THR 569 O 237 0.959E+00 0.587E-01 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3014 ILE 635 CG2 465 THR 569 CB 238 0.772E+00 -0.363E-01 -0.513E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3015 ILE 635 CG2 465 THR 569 OG1 239 0.864E+00 0.756E-01 -0.270E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3016 ILE 635 CG2 465 THR 569 CG2 240 0.645E+00 0.380E-01 -0.149E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3017 ILE 635 CG2 465 THR 569 HG1 242 0.841E+00 -0.532E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3018 ILE 635 CG2 465 VAL 570 N 243 0.997E+00 0.452E-01 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3019 ILE 635 CG2 465 TRP 571 CE3 261 0.991E+00 0.156E-01 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3020 ILE 635 CG2 465 TRP 571 CZ3 263 0.102E+01 0.159E-01 -0.868E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3021 ILE 635 CG2 465 GLY 572 N 267 0.997E+00 0.375E-01 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3022 ILE 635 CG2 465 GLY 572 CA 268 0.990E+00 0.131E-01 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3023 ILE 635 CD1 466 ALA 561 C 154 0.973E+00 -0.461E-01 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3024 ILE 635 CD1 466 ALA 561 O 155 0.857E+00 0.549E-01 -0.256E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3025 ILE 635 CD1 466 GLN 562 N 158 0.103E+01 0.287E-01 -0.982E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3026 ILE 635 CD1 466 GLN 562 CA 159 0.970E+00 -0.301E-02 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3027 ILE 635 CD1 466 GLN 562 C 160 0.938E+00 -0.358E-01 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3028 ILE 635 CD1 466 GLN 562 O 161 0.856E+00 0.560E-01 -0.258E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3029 ILE 635 CD1 466 GLN 563 N 170 0.103E+01 0.290E-01 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3030 ILE 635 CD1 466 GLN 563 CA 171 0.103E+01 -0.274E-02 -0.898E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3031 ILE 635 CD1 466 GLN 563 C 172 0.919E+00 -0.370E-01 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3032 ILE 635 CD1 466 GLN 563 O 173 0.880E+00 0.535E-01 -0.218E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3033 ILE 635 CD1 466 HIS 564 N 182 0.881E+00 0.499E-01 -0.255E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3034 ILE 635 CD1 466 HIS 564 CA 183 0.781E+00 -0.360E-02 -0.482E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3035 ILE 635 CD1 466 HIS 564 C 184 0.642E+00 -0.112E+00 -0.136E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3036 ILE 635 CD1 466 HIS 564 O 185 0.591E+00 0.106E+00 -0.233E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3037 ILE 635 CD1 466 HIS 564 CB 186 0.792E+00 0.172E-01 -0.442E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3038 ILE 635 CD1 466 HIS 564 CG 187 0.936E+00 -0.239E-01 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3039 ILE 635 CD1 466 HIS 564 ND1 188 0.101E+01 0.326E-01 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3040 ILE 635 CD1 466 HIS 564 CD2 189 0.103E+01 0.221E-01 -0.802E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3041 ILE 635 CD1 466 HIS 564 HD1 193 0.978E+00 -0.128E-01 -0.382E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3042 ILE 635 CD1 466 LEU 565 N 195 0.614E+00 0.660E-01 -0.218E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3043 ILE 635 CD1 466 LEU 565 CA 196 0.511E+00 0.282E-01 -0.561E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3044 ILE 635 CD1 466 LEU 565 C 197 0.543E+00 -0.139E+00 -0.358E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3045 ILE 635 CD1 466 LEU 565 O 198 0.474E+00 0.187E+00 -0.817E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3046 ILE 635 CD1 466 LEU 565 CB 199 0.559E+00 0.328E-01 -0.342E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3047 ILE 635 CD1 466 LEU 565 CG 200 0.544E+00 -0.465E-01 -0.398E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3048 ILE 635 CD1 466 LEU 565 CD1 201 0.602E+00 0.238E-01 -0.223E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3049 ILE 635 CD1 466 LEU 565 CD2 202 0.415E+00 0.573E-01 -0.150E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3050 ILE 635 CD1 466 LEU 566 N 204 0.676E+00 0.542E-01 -0.124E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3051 ILE 635 CD1 466 LEU 566 CA 205 0.750E+00 0.126E-01 -0.609E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3052 ILE 635 CD1 466 LEU 566 C 206 0.739E+00 -0.737E-01 -0.593E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3053 ILE 635 CD1 466 LEU 566 O 207 0.746E+00 0.705E-01 -0.589E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3054 ILE 635 CD1 466 LEU 566 CB 208 0.903E+00 0.131E-01 -0.202E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3055 ILE 635 CD1 466 LEU 566 CG 209 0.979E+00 -0.154E-01 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3056 ILE 635 CD1 466 LEU 566 CD2 211 0.101E+01 0.939E-02 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3057 ILE 635 CD1 466 GLN 567 N 213 0.747E+00 0.487E-01 -0.683E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3058 ILE 635 CD1 466 GLN 567 CA 214 0.774E+00 -0.437E-02 -0.508E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3059 ILE 635 CD1 466 GLN 567 C 215 0.670E+00 -0.651E-01 -0.106E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3060 ILE 635 CD1 466 GLN 567 O 216 0.716E+00 0.771E-01 -0.751E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3061 ILE 635 CD1 466 GLN 567 CB 217 0.834E+00 0.332E-02 -0.325E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3062 ILE 635 CD1 466 GLN 567 CG 218 0.967E+00 0.163E-02 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3063 ILE 635 CD1 466 LEU 568 N 225 0.541E+00 0.871E-01 -0.453E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3064 ILE 635 CD1 466 LEU 568 CA 226 0.450E+00 0.384E-01 -0.108E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3065 ILE 635 CD1 466 LEU 568 C 227 0.457E+00 -0.210E+00 -0.888E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3066 ILE 635 CD1 466 LEU 568 O 228 0.510E+00 0.157E+00 -0.545E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3067 ILE 635 CD1 466 LEU 568 CB 229 0.326E+00 0.128E+00 0.256E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3068 ILE 635 CD1 466 LEU 568 CG 230 0.397E+00 -0.100E+00 -0.169E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3069 ILE 635 CD1 466 LEU 568 CD1 231 0.345E+00 0.940E-01 -0.521E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3070 ILE 635 CD1 466 LEU 568 CD2 232 0.506E+00 0.352E-01 -0.593E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3071 ILE 635 CD1 466 THR 569 N 234 0.470E+00 0.838E-01 -0.975E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3072 ILE 635 CD1 466 THR 569 CA 235 0.543E+00 0.659E-01 -0.402E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3073 ILE 635 CD1 466 THR 569 C 236 0.679E+00 -0.847E-01 -0.979E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3074 ILE 635 CD1 466 THR 569 O 237 0.739E+00 0.710E-01 -0.622E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3075 ILE 635 CD1 466 THR 569 CB 238 0.591E+00 -0.479E-01 -0.247E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3076 ILE 635 CD1 466 THR 569 OG1 239 0.672E+00 0.929E-01 -0.121E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3077 ILE 635 CD1 466 THR 569 CG2 240 0.502E+00 0.512E-01 -0.617E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3078 ILE 635 CD1 466 THR 569 HG1 242 0.634E+00 -0.702E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3079 ILE 635 CD1 466 VAL 570 N 243 0.748E+00 0.566E-01 -0.680E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3080 ILE 635 CD1 466 VAL 570 CA 244 0.884E+00 0.489E-02 -0.229E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3081 ILE 635 CD1 466 VAL 570 C 245 0.897E+00 -0.410E-01 -0.186E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3082 ILE 635 CD1 466 VAL 570 O 246 0.992E+00 0.318E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3083 ILE 635 CD1 466 VAL 570 CB 247 0.965E+00 -0.323E-01 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3084 ILE 635 CD1 466 VAL 570 CG2 249 0.992E+00 0.708E-02 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3085 ILE 635 CD1 466 TRP 571 N 251 0.823E+00 0.453E-01 -0.383E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3086 ILE 635 CD1 466 TRP 571 CA 252 0.857E+00 0.198E-02 -0.275E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3087 ILE 635 CD1 466 TRP 571 C 253 0.849E+00 -0.587E-01 -0.259E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3088 ILE 635 CD1 466 TRP 571 O 254 0.953E+00 0.414E-01 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3089 ILE 635 CD1 466 TRP 571 CB 255 0.792E+00 0.111E-01 -0.442E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3090 ILE 635 CD1 466 TRP 571 CG 256 0.857E+00 0.990E-02 -0.245E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3091 ILE 635 CD1 466 TRP 571 CD1 257 0.977E+00 0.140E-01 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3092 ILE 635 CD1 466 TRP 571 CD2 258 0.833E+00 -0.934E-02 -0.290E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3093 ILE 635 CD1 466 TRP 571 NE1 259 0.103E+01 0.223E-01 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3094 ILE 635 CD1 466 TRP 571 CE2 260 0.951E+00 -0.119E-01 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3095 ILE 635 CD1 466 TRP 571 CE3 261 0.755E+00 0.190E-01 -0.521E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3096 ILE 635 CD1 466 TRP 571 CZ2 262 0.996E+00 0.165E-01 -0.994E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3097 ILE 635 CD1 466 TRP 571 CZ3 263 0.811E+00 0.178E-01 -0.341E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3098 ILE 635 CD1 466 TRP 571 CH2 264 0.932E+00 0.115E-01 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3099 ILE 635 CD1 466 GLY 572 N 267 0.753E+00 0.464E-01 -0.650E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3100 ILE 635 CD1 466 GLY 572 CA 268 0.777E+00 0.151E-01 -0.496E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3101 ILE 635 CD1 466 GLY 572 C 269 0.908E+00 -0.523E-01 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3102 ILE 635 CD1 466 GLY 572 O 270 0.100E+01 0.394E-01 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3103 ILE 635 CD1 466 ILE 573 N 272 0.933E+00 0.389E-01 -0.181E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3104 ILE 635 CD1 466 ILE 573 CG1 277 0.102E+01 -0.166E-02 -0.978E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3105 ASN 636 N 468 ALA 561 O 155 0.967E+00 0.193E+00 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3106 ASN 636 N 468 HIS 564 CA 183 0.103E+01 -0.985E-02 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3107 ASN 636 N 468 HIS 564 C 184 0.935E+00 -0.242E+00 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3108 ASN 636 N 468 HIS 564 O 185 0.938E+00 0.193E+00 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3109 ASN 636 N 468 HIS 564 CB 186 0.960E+00 0.534E-01 -0.152E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3110 ASN 636 N 468 HIS 564 HD1 193 0.101E+01 -0.521E-01 -0.319E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3111 ASN 636 N 468 LEU 565 N 195 0.885E+00 0.142E+00 -0.270E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3112 ASN 636 N 468 LEU 565 CA 196 0.829E+00 0.449E-01 -0.366E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3113 ASN 636 N 468 LEU 565 C 197 0.940E+00 -0.208E+00 -0.153E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3114 ASN 636 N 468 LEU 565 O 198 0.929E+00 0.206E+00 -0.171E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3115 ASN 636 N 468 LEU 565 CB 199 0.817E+00 0.658E-01 -0.401E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3116 ASN 636 N 468 LEU 565 CG 200 0.703E+00 -0.115E+00 -0.981E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3117 ASN 636 N 468 LEU 565 CD1 201 0.748E+00 0.657E-01 -0.676E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3118 ASN 636 N 468 LEU 565 CD2 202 0.565E+00 0.116E+00 -0.352E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3119 ASN 636 N 468 LEU 568 N 225 0.102E+01 0.114E+00 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3120 ASN 636 N 468 LEU 568 CA 226 0.947E+00 0.363E-01 -0.166E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3121 ASN 636 N 468 LEU 568 C 227 0.992E+00 -0.192E+00 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3122 ASN 636 N 468 LEU 568 O 228 0.104E+01 0.174E+00 -0.862E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3123 ASN 636 N 468 LEU 568 CB 229 0.798E+00 0.685E-01 -0.461E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3124 ASN 636 N 468 LEU 568 CG 230 0.772E+00 -0.969E-01 -0.561E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3125 ASN 636 N 468 LEU 568 CD1 231 0.629E+00 0.923E-01 -0.188E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3126 ASN 636 N 468 LEU 568 CD2 232 0.852E+00 0.523E-01 -0.312E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3127 ASN 636 N 468 THR 569 N 234 0.101E+01 0.798E-01 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3128 ASN 636 N 468 THR 569 CG2 240 0.991E+00 0.590E-01 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3129 ASN 636 CA 469 ALA 561 O 155 0.101E+01 -0.189E-01 -0.949E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3130 ASN 636 CA 469 HIS 564 C 184 0.103E+01 0.220E-01 -0.817E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3131 ASN 636 CA 469 HIS 564 O 185 0.105E+01 -0.172E-01 -0.780E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3132 ASN 636 CA 469 HIS 564 CB 186 0.104E+01 -0.497E-02 -0.866E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3133 ASN 636 CA 469 LEU 565 N 195 0.969E+00 -0.129E-01 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3134 ASN 636 CA 469 LEU 565 CA 196 0.916E+00 -0.399E-02 -0.185E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3135 ASN 636 CA 469 LEU 565 C 197 0.103E+01 0.189E-01 -0.794E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3136 ASN 636 CA 469 LEU 565 O 198 0.103E+01 -0.184E-01 -0.837E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3137 ASN 636 CA 469 LEU 565 CB 199 0.884E+00 -0.603E-02 -0.229E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3138 ASN 636 CA 469 LEU 565 CG 200 0.755E+00 0.106E-01 -0.588E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3139 ASN 636 CA 469 LEU 565 CD1 201 0.784E+00 -0.632E-02 -0.469E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3140 ASN 636 CA 469 LEU 565 CD2 202 0.633E+00 -0.955E-02 -0.167E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3141 ASN 636 CA 469 LEU 568 CB 229 0.931E+00 -0.556E-02 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3142 ASN 636 CA 469 LEU 568 CG 230 0.902E+00 0.779E-02 -0.204E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3143 ASN 636 CA 469 LEU 568 CD1 231 0.757E+00 -0.673E-02 -0.579E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3144 ASN 636 CA 469 LEU 568 CD2 232 0.986E+00 -0.434E-02 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3145 ASN 636 C 470 ALA 561 CA 153 0.104E+01 -0.126E-01 -0.785E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3146 ASN 636 C 470 ALA 561 C 154 0.102E+01 0.264E+00 -0.779E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3147 ASN 636 C 470 ALA 561 O 155 0.951E+00 -0.284E+00 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3148 ASN 636 C 470 ALA 561 CB 156 0.983E+00 -0.112E+00 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3149 ASN 636 C 470 HIS 564 C 184 0.101E+01 0.311E+00 -0.825E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3150 ASN 636 C 470 HIS 564 O 185 0.104E+01 -0.238E+00 -0.730E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3151 ASN 636 C 470 HIS 564 CB 186 0.985E+00 -0.737E-01 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3152 ASN 636 C 470 HIS 564 HD1 193 0.981E+00 0.781E-01 -0.334E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3153 ASN 636 C 470 LEU 565 N 195 0.948E+00 -0.182E+00 -0.146E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3154 ASN 636 C 470 LEU 565 CA 196 0.917E+00 -0.547E-01 -0.164E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3155 ASN 636 C 470 LEU 565 C 197 0.105E+01 0.254E+00 -0.650E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3156 ASN 636 C 470 LEU 565 CB 199 0.884E+00 -0.827E-01 -0.203E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3157 ASN 636 C 470 LEU 565 CG 200 0.752E+00 0.146E+00 -0.534E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3158 ASN 636 C 470 LEU 565 CD1 201 0.796E+00 -0.844E-01 -0.382E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3159 ASN 636 C 470 LEU 565 CD2 202 0.643E+00 -0.127E+00 -0.134E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3160 ASN 636 C 470 LEU 568 CB 229 0.968E+00 -0.717E-01 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3161 ASN 636 C 470 LEU 568 CG 230 0.918E+00 0.104E+00 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3162 ASN 636 C 470 LEU 568 CD1 231 0.768E+00 -0.898E-01 -0.469E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3163 ASN 636 C 470 LEU 568 CD2 232 0.999E+00 -0.584E-01 -0.975E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3164 ASN 636 O 471 ALA 561 CA 153 0.100E+01 0.113E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3165 ASN 636 O 471 ALA 561 C 154 0.989E+00 -0.234E+00 -0.966E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3166 ASN 636 O 471 ALA 561 O 155 0.936E+00 0.247E+00 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3167 ASN 636 O 471 ALA 561 CB 156 0.933E+00 0.103E+00 -0.154E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3168 ASN 636 O 471 HIS 564 C 184 0.104E+01 -0.253E+00 -0.721E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3169 ASN 636 O 471 HIS 564 CB 186 0.101E+01 0.605E-01 -0.970E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3170 ASN 636 O 471 HIS 564 HD1 193 0.994E+00 -0.650E-01 -0.258E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3171 ASN 636 O 471 LEU 565 N 195 0.968E+00 0.150E+00 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3172 ASN 636 O 471 LEU 565 CA 196 0.940E+00 0.447E-01 -0.147E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3173 ASN 636 O 471 LEU 565 CB 199 0.891E+00 0.694E-01 -0.204E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3174 ASN 636 O 471 LEU 565 CG 200 0.750E+00 -0.125E+00 -0.570E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3175 ASN 636 O 471 LEU 565 CD1 201 0.781E+00 0.740E-01 -0.445E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3176 ASN 636 O 471 LEU 565 CD2 202 0.661E+00 0.102E+00 -0.120E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3177 ASN 636 O 471 LEU 568 CB 229 0.104E+01 0.547E-01 -0.795E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3178 ASN 636 O 471 LEU 568 CG 230 0.990E+00 -0.785E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3179 ASN 636 O 471 LEU 568 CD1 231 0.843E+00 0.649E-01 -0.283E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3180 ASN 636 CB 472 LEU 565 CB 199 0.103E+01 0.995E-02 -0.911E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3181 ASN 636 CB 472 LEU 565 CG 200 0.904E+00 -0.162E-01 -0.201E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3182 ASN 636 CB 472 LEU 565 CD1 201 0.927E+00 0.997E-02 -0.172E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3183 ASN 636 CB 472 LEU 565 CD2 202 0.779E+00 0.134E-01 -0.489E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3184 ASN 636 CB 472 LEU 568 CB 229 0.104E+01 0.985E-02 -0.873E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3185 ASN 636 CB 472 LEU 568 CG 230 0.101E+01 -0.136E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3186 ASN 636 CB 472 LEU 568 CD1 231 0.871E+00 0.110E-01 -0.251E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3187 ASN 636 CG 473 LEU 565 CG 200 0.943E+00 0.942E-01 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3188 ASN 636 CG 473 LEU 565 CD1 201 0.952E+00 -0.595E-01 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3189 ASN 636 CG 473 LEU 565 CD2 202 0.814E+00 -0.768E-01 -0.333E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3190 ASN 636 CG 473 LEU 568 CB 229 0.105E+01 -0.606E-01 -0.742E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3191 ASN 636 CG 473 LEU 568 CG 230 0.104E+01 0.811E-01 -0.756E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3192 ASN 636 CG 473 LEU 568 CD1 231 0.908E+00 -0.640E-01 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3193 ASN 636 OD1 474 LEU 565 CB 199 0.102E+01 0.568E-01 -0.909E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3194 ASN 636 OD1 474 LEU 565 CG 200 0.895E+00 -0.923E-01 -0.198E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3195 ASN 636 OD1 474 LEU 565 CD1 201 0.886E+00 0.601E-01 -0.210E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3196 ASN 636 OD1 474 LEU 565 CD2 202 0.772E+00 0.761E-01 -0.479E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3197 ASN 636 OD1 474 LEU 568 CB 229 0.103E+01 0.558E-01 -0.846E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3198 ASN 636 OD1 474 LEU 568 CG 230 0.104E+01 -0.733E-01 -0.795E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3199 ASN 636 OD1 474 LEU 568 CD1 231 0.913E+00 0.573E-01 -0.175E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3200 ASN 636 ND2 475 LEU 565 CG 200 0.105E+01 -0.108E+00 -0.902E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3201 ASN 636 ND2 475 LEU 565 CD2 202 0.912E+00 0.851E-01 -0.208E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3202 ASN 636 ND2 475 LEU 568 CD1 231 0.957E+00 0.790E-01 -0.156E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3203 ASN 637 N 479 ALA 561 CA 153 0.101E+01 0.908E-02 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3204 ASN 637 N 479 ALA 561 C 154 0.100E+01 -0.188E+00 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3205 ASN 637 N 479 ALA 561 O 155 0.933E+00 0.204E+00 -0.167E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3206 ASN 637 N 479 ALA 561 CB 156 0.970E+00 0.795E-01 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3207 ASN 637 N 479 HIS 564 CA 183 0.103E+01 -0.987E-02 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3208 ASN 637 N 479 HIS 564 C 184 0.968E+00 -0.230E+00 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3209 ASN 637 N 479 HIS 564 O 185 0.993E+00 0.177E+00 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3210 ASN 637 N 479 HIS 564 CB 186 0.927E+00 0.564E-01 -0.189E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3211 ASN 637 N 479 HIS 564 CG 187 0.101E+01 -0.903E-01 -0.988E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3212 ASN 637 N 479 HIS 564 ND1 188 0.986E+00 0.143E+00 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3213 ASN 637 N 479 HIS 564 HD1 193 0.903E+00 -0.619E-01 -0.629E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3214 ASN 637 N 479 LEU 565 N 195 0.925E+00 0.132E+00 -0.207E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3215 ASN 637 N 479 LEU 565 CA 196 0.908E+00 0.387E-01 -0.212E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3216 ASN 637 N 479 LEU 565 C 197 0.104E+01 -0.178E+00 -0.824E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3217 ASN 637 N 479 LEU 565 CB 199 0.895E+00 0.564E-01 -0.232E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3218 ASN 637 N 479 LEU 565 CG 200 0.776E+00 -0.961E-01 -0.545E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3219 ASN 637 N 479 LEU 565 CD1 201 0.843E+00 0.533E-01 -0.333E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3220 ASN 637 N 479 LEU 565 CD2 202 0.663E+00 0.830E-01 -0.139E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3221 ASN 637 N 479 LEU 568 CB 229 0.933E+00 0.529E-01 -0.181E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3222 ASN 637 N 479 LEU 568 CG 230 0.866E+00 -0.795E-01 -0.283E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3223 ASN 637 N 479 LEU 568 CD1 231 0.715E+00 0.715E-01 -0.885E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3224 ASN 637 N 479 LEU 568 CD2 232 0.932E+00 0.452E-01 -0.182E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3225 ASN 637 CA 480 ALA 561 CA 153 0.950E+00 -0.105E-02 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3226 ASN 637 CA 480 ALA 561 C 154 0.961E+00 0.209E-01 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3227 ASN 637 CA 480 ALA 561 O 155 0.900E+00 -0.226E-01 -0.191E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3228 ASN 637 CA 480 ALA 561 CB 156 0.902E+00 -0.932E-02 -0.203E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3229 ASN 637 CA 480 HIS 564 CA 183 0.101E+01 0.106E-02 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3230 ASN 637 CA 480 HIS 564 C 184 0.968E+00 0.240E-01 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3231 ASN 637 CA 480 HIS 564 O 185 0.100E+01 -0.182E-01 -0.995E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3232 ASN 637 CA 480 HIS 564 CB 186 0.891E+00 -0.629E-02 -0.219E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3233 ASN 637 CA 480 HIS 564 CG 187 0.957E+00 0.103E-01 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3234 ASN 637 CA 480 HIS 564 ND1 188 0.914E+00 -0.168E-01 -0.204E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3235 ASN 637 CA 480 HIS 564 CE1 190 0.102E+01 0.872E-03 -0.856E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3236 ASN 637 CA 480 HIS 564 HD1 193 0.826E+00 0.751E-02 -0.106E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3237 ASN 637 CA 480 LEU 565 N 195 0.931E+00 -0.137E-01 -0.183E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3238 ASN 637 CA 480 LEU 565 CA 196 0.936E+00 -0.386E-02 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3239 ASN 637 CA 480 LEU 565 CB 199 0.927E+00 -0.559E-02 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3240 ASN 637 CA 480 LEU 565 CG 200 0.812E+00 0.928E-02 -0.382E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3241 ASN 637 CA 480 LEU 565 CD1 201 0.891E+00 -0.509E-02 -0.219E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3242 ASN 637 CA 480 LEU 565 CD2 202 0.715E+00 -0.748E-02 -0.809E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3243 ASN 637 CA 480 LEU 568 CB 229 0.990E+00 -0.506E-02 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3244 ASN 637 CA 480 LEU 568 CG 230 0.903E+00 0.776E-02 -0.201E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3245 ASN 637 CA 480 LEU 568 CD1 231 0.755E+00 -0.676E-02 -0.587E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3246 ASN 637 CA 480 LEU 568 CD2 232 0.963E+00 -0.450E-02 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3247 ASN 637 C 481 GLU 560 C 144 0.103E+01 0.214E+00 -0.734E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3248 ASN 637 C 481 GLU 560 O 145 0.100E+01 -0.280E+00 -0.889E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3249 ASN 637 C 481 ALA 561 N 152 0.945E+00 -0.209E+00 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3250 ASN 637 C 481 ALA 561 CA 153 0.807E+00 -0.188E-01 -0.352E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3251 ASN 637 C 481 ALA 561 C 154 0.822E+00 0.370E+00 -0.279E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3252 ASN 637 C 481 ALA 561 O 155 0.770E+00 -0.404E+00 -0.431E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3253 ASN 637 C 481 ALA 561 CB 156 0.753E+00 -0.175E+00 -0.531E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3254 ASN 637 C 481 GLN 562 N 158 0.929E+00 -0.205E+00 -0.165E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3255 ASN 637 C 481 GLN 562 CA 159 0.978E+00 0.181E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3256 ASN 637 C 481 GLN 562 C 160 0.104E+01 0.188E+00 -0.680E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3257 ASN 637 C 481 HIS 564 N 182 0.978E+00 -0.259E+00 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3258 ASN 637 C 481 HIS 564 CA 183 0.911E+00 0.170E-01 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3259 ASN 637 C 481 HIS 564 C 184 0.883E+00 0.381E+00 -0.181E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3260 ASN 637 C 481 HIS 564 O 185 0.934E+00 -0.278E+00 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3261 ASN 637 C 481 HIS 564 CB 186 0.796E+00 -0.104E+00 -0.381E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3262 ASN 637 C 481 HIS 564 CG 187 0.861E+00 0.167E+00 -0.211E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3263 ASN 637 C 481 HIS 564 ND1 188 0.817E+00 -0.277E+00 -0.354E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3264 ASN 637 C 481 HIS 564 CD2 189 0.998E+00 -0.142E+00 -0.872E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3265 ASN 637 C 481 HIS 564 CE1 190 0.926E+00 0.139E-01 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3266 ASN 637 C 481 HIS 564 NE2 191 0.103E+01 -0.448E-01 -0.910E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3267 ASN 637 C 481 HIS 564 HD1 193 0.729E+00 0.129E+00 -0.198E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3268 ASN 637 C 481 LEU 565 N 195 0.836E+00 -0.224E+00 -0.309E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3269 ASN 637 C 481 LEU 565 CA 196 0.851E+00 -0.617E-01 -0.255E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3270 ASN 637 C 481 LEU 565 C 197 0.100E+01 0.272E+00 -0.862E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3271 ASN 637 C 481 LEU 565 O 198 0.104E+01 -0.248E+00 -0.693E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3272 ASN 637 C 481 LEU 565 CB 199 0.830E+00 -0.918E-01 -0.295E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3273 ASN 637 C 481 LEU 565 CG 200 0.714E+00 0.161E+00 -0.724E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3274 ASN 637 C 481 LEU 565 CD1 201 0.796E+00 -0.843E-01 -0.379E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3275 ASN 637 C 481 LEU 565 CD2 202 0.640E+00 -0.128E+00 -0.138E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3276 ASN 637 C 481 LEU 568 CB 229 0.968E+00 -0.718E-01 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3277 ASN 637 C 481 LEU 568 CG 230 0.877E+00 0.112E+00 -0.213E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3278 ASN 637 C 481 LEU 568 CD1 231 0.734E+00 -0.978E-01 -0.616E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3279 ASN 637 C 481 LEU 568 CD2 232 0.951E+00 -0.630E-01 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3280 ASN 637 O 482 ARG 557 O 113 0.995E+00 0.235E+00 -0.943E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3281 ASN 637 O 482 ALA 558 O 130 0.102E+01 0.217E+00 -0.804E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3282 ASN 637 O 482 GLU 560 C 144 0.100E+01 -0.188E+00 -0.880E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3283 ASN 637 O 482 GLU 560 O 145 0.994E+00 0.241E+00 -0.953E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3284 ASN 637 O 482 ALA 561 N 152 0.912E+00 0.188E+00 -0.190E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3285 ASN 637 O 482 ALA 561 CA 153 0.779E+00 0.169E-01 -0.452E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3286 ASN 637 O 482 ALA 561 C 154 0.813E+00 -0.320E+00 -0.311E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3287 ASN 637 O 482 ALA 561 O 155 0.779E+00 0.336E+00 -0.409E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3288 ASN 637 O 482 ALA 561 CB 156 0.708E+00 0.166E+00 -0.804E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3289 ASN 637 O 482 GLN 562 N 158 0.918E+00 0.178E+00 -0.184E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3290 ASN 637 O 482 GLN 562 CA 159 0.980E+00 -0.153E-01 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3291 ASN 637 O 482 GLN 562 CG 163 0.105E+01 0.754E-02 -0.773E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3292 ASN 637 O 482 HIS 564 N 182 0.101E+01 0.210E+00 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3293 ASN 637 O 482 HIS 564 CA 183 0.955E+00 -0.134E-01 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3294 ASN 637 O 482 HIS 564 C 184 0.941E+00 -0.293E+00 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3295 ASN 637 O 482 HIS 564 O 185 0.100E+01 0.212E+00 -0.898E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3296 ASN 637 O 482 HIS 564 CB 186 0.834E+00 0.817E-01 -0.302E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3297 ASN 637 O 482 HIS 564 CG 187 0.885E+00 -0.135E+00 -0.187E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3298 ASN 637 O 482 HIS 564 ND1 188 0.830E+00 0.229E+00 -0.336E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3299 ASN 637 O 482 HIS 564 CD2 189 0.102E+01 0.117E+00 -0.802E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3300 ASN 637 O 482 HIS 564 CE1 190 0.930E+00 -0.117E-01 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3301 ASN 637 O 482 HIS 564 NE2 191 0.104E+01 0.375E-01 -0.885E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3302 ASN 637 O 482 HIS 564 HD1 193 0.740E+00 -0.106E+00 -0.152E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3303 ASN 637 O 482 LEU 565 N 195 0.890E+00 0.171E+00 -0.221E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3304 ASN 637 O 482 LEU 565 CA 196 0.915E+00 0.466E-01 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3305 ASN 637 O 482 LEU 565 CB 199 0.884E+00 0.703E-01 -0.213E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3306 ASN 637 O 482 LEU 565 CG 200 0.766E+00 -0.120E+00 -0.501E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3307 ASN 637 O 482 LEU 565 CD1 201 0.842E+00 0.650E-01 -0.284E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3308 ASN 637 O 482 LEU 565 CD2 202 0.712E+00 0.878E-01 -0.772E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3309 ASN 637 O 482 LEU 568 CG 230 0.974E+00 -0.805E-01 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3310 ASN 637 O 482 LEU 568 CD1 231 0.835E+00 0.659E-01 -0.299E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3311 ASN 637 O 482 LEU 568 CD2 232 0.105E+01 0.463E-01 -0.765E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3312 ASN 637 CB 483 ALA 561 CA 153 0.955E+00 0.217E-02 -0.144E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3313 ASN 637 CB 483 ALA 561 C 154 0.974E+00 -0.428E-01 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3314 ASN 637 CB 483 ALA 561 O 155 0.907E+00 0.466E-01 -0.182E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3315 ASN 637 CB 483 ALA 561 CB 156 0.926E+00 0.187E-01 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3316 ASN 637 CB 483 HIS 564 CA 183 0.965E+00 -0.236E-02 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3317 ASN 637 CB 483 HIS 564 C 184 0.940E+00 -0.526E-01 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3318 ASN 637 CB 483 HIS 564 O 185 0.967E+00 0.402E-01 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3319 ASN 637 CB 483 HIS 564 CB 186 0.843E+00 0.144E-01 -0.305E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3320 ASN 637 CB 483 HIS 564 CG 187 0.896E+00 -0.238E-01 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3321 ASN 637 CB 483 HIS 564 ND1 188 0.845E+00 0.398E-01 -0.326E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3322 ASN 637 CB 483 HIS 564 CD2 189 0.103E+01 0.207E-01 -0.823E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3323 ASN 637 CB 483 HIS 564 CE1 190 0.945E+00 -0.204E-02 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3324 ASN 637 CB 483 HIS 564 NE2 191 0.105E+01 0.662E-02 -0.903E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3325 ASN 637 CB 483 HIS 564 HD1 193 0.757E+00 -0.183E-01 -0.178E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3326 ASN 637 CB 483 LEU 565 N 195 0.923E+00 0.290E-01 -0.193E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3327 ASN 637 CB 483 LEU 565 CA 196 0.944E+00 0.797E-02 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3328 ASN 637 CB 483 LEU 565 CB 199 0.957E+00 0.111E-01 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3329 ASN 637 CB 483 LEU 565 CG 200 0.861E+00 -0.175E-01 -0.269E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3330 ASN 637 CB 483 LEU 565 CD1 201 0.960E+00 0.945E-02 -0.140E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3331 ASN 637 CB 483 LEU 565 CD2 202 0.761E+00 0.139E-01 -0.559E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3332 ASN 637 CB 483 LEU 568 CB 229 0.958E+00 0.111E-01 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3333 ASN 637 CB 483 LEU 568 CG 230 0.856E+00 -0.177E-01 -0.277E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3334 ASN 637 CB 483 LEU 568 CD1 231 0.714E+00 0.157E-01 -0.820E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3335 ASN 637 CB 483 LEU 568 CD2 232 0.894E+00 0.106E-01 -0.214E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3336 ASN 637 CG 484 HIS 564 CB 186 0.959E+00 -0.727E-01 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3337 ASN 637 CG 484 HIS 564 CG 187 0.101E+01 0.124E+00 -0.830E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3338 ASN 637 CG 484 HIS 564 ND1 188 0.953E+00 -0.204E+00 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3339 ASN 637 CG 484 HIS 564 CE1 190 0.105E+01 0.109E-01 -0.657E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3340 ASN 637 CG 484 HIS 564 HD1 193 0.867E+00 0.898E-01 -0.700E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3341 ASN 637 CG 484 LEU 565 N 195 0.105E+01 -0.149E+00 -0.799E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3342 ASN 637 CG 484 LEU 565 CG 200 0.997E+00 0.867E-01 -0.992E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3343 ASN 637 CG 484 LEU 565 CD2 202 0.886E+00 -0.666E-01 -0.200E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3344 ASN 637 CG 484 LEU 568 CB 229 0.103E+01 -0.622E-01 -0.830E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3345 ASN 637 CG 484 LEU 568 CG 230 0.926E+00 0.968E-01 -0.154E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3346 ASN 637 CG 484 LEU 568 CD1 231 0.788E+00 -0.814E-01 -0.405E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3347 ASN 637 CG 484 LEU 568 CD2 232 0.944E+00 -0.602E-01 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3348 ASN 637 OD1 485 HIS 564 HD1 193 0.983E+00 -0.665E-01 -0.277E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3349 ASN 637 OD1 485 LEU 565 CD2 202 0.956E+00 0.533E-01 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3350 ASN 637 OD1 485 LEU 568 CG 230 0.103E+01 -0.749E-01 -0.869E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3351 ASN 637 OD1 485 LEU 568 CD1 231 0.885E+00 0.602E-01 -0.212E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3352 ASN 637 OD1 485 LEU 568 CD2 232 0.105E+01 0.466E-01 -0.768E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3353 ASN 637 ND2 486 HIS 564 C 184 0.105E+01 -0.373E+00 -0.813E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3354 ASN 637 ND2 486 HIS 564 O 185 0.105E+01 0.297E+00 -0.825E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3355 ASN 637 ND2 486 HIS 564 CB 186 0.945E+00 0.996E-01 -0.168E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3356 ASN 637 ND2 486 HIS 564 CG 187 0.983E+00 -0.171E+00 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3357 ASN 637 ND2 486 HIS 564 ND1 188 0.929E+00 0.284E+00 -0.201E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3358 ASN 637 ND2 486 HIS 564 CE1 190 0.102E+01 -0.153E-01 -0.969E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3359 ASN 637 ND2 486 HIS 564 HD1 193 0.848E+00 -0.125E+00 -0.915E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3360 ASN 637 ND2 486 LEU 565 CG 200 0.104E+01 -0.108E+00 -0.918E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3361 ASN 637 ND2 486 LEU 565 CD2 202 0.932E+00 0.822E-01 -0.182E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3362 ASN 637 ND2 486 LEU 568 CB 229 0.100E+01 0.862E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3363 ASN 637 ND2 486 LEU 568 CG 230 0.895E+00 -0.137E+00 -0.232E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3364 ASN 637 ND2 486 LEU 568 CD1 231 0.767E+00 0.114E+00 -0.583E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3365 ASN 637 ND2 486 LEU 568 CD2 232 0.892E+00 0.882E-01 -0.236E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3366 TYR 638 N 490 ARG 557 O 113 0.101E+01 0.213E+00 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3367 TYR 638 N 490 ALA 558 O 130 0.993E+00 0.210E+00 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3368 TYR 638 N 490 GLU 560 C 144 0.944E+00 -0.192E+00 -0.150E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3369 TYR 638 N 490 GLU 560 O 145 0.909E+00 0.257E+00 -0.194E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3370 TYR 638 N 490 ALA 561 N 152 0.869E+00 0.189E+00 -0.301E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3371 TYR 638 N 490 ALA 561 CA 153 0.727E+00 0.179E-01 -0.805E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3372 TYR 638 N 490 ALA 561 C 154 0.724E+00 -0.367E+00 -0.728E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3373 TYR 638 N 490 ALA 561 O 155 0.660E+00 0.428E+00 -0.131E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3374 TYR 638 N 490 ALA 561 CB 156 0.690E+00 0.163E+00 -0.110E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3375 TYR 638 N 490 GLN 562 N 158 0.832E+00 0.195E+00 -0.392E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3376 TYR 638 N 490 GLN 562 CA 159 0.870E+00 -0.172E-01 -0.275E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3377 TYR 638 N 490 GLN 562 C 160 0.924E+00 -0.177E+00 -0.171E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3378 TYR 638 N 490 GLN 562 O 161 0.933E+00 0.235E+00 -0.166E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3379 TYR 638 N 490 GLN 562 CB 162 0.993E+00 0.121E-01 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3380 TYR 638 N 490 GLN 562 CG 163 0.968E+00 0.788E-02 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3381 TYR 638 N 490 GLN 563 N 170 0.983E+00 0.149E+00 -0.144E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3382 TYR 638 N 490 GLN 563 C 172 0.971E+00 -0.164E+00 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3383 TYR 638 N 490 GLN 563 O 173 0.102E+01 0.206E+00 -0.968E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3384 TYR 638 N 490 HIS 564 N 182 0.860E+00 0.251E+00 -0.321E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3385 TYR 638 N 490 HIS 564 CA 183 0.791E+00 -0.170E-01 -0.487E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3386 TYR 638 N 490 HIS 564 C 184 0.754E+00 -0.396E+00 -0.572E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3387 TYR 638 N 490 HIS 564 O 185 0.805E+00 0.281E+00 -0.403E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3388 TYR 638 N 490 HIS 564 CB 186 0.683E+00 0.110E+00 -0.117E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3389 TYR 638 N 490 HIS 564 CG 187 0.762E+00 -0.163E+00 -0.538E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3390 TYR 638 N 490 HIS 564 ND1 188 0.734E+00 0.266E+00 -0.824E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3391 TYR 638 N 490 HIS 564 CD2 189 0.900E+00 0.131E+00 -0.199E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3392 TYR 638 N 490 HIS 564 CE1 190 0.851E+00 -0.126E-01 -0.279E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3393 TYR 638 N 490 HIS 564 NE2 191 0.941E+00 0.403E-01 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3394 TYR 638 N 490 HIS 564 HD1 193 0.651E+00 -0.127E+00 -0.445E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3395 TYR 638 N 490 LEU 565 N 195 0.705E+00 0.241E+00 -0.105E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3396 TYR 638 N 490 LEU 565 CA 196 0.718E+00 0.662E-01 -0.867E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3397 TYR 638 N 490 LEU 565 C 197 0.866E+00 -0.269E+00 -0.250E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3398 TYR 638 N 490 LEU 565 O 198 0.912E+00 0.241E+00 -0.191E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3399 TYR 638 N 490 LEU 565 CB 199 0.702E+00 0.987E-01 -0.992E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3400 TYR 638 N 490 LEU 565 CG 200 0.591E+00 -0.187E+00 -0.271E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3401 TYR 638 N 490 LEU 565 CD1 201 0.684E+00 0.884E-01 -0.115E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3402 TYR 638 N 490 LEU 565 CD2 202 0.515E+00 0.163E+00 -0.594E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3403 TYR 638 N 490 LEU 566 N 204 0.959E+00 0.142E+00 -0.166E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3404 TYR 638 N 490 LEU 568 N 225 0.101E+01 0.132E+00 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3405 TYR 638 N 490 LEU 568 CA 226 0.989E+00 0.385E-01 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3406 TYR 638 N 490 LEU 568 CB 229 0.845E+00 0.704E-01 -0.327E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3407 TYR 638 N 490 LEU 568 CG 230 0.757E+00 -0.114E+00 -0.632E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3408 TYR 638 N 490 LEU 568 CD1 231 0.616E+00 0.109E+00 -0.213E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3409 TYR 638 N 490 LEU 568 CD2 232 0.840E+00 0.608E-01 -0.340E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3410 TYR 638 CA 491 ARG 557 C 112 0.981E+00 0.577E-02 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3411 TYR 638 CA 491 ARG 557 O 113 0.881E+00 -0.541E-02 -0.218E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3412 TYR 638 CA 491 ALA 558 N 127 0.102E+01 -0.302E-02 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3413 TYR 638 CA 491 ALA 558 CA 128 0.953E+00 -0.232E-03 -0.146E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3414 TYR 638 CA 491 ALA 558 C 129 0.944E+00 0.478E-02 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3415 TYR 638 CA 491 ALA 558 O 130 0.849E+00 -0.552E-02 -0.271E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3416 TYR 638 CA 491 ALA 558 CB 131 0.105E+01 -0.165E-02 -0.825E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3417 TYR 638 CA 491 ILE 559 C 135 0.102E+01 0.428E-02 -0.888E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3418 TYR 638 CA 491 ILE 559 O 136 0.987E+00 -0.486E-02 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3419 TYR 638 CA 491 GLU 560 N 142 0.100E+01 -0.324E-02 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3420 TYR 638 CA 491 GLU 560 CA 143 0.961E+00 0.261E-03 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3421 TYR 638 CA 491 GLU 560 C 144 0.815E+00 0.501E-02 -0.330E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3422 TYR 638 CA 491 GLU 560 O 145 0.788E+00 -0.672E-02 -0.424E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3423 TYR 638 CA 491 GLU 560 CB 146 0.100E+01 0.574E-03 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3424 TYR 638 CA 491 ALA 561 N 152 0.735E+00 -0.521E-02 -0.754E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3425 TYR 638 CA 491 ALA 561 CA 153 0.591E+00 -0.558E-03 -0.248E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3426 TYR 638 CA 491 ALA 561 C 154 0.587E+00 0.115E-01 -0.228E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3427 TYR 638 CA 491 ALA 561 O 155 0.532E+00 -0.140E-01 -0.427E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3428 TYR 638 CA 491 ALA 561 CB 156 0.551E+00 -0.536E-02 -0.372E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3429 TYR 638 CA 491 GLN 562 N 158 0.692E+00 -0.558E-02 -0.107E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3430 TYR 638 CA 491 GLN 562 CA 159 0.736E+00 0.474E-03 -0.682E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3431 TYR 638 CA 491 GLN 562 C 160 0.799E+00 0.463E-02 -0.372E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3432 TYR 638 CA 491 GLN 562 O 161 0.819E+00 -0.598E-02 -0.337E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3433 TYR 638 CA 491 GLN 562 CB 162 0.857E+00 -0.313E-03 -0.275E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3434 TYR 638 CA 491 GLN 562 CG 163 0.830E+00 -0.207E-03 -0.333E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3435 TYR 638 CA 491 GLN 562 CD 164 0.967E+00 0.540E-02 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3436 TYR 638 CA 491 GLN 562 NE2 166 0.983E+00 -0.696E-02 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3437 TYR 638 CA 491 GLN 563 N 170 0.858E+00 -0.378E-02 -0.298E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3438 TYR 638 CA 491 GLN 563 CA 171 0.940E+00 0.312E-03 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3439 TYR 638 CA 491 GLN 563 C 172 0.868E+00 0.401E-02 -0.226E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3440 TYR 638 CA 491 GLN 563 O 173 0.929E+00 -0.486E-02 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3441 TYR 638 CA 491 GLN 563 CB 174 0.103E+01 -0.237E-03 -0.940E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3442 TYR 638 CA 491 HIS 564 N 182 0.759E+00 -0.639E-02 -0.622E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3443 TYR 638 CA 491 HIS 564 CA 183 0.709E+00 0.427E-03 -0.855E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3444 TYR 638 CA 491 HIS 564 C 184 0.682E+00 0.983E-02 -0.955E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3445 TYR 638 CA 491 HIS 564 O 185 0.750E+00 -0.654E-02 -0.567E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3446 TYR 638 CA 491 HIS 564 CB 186 0.605E+00 -0.288E-02 -0.217E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3447 TYR 638 CA 491 HIS 564 CG 187 0.684E+00 0.409E-02 -0.932E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3448 TYR 638 CA 491 HIS 564 ND1 188 0.662E+00 -0.667E-02 -0.140E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3449 TYR 638 CA 491 HIS 564 CD2 189 0.821E+00 -0.314E-02 -0.317E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3450 TYR 638 CA 491 HIS 564 CE1 190 0.779E+00 0.300E-03 -0.433E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3451 TYR 638 CA 491 HIS 564 NE2 191 0.864E+00 -0.947E-03 -0.287E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3452 TYR 638 CA 491 HIS 564 HD1 193 0.584E+00 0.328E-02 -0.843E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3453 TYR 638 CA 491 LEU 565 N 195 0.620E+00 -0.639E-02 -0.206E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3454 TYR 638 CA 491 LEU 565 CA 196 0.643E+00 -0.168E-02 -0.151E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3455 TYR 638 CA 491 LEU 565 C 197 0.796E+00 0.637E-02 -0.379E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3456 TYR 638 CA 491 LEU 565 O 198 0.858E+00 -0.545E-02 -0.254E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3457 TYR 638 CA 491 LEU 565 CB 199 0.614E+00 -0.265E-02 -0.200E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3458 TYR 638 CA 491 LEU 565 CG 200 0.506E+00 0.543E-02 -0.593E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3459 TYR 638 CA 491 LEU 565 CD1 201 0.602E+00 -0.235E-02 -0.222E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3460 TYR 638 CA 491 LEU 565 CD2 202 0.464E+00 -0.429E-02 -0.928E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3461 TYR 638 CA 491 LEU 566 N 204 0.876E+00 -0.335E-02 -0.264E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3462 TYR 638 CA 491 LEU 566 CA 205 0.102E+01 -0.754E-03 -0.969E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3463 TYR 638 CA 491 GLN 567 N 213 0.104E+01 -0.281E-02 -0.948E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3464 TYR 638 CA 491 LEU 568 N 225 0.977E+00 -0.282E-02 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3465 TYR 638 CA 491 LEU 568 CA 226 0.979E+00 -0.802E-03 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3466 TYR 638 CA 491 LEU 568 CB 229 0.843E+00 -0.145E-02 -0.304E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3467 TYR 638 CA 491 LEU 568 CG 230 0.755E+00 0.235E-02 -0.586E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3468 TYR 638 CA 491 LEU 568 CD1 231 0.628E+00 -0.216E-02 -0.174E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3469 TYR 638 CA 491 LEU 568 CD2 232 0.851E+00 -0.122E-02 -0.288E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3470 TYR 638 C 492 ARG 557 C 112 0.970E+00 0.365E+00 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3471 TYR 638 C 492 ARG 557 O 113 0.879E+00 -0.338E+00 -0.196E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3472 TYR 638 C 492 ALA 558 N 127 0.991E+00 -0.196E+00 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3473 TYR 638 C 492 ALA 558 CA 128 0.907E+00 -0.156E-01 -0.174E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3474 TYR 638 C 492 ALA 558 C 129 0.904E+00 0.318E+00 -0.157E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3475 TYR 638 C 492 ALA 558 O 130 0.808E+00 -0.374E+00 -0.322E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3476 TYR 638 C 492 ALA 558 CB 131 0.985E+00 -0.112E+00 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3477 TYR 638 C 492 ILE 559 N 133 0.102E+01 -0.208E+00 -0.919E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3478 TYR 638 C 492 ILE 559 C 135 0.101E+01 0.268E+00 -0.804E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3479 TYR 638 C 492 ILE 559 O 136 0.988E+00 -0.302E+00 -0.968E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3480 TYR 638 C 492 GLU 560 N 142 0.101E+01 -0.199E+00 -0.990E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3481 TYR 638 C 492 GLU 560 CA 143 0.991E+00 0.155E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3482 TYR 638 C 492 GLU 560 C 144 0.849E+00 0.291E+00 -0.229E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3483 TYR 638 C 492 GLU 560 O 145 0.836E+00 -0.377E+00 -0.264E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3484 TYR 638 C 492 GLU 560 CB 146 0.104E+01 0.337E-01 -0.748E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3485 TYR 638 C 492 ALA 561 N 152 0.755E+00 -0.308E+00 -0.569E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3486 TYR 638 C 492 ALA 561 CA 153 0.612E+00 -0.322E-01 -0.179E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3487 TYR 638 C 492 ALA 561 C 154 0.596E+00 0.694E+00 -0.185E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3488 TYR 638 C 492 ALA 561 O 155 0.557E+00 -0.785E+00 -0.292E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3489 TYR 638 C 492 ALA 561 CB 156 0.547E+00 -0.339E+00 -0.343E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3490 TYR 638 C 492 GLN 562 N 158 0.680E+00 -0.359E+00 -0.106E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3491 TYR 638 C 492 GLN 562 CA 159 0.714E+00 0.313E-01 -0.728E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3492 TYR 638 C 492 GLN 562 C 160 0.797E+00 0.289E+00 -0.334E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3493 TYR 638 C 492 GLN 562 O 161 0.816E+00 -0.374E+00 -0.304E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3494 TYR 638 C 492 GLN 562 CB 162 0.816E+00 -0.212E-01 -0.327E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3495 TYR 638 C 492 GLN 562 CG 163 0.766E+00 -0.148E-01 -0.478E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3496 TYR 638 C 492 GLN 562 CD 164 0.892E+00 0.381E+00 -0.171E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3497 TYR 638 C 492 GLN 562 OE1 165 0.998E+00 -0.301E+00 -0.910E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3498 TYR 638 C 492 GLN 562 NE2 166 0.891E+00 -0.505E+00 -0.212E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3499 TYR 638 C 492 GLN 563 N 170 0.872E+00 -0.229E+00 -0.240E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3500 TYR 638 C 492 GLN 563 CA 171 0.969E+00 0.185E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3501 TYR 638 C 492 GLN 563 C 172 0.914E+00 0.230E+00 -0.147E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3502 TYR 638 C 492 GLN 563 O 173 0.978E+00 -0.279E+00 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3503 TYR 638 C 492 HIS 564 N 182 0.817E+00 -0.349E+00 -0.354E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3504 TYR 638 C 492 HIS 564 CA 183 0.786E+00 0.219E-01 -0.410E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3505 TYR 638 C 492 HIS 564 C 184 0.748E+00 0.512E+00 -0.488E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3506 TYR 638 C 492 HIS 564 O 185 0.823E+00 -0.345E+00 -0.290E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3507 TYR 638 C 492 HIS 564 CB 186 0.699E+00 -0.133E+00 -0.820E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3508 TYR 638 C 492 HIS 564 CG 187 0.787E+00 0.196E+00 -0.360E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3509 TYR 638 C 492 HIS 564 ND1 188 0.773E+00 -0.308E+00 -0.493E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3510 TYR 638 C 492 HIS 564 CD2 189 0.919E+00 -0.162E+00 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3511 TYR 638 C 492 HIS 564 CE1 190 0.889E+00 0.149E-01 -0.174E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3512 TYR 638 C 492 HIS 564 NE2 191 0.968E+00 -0.492E-01 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3513 TYR 638 C 492 HIS 564 HD1 193 0.702E+00 0.140E+00 -0.249E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3514 TYR 638 C 492 LEU 565 N 195 0.663E+00 -0.346E+00 -0.122E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3515 TYR 638 C 492 LEU 565 CA 196 0.667E+00 -0.974E-01 -0.109E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3516 TYR 638 C 492 LEU 565 C 197 0.816E+00 0.380E+00 -0.291E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3517 TYR 638 C 492 LEU 565 O 198 0.879E+00 -0.326E+00 -0.195E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3518 TYR 638 C 492 LEU 565 CB 199 0.603E+00 -0.171E+00 -0.196E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3519 TYR 638 C 492 LEU 565 CG 200 0.473E+00 0.397E+00 -0.746E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3520 TYR 638 C 492 LEU 565 CD1 201 0.535E+00 -0.190E+00 -0.387E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3521 TYR 638 C 492 LEU 565 CD2 202 0.451E+00 -0.286E+00 -0.945E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3522 TYR 638 C 492 LEU 566 N 204 0.892E+00 -0.202E+00 -0.210E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3523 TYR 638 C 492 LEU 566 CA 205 0.104E+01 -0.459E-01 -0.786E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3524 TYR 638 C 492 LEU 568 N 225 0.104E+01 -0.160E+00 -0.839E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3525 TYR 638 C 492 LEU 568 CA 226 0.104E+01 -0.455E-01 -0.757E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3526 TYR 638 C 492 LEU 568 CB 229 0.908E+00 -0.798E-01 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3527 TYR 638 C 492 LEU 568 CG 230 0.840E+00 0.121E+00 -0.275E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3528 TYR 638 C 492 LEU 568 CD1 231 0.716E+00 -0.103E+00 -0.715E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3529 TYR 638 C 492 LEU 568 CD2 232 0.951E+00 -0.634E-01 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3530 TYR 638 O 493 ARG 557 CA 111 0.991E+00 0.538E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3531 TYR 638 O 493 ARG 557 C 112 0.869E+00 -0.368E+00 -0.209E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3532 TYR 638 O 493 ARG 557 O 113 0.785E+00 0.347E+00 -0.392E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3533 TYR 638 O 493 ARG 557 CB 114 0.100E+01 0.150E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3534 TYR 638 O 493 ALA 558 N 127 0.883E+00 0.199E+00 -0.231E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3535 TYR 638 O 493 ALA 558 CA 128 0.798E+00 0.163E-01 -0.392E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3536 TYR 638 O 493 ALA 558 C 129 0.806E+00 -0.327E+00 -0.327E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3537 TYR 638 O 493 ALA 558 O 130 0.717E+00 0.394E+00 -0.674E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3538 TYR 638 O 493 ALA 558 CB 131 0.872E+00 0.115E+00 -0.232E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3539 TYR 638 O 493 ILE 559 N 133 0.930E+00 0.204E+00 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3540 TYR 638 O 493 ILE 559 CA 134 0.985E+00 0.423E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3541 TYR 638 O 493 ILE 559 C 135 0.940E+00 -0.253E+00 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3542 TYR 638 O 493 ILE 559 O 136 0.929E+00 0.281E+00 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3543 TYR 638 O 493 GLU 560 N 142 0.939E+00 0.189E+00 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3544 TYR 638 O 493 GLU 560 CA 143 0.931E+00 -0.144E-01 -0.156E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3545 TYR 638 O 493 GLU 560 C 144 0.796E+00 -0.275E+00 -0.353E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3546 TYR 638 O 493 GLU 560 O 145 0.800E+00 0.344E+00 -0.349E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3547 TYR 638 O 493 GLU 560 CB 146 0.983E+00 -0.312E-01 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3548 TYR 638 O 493 ALA 561 N 152 0.690E+00 0.309E+00 -0.101E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3549 TYR 638 O 493 ALA 561 CA 153 0.554E+00 0.339E-01 -0.339E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3550 TYR 638 O 493 ALA 561 C 154 0.551E+00 -0.698E+00 -0.310E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3551 TYR 638 O 493 ALA 561 O 155 0.537E+00 0.721E+00 -0.371E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3552 TYR 638 O 493 ALA 561 CB 156 0.465E+00 0.420E+00 -0.903E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3553 TYR 638 O 493 GLN 562 N 158 0.625E+00 0.361E+00 -0.181E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3554 TYR 638 O 493 GLN 562 CA 159 0.672E+00 -0.298E-01 -0.109E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3555 TYR 638 O 493 GLN 562 C 160 0.773E+00 -0.258E+00 -0.420E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3556 TYR 638 O 493 GLN 562 O 161 0.808E+00 0.323E+00 -0.329E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3557 TYR 638 O 493 GLN 562 CB 162 0.763E+00 0.202E-01 -0.512E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3558 TYR 638 O 493 GLN 562 CG 163 0.699E+00 0.149E-01 -0.862E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3559 TYR 638 O 493 GLN 562 CD 164 0.820E+00 -0.371E+00 -0.295E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3560 TYR 638 O 493 GLN 562 OE1 165 0.925E+00 0.286E+00 -0.146E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3561 TYR 638 O 493 GLN 562 NE2 166 0.820E+00 0.492E+00 -0.362E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3562 TYR 638 O 493 GLN 563 N 170 0.845E+00 0.205E+00 -0.302E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3563 TYR 638 O 493 GLN 563 CA 171 0.954E+00 -0.161E-01 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3564 TYR 638 O 493 GLN 563 C 172 0.917E+00 -0.194E+00 -0.152E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3565 TYR 638 O 493 GLN 563 O 173 0.992E+00 0.231E+00 -0.959E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3566 TYR 638 O 493 GLN 563 CB 174 0.104E+01 0.122E-01 -0.793E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3567 TYR 638 O 493 HIS 564 N 182 0.822E+00 0.292E+00 -0.354E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3568 TYR 638 O 493 HIS 564 CA 183 0.812E+00 -0.175E-01 -0.354E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3569 TYR 638 O 493 HIS 564 C 184 0.788E+00 -0.394E+00 -0.374E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3570 TYR 638 O 493 HIS 564 O 185 0.876E+00 0.263E+00 -0.203E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3571 TYR 638 O 493 HIS 564 CB 186 0.727E+00 0.105E+00 -0.685E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3572 TYR 638 O 493 HIS 564 CG 187 0.802E+00 -0.161E+00 -0.337E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3573 TYR 638 O 493 HIS 564 ND1 188 0.783E+00 0.255E+00 -0.474E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3574 TYR 638 O 493 HIS 564 CD2 189 0.928E+00 0.135E+00 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3575 TYR 638 O 493 HIS 564 CE1 190 0.891E+00 -0.126E-01 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3576 TYR 638 O 493 HIS 564 NE2 191 0.970E+00 0.415E-01 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3577 TYR 638 O 493 HIS 564 HD1 193 0.715E+00 -0.114E+00 -0.187E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3578 TYR 638 O 493 LEU 565 N 195 0.698E+00 0.265E+00 -0.945E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3579 TYR 638 O 493 LEU 565 CA 196 0.712E+00 0.726E-01 -0.775E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3580 TYR 638 O 493 LEU 565 C 197 0.859E+00 -0.295E+00 -0.224E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3581 TYR 638 O 493 LEU 565 O 198 0.934E+00 0.251E+00 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3582 TYR 638 O 493 LEU 565 CB 199 0.635E+00 0.130E+00 -0.153E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3583 TYR 638 O 493 LEU 565 CG 200 0.511E+00 -0.280E+00 -0.539E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3584 TYR 638 O 493 LEU 565 CD1 201 0.560E+00 0.146E+00 -0.320E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3585 TYR 638 O 493 LEU 565 CD2 202 0.523E+00 0.170E+00 -0.475E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3586 TYR 638 O 493 LEU 566 N 204 0.920E+00 0.163E+00 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3587 TYR 638 O 493 LEU 568 CB 229 0.996E+00 0.587E-01 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3588 TYR 638 O 493 LEU 568 CG 230 0.927E+00 -0.873E-01 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3589 TYR 638 O 493 LEU 568 CD1 231 0.811E+00 0.697E-01 -0.355E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3590 TYR 638 O 493 LEU 568 CD2 232 0.104E+01 0.471E-01 -0.804E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3591 TYR 638 CB 494 ARG 557 C 112 0.985E+00 -0.299E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3592 TYR 638 CB 494 ARG 557 O 113 0.875E+00 0.284E-01 -0.226E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3593 TYR 638 CB 494 ALA 558 N 127 0.103E+01 0.155E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3594 TYR 638 CB 494 ALA 558 CA 128 0.958E+00 0.119E-02 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3595 TYR 638 CB 494 ALA 558 C 129 0.925E+00 -0.256E-01 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3596 TYR 638 CB 494 ALA 558 O 130 0.822E+00 0.303E-01 -0.328E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3597 TYR 638 CB 494 ILE 559 N 133 0.103E+01 0.174E-01 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3598 TYR 638 CB 494 ILE 559 CA 134 0.104E+01 0.385E-02 -0.861E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3599 TYR 638 CB 494 ILE 559 C 135 0.953E+00 -0.244E-01 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3600 TYR 638 CB 494 ILE 559 O 136 0.909E+00 0.287E-01 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3601 TYR 638 CB 494 GLU 560 N 142 0.947E+00 0.183E-01 -0.165E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3602 TYR 638 CB 494 GLU 560 CA 143 0.896E+00 -0.152E-02 -0.212E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3603 TYR 638 CB 494 GLU 560 C 144 0.746E+00 -0.306E-01 -0.560E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3604 TYR 638 CB 494 GLU 560 O 145 0.699E+00 0.435E-01 -0.862E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3605 TYR 638 CB 494 GLU 560 CB 146 0.950E+00 -0.324E-02 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3606 TYR 638 CB 494 ALA 561 N 152 0.685E+00 0.310E-01 -0.115E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3607 TYR 638 CB 494 ALA 561 CA 153 0.542E+00 0.352E-02 -0.407E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3608 TYR 638 CB 494 ALA 561 C 154 0.513E+00 -0.813E-01 -0.489E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3609 TYR 638 CB 494 ALA 561 O 155 0.433E+00 0.120E+00 -0.131E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3610 TYR 638 CB 494 ALA 561 CB 156 0.540E+00 0.292E-01 -0.417E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3611 TYR 638 CB 494 GLN 562 N 158 0.621E+00 0.361E-01 -0.203E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3612 TYR 638 CB 494 GLN 562 CA 159 0.651E+00 -0.313E-02 -0.141E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3613 TYR 638 CB 494 GLN 562 C 160 0.691E+00 -0.315E-01 -0.882E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3614 TYR 638 CB 494 GLN 562 O 161 0.700E+00 0.414E-01 -0.855E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3615 TYR 638 CB 494 GLN 562 CB 162 0.784E+00 0.190E-02 -0.469E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3616 TYR 638 CB 494 GLN 562 CG 163 0.781E+00 0.120E-02 -0.480E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3617 TYR 638 CB 494 GLN 562 CD 164 0.923E+00 -0.302E-01 -0.157E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3618 TYR 638 CB 494 GLN 562 OE1 165 0.102E+01 0.245E-01 -0.921E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3619 TYR 638 CB 494 GLN 562 NE2 166 0.951E+00 0.381E-01 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3620 TYR 638 CB 494 GLN 563 N 170 0.749E+00 0.250E-01 -0.672E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3621 TYR 638 CB 494 GLN 563 CA 171 0.818E+00 -0.204E-02 -0.365E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3622 TYR 638 CB 494 GLN 563 C 172 0.735E+00 -0.280E-01 -0.613E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3623 TYR 638 CB 494 GLN 563 O 173 0.787E+00 0.333E-01 -0.426E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3624 TYR 638 CB 494 GLN 563 CB 174 0.909E+00 0.148E-02 -0.193E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3625 TYR 638 CB 494 GLN 563 CG 175 0.101E+01 0.783E-03 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3626 TYR 638 CB 494 HIS 564 N 182 0.627E+00 0.483E-01 -0.193E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3627 TYR 638 CB 494 HIS 564 CA 183 0.567E+00 -0.352E-02 -0.316E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3628 TYR 638 CB 494 HIS 564 C 184 0.531E+00 -0.870E-01 -0.403E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3629 TYR 638 CB 494 HIS 564 O 185 0.598E+00 0.534E-01 -0.217E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3630 TYR 638 CB 494 HIS 564 CB 186 0.472E+00 0.264E-01 -0.853E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3631 TYR 638 CB 494 HIS 564 CG 187 0.570E+00 -0.312E-01 -0.271E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3632 TYR 638 CB 494 HIS 564 ND1 188 0.569E+00 0.476E-01 -0.337E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3633 TYR 638 CB 494 HIS 564 CD2 189 0.706E+00 0.215E-01 -0.779E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3634 TYR 638 CB 494 HIS 564 CE1 190 0.694E+00 -0.194E-02 -0.856E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3635 TYR 638 CB 494 HIS 564 NE2 191 0.764E+00 0.609E-02 -0.596E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3636 TYR 638 CB 494 HIS 564 HD1 193 0.503E+00 -0.239E-01 -0.205E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3637 TYR 638 CB 494 LEU 565 N 195 0.475E+00 0.609E-01 -0.923E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3638 TYR 638 CB 494 LEU 565 CA 196 0.504E+00 0.150E-01 -0.608E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3639 TYR 638 CB 494 LEU 565 C 197 0.656E+00 -0.477E-01 -0.119E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3640 TYR 638 CB 494 LEU 565 O 198 0.720E+00 0.388E-01 -0.726E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3641 TYR 638 CB 494 LEU 565 CB 199 0.495E+00 0.224E-01 -0.669E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3642 TYR 638 CB 494 LEU 565 CG 200 0.411E+00 -0.472E-01 -0.155E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3643 TYR 638 CB 494 LEU 565 CD1 201 0.534E+00 0.160E-01 -0.441E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3644 TYR 638 CB 494 LEU 565 CD2 202 0.368E+00 0.404E-01 -0.168E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3645 TYR 638 CB 494 LEU 566 N 204 0.737E+00 0.236E-01 -0.740E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3646 TYR 638 CB 494 LEU 566 CA 205 0.881E+00 0.492E-02 -0.234E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3647 TYR 638 CB 494 LEU 566 C 206 0.929E+00 -0.256E-01 -0.151E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3648 TYR 638 CB 494 LEU 566 O 207 0.102E+01 0.218E-01 -0.921E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3649 TYR 638 CB 494 LEU 566 CB 208 0.967E+00 0.605E-02 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3650 TYR 638 CB 494 LEU 566 CG 209 0.103E+01 -0.740E-02 -0.944E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3651 TYR 638 CB 494 GLN 567 N 213 0.889E+00 0.186E-01 -0.242E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3652 TYR 638 CB 494 GLN 567 CA 214 0.958E+00 -0.158E-02 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3653 TYR 638 CB 494 GLN 567 C 215 0.945E+00 -0.183E-01 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3654 TYR 638 CB 494 GLN 567 CB 217 0.937E+00 0.141E-02 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3655 TYR 638 CB 494 GLN 567 CG 218 0.100E+01 0.800E-03 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3656 TYR 638 CB 494 LEU 568 N 225 0.829E+00 0.191E-01 -0.366E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3657 TYR 638 CB 494 LEU 568 CA 226 0.838E+00 0.534E-02 -0.315E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3658 TYR 638 CB 494 LEU 568 C 227 0.935E+00 -0.254E-01 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3659 TYR 638 CB 494 LEU 568 O 228 0.103E+01 0.213E-01 -0.835E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3660 TYR 638 CB 494 LEU 568 CB 229 0.708E+00 0.103E-01 -0.858E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3661 TYR 638 CB 494 LEU 568 CG 230 0.617E+00 -0.181E-01 -0.193E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3662 TYR 638 CB 494 LEU 568 CD1 231 0.501E+00 0.185E-01 -0.627E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3663 TYR 638 CB 494 LEU 568 CD2 232 0.719E+00 0.857E-02 -0.787E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3664 TYR 638 CB 494 THR 569 N 234 0.934E+00 0.109E-01 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3665 TYR 638 CB 494 THR 569 CA 235 0.105E+01 0.101E-01 -0.821E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3666 TYR 638 CB 494 THR 569 CB 238 0.105E+01 -0.888E-02 -0.822E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3667 TYR 638 CB 494 THR 569 CG2 240 0.948E+00 0.763E-02 -0.151E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3668 TYR 638 CB 494 THR 569 HG1 242 0.976E+00 -0.168E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3669 TYR 638 CG 495 ARG 557 C 112 0.987E+00 0.647E-01 -0.933E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3670 TYR 638 CG 495 ARG 557 O 113 0.872E+00 -0.622E-01 -0.205E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3671 TYR 638 CG 495 ALA 558 N 127 0.105E+01 -0.328E-01 -0.796E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3672 TYR 638 CG 495 ALA 558 CA 128 0.996E+00 -0.245E-02 -0.998E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3673 TYR 638 CG 495 ALA 558 C 129 0.961E+00 0.526E-01 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3674 TYR 638 CG 495 ALA 558 O 130 0.865E+00 -0.605E-01 -0.215E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3675 TYR 638 CG 495 ILE 559 C 135 0.956E+00 0.528E-01 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3676 TYR 638 CG 495 ILE 559 O 136 0.912E+00 -0.620E-01 -0.157E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3677 TYR 638 CG 495 GLU 560 N 142 0.935E+00 -0.407E-01 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3678 TYR 638 CG 495 GLU 560 CA 143 0.862E+00 0.350E-02 -0.236E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3679 TYR 638 CG 495 GLU 560 C 144 0.715E+00 0.720E-01 -0.641E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3680 TYR 638 CG 495 GLU 560 O 145 0.657E+00 -0.107E+00 -0.111E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3681 TYR 638 CG 495 GLU 560 CB 146 0.901E+00 0.764E-02 -0.181E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3682 TYR 638 CG 495 ALA 561 N 152 0.671E+00 -0.702E-01 -0.115E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3683 TYR 638 CG 495 ALA 561 CA 153 0.538E+00 -0.776E-02 -0.375E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3684 TYR 638 CG 495 ALA 561 C 154 0.532E+00 0.163E+00 -0.356E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3685 TYR 638 CG 495 ALA 561 O 155 0.448E+00 -0.238E+00 -0.972E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3686 TYR 638 CG 495 ALA 561 CB 156 0.561E+00 -0.581E-01 -0.297E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3687 TYR 638 CG 495 GLN 562 N 158 0.655E+00 -0.704E-01 -0.133E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3688 TYR 638 CG 495 GLN 562 CA 159 0.700E+00 0.589E-02 -0.814E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3689 TYR 638 CG 495 GLN 562 C 160 0.720E+00 0.633E-01 -0.614E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3690 TYR 638 CG 495 GLN 562 O 161 0.736E+00 -0.818E-01 -0.564E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3691 TYR 638 CG 495 GLN 562 CB 162 0.843E+00 -0.364E-02 -0.269E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3692 TYR 638 CG 495 GLN 562 CG 163 0.859E+00 -0.220E-02 -0.241E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3693 TYR 638 CG 495 GLN 562 CD 164 0.101E+01 0.575E-01 -0.831E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3694 TYR 638 CG 495 GLN 562 NE2 166 0.105E+01 -0.715E-01 -0.793E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3695 TYR 638 CG 495 GLN 563 N 170 0.754E+00 -0.536E-01 -0.575E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3696 TYR 638 CG 495 GLN 563 CA 171 0.805E+00 0.456E-02 -0.356E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3697 TYR 638 CG 495 GLN 563 C 172 0.709E+00 0.652E-01 -0.673E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3698 TYR 638 CG 495 GLN 563 O 173 0.761E+00 -0.770E-01 -0.464E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3699 TYR 638 CG 495 GLN 563 CB 174 0.878E+00 -0.340E-02 -0.211E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3700 TYR 638 CG 495 GLN 563 CG 175 0.973E+00 -0.181E-02 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3701 TYR 638 CG 495 HIS 564 N 182 0.588E+00 -0.120E+00 -0.249E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3702 TYR 638 CG 495 HIS 564 CA 183 0.510E+00 0.972E-02 -0.502E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3703 TYR 638 CG 495 HIS 564 C 184 0.503E+00 0.215E+00 -0.483E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3704 TYR 638 CG 495 HIS 564 O 185 0.564E+00 -0.132E+00 -0.272E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3705 TYR 638 CG 495 HIS 564 CB 186 0.390E+00 -0.932E-01 -0.155E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3706 TYR 638 CG 495 HIS 564 CG 187 0.466E+00 0.108E+00 -0.715E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3707 TYR 638 CG 495 HIS 564 ND1 188 0.450E+00 -0.179E+00 -0.107E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3708 TYR 638 CG 495 HIS 564 CD2 189 0.604E+00 -0.640E-01 -0.172E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3709 TYR 638 CG 495 HIS 564 CE1 190 0.574E+00 0.625E-02 -0.231E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3710 TYR 638 CG 495 HIS 564 NE2 191 0.652E+00 -0.180E-01 -0.136E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3711 TYR 638 CG 495 HIS 564 HD1 193 0.377E+00 0.107E+00 -0.985E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3712 TYR 638 CG 495 LEU 565 N 195 0.483E+00 -0.127E+00 -0.749E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3713 TYR 638 CG 495 LEU 565 CA 196 0.544E+00 -0.274E-01 -0.354E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3714 TYR 638 CG 495 LEU 565 C 197 0.690E+00 0.939E-01 -0.787E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3715 TYR 638 CG 495 LEU 565 O 198 0.754E+00 -0.772E-01 -0.487E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3716 TYR 638 CG 495 LEU 565 CB 199 0.571E+00 -0.349E-01 -0.268E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3717 TYR 638 CG 495 LEU 565 CG 200 0.520E+00 0.576E-01 -0.453E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3718 TYR 638 CG 495 LEU 565 CD1 201 0.658E+00 -0.222E-01 -0.118E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3719 TYR 638 CG 495 LEU 565 CD2 202 0.477E+00 -0.453E-01 -0.717E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3720 TYR 638 CG 495 LEU 566 N 204 0.764E+00 -0.480E-01 -0.531E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3721 TYR 638 CG 495 LEU 566 CA 205 0.903E+00 -0.103E-01 -0.178E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3722 TYR 638 CG 495 LEU 566 C 206 0.933E+00 0.553E-01 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3723 TYR 638 CG 495 LEU 566 O 207 0.103E+01 -0.468E-01 -0.777E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3724 TYR 638 CG 495 LEU 566 CB 208 0.985E+00 -0.128E-01 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3725 TYR 638 CG 495 GLN 567 N 213 0.873E+00 -0.415E-01 -0.239E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3726 TYR 638 CG 495 GLN 567 CA 214 0.925E+00 0.362E-02 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3727 TYR 638 CG 495 GLN 567 C 215 0.917E+00 0.416E-01 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3728 TYR 638 CG 495 GLN 567 O 216 0.102E+01 -0.476E-01 -0.796E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3729 TYR 638 CG 495 GLN 567 CB 217 0.882E+00 -0.338E-02 -0.207E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3730 TYR 638 CG 495 GLN 567 CG 218 0.940E+00 -0.191E-02 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3731 TYR 638 CG 495 LEU 568 N 225 0.811E+00 -0.432E-01 -0.372E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3732 TYR 638 CG 495 LEU 568 CA 226 0.824E+00 -0.119E-01 -0.309E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3733 TYR 638 CG 495 LEU 568 C 227 0.939E+00 0.548E-01 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3734 TYR 638 CG 495 LEU 568 O 228 0.103E+01 -0.461E-01 -0.736E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3735 TYR 638 CG 495 LEU 568 CB 229 0.701E+00 -0.229E-01 -0.808E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3736 TYR 638 CG 495 LEU 568 CG 230 0.584E+00 0.443E-01 -0.235E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3737 TYR 638 CG 495 LEU 568 CD1 231 0.477E+00 -0.453E-01 -0.716E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3738 TYR 638 CG 495 LEU 568 CD2 232 0.660E+00 -0.220E-01 -0.115E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3739 TYR 638 CG 495 THR 569 N 234 0.955E+00 -0.228E-01 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3740 TYR 638 CG 495 THR 569 CG2 240 0.101E+01 -0.150E-01 -0.899E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3741 TYR 638 CG 495 THR 569 HG1 242 0.101E+01 0.346E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3742 TYR 638 CD1 496 ARG 557 CA 111 0.974E+00 0.192E-01 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3743 TYR 638 CD1 496 ARG 557 C 112 0.889E+00 -0.123E+00 -0.174E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3744 TYR 638 CD1 496 ARG 557 O 113 0.776E+00 0.123E+00 -0.412E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3745 TYR 638 CD1 496 ARG 557 CB 114 0.100E+01 0.519E-02 -0.961E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3746 TYR 638 CD1 496 ALA 558 N 127 0.962E+00 0.604E-01 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3747 TYR 638 CD1 496 ALA 558 CA 128 0.925E+00 0.444E-02 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3748 TYR 638 CD1 496 ALA 558 C 129 0.901E+00 -0.942E-01 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3749 TYR 638 CD1 496 ALA 558 O 130 0.817E+00 0.108E+00 -0.302E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3750 TYR 638 CD1 496 ILE 559 N 133 0.988E+00 0.646E-01 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3751 TYR 638 CD1 496 ILE 559 CA 134 0.101E+01 0.142E-01 -0.924E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3752 TYR 638 CD1 496 ILE 559 C 135 0.901E+00 -0.939E-01 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3753 TYR 638 CD1 496 ILE 559 O 136 0.871E+00 0.108E+00 -0.206E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3754 TYR 638 CD1 496 GLU 560 N 142 0.862E+00 0.750E-01 -0.257E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3755 TYR 638 CD1 496 GLU 560 CA 143 0.786E+00 -0.665E-02 -0.409E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3756 TYR 638 CD1 496 GLU 560 C 144 0.644E+00 -0.143E+00 -0.119E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3757 TYR 638 CD1 496 GLU 560 O 145 0.599E+00 0.210E+00 -0.191E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3758 TYR 638 CD1 496 GLU 560 CB 146 0.807E+00 -0.149E-01 -0.351E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3759 TYR 638 CD1 496 GLU 560 CG 147 0.956E+00 0.512E-02 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3760 TYR 638 CD1 496 GLU 560 CD 148 0.101E+01 -0.106E+00 -0.814E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3761 TYR 638 CD1 496 GLU 560 OE1 149 0.943E+00 0.127E+00 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3762 TYR 638 CD1 496 ALA 561 N 152 0.596E+00 0.145E+00 -0.230E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3763 TYR 638 CD1 496 ALA 561 CA 153 0.472E+00 0.171E-01 -0.757E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3764 TYR 638 CD1 496 ALA 561 C 154 0.504E+00 -0.298E+00 -0.478E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3765 TYR 638 CD1 496 ALA 561 O 155 0.445E+00 0.392E+00 -0.100E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3766 TYR 638 CD1 496 ALA 561 CB 156 0.490E+00 0.128E+00 -0.622E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3767 TYR 638 CD1 496 GLN 562 N 158 0.634E+00 0.122E+00 -0.160E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3768 TYR 638 CD1 496 GLN 562 CA 159 0.706E+00 -0.938E-02 -0.773E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3769 TYR 638 CD1 496 GLN 562 C 160 0.734E+00 -0.987E-01 -0.544E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3770 TYR 638 CD1 496 GLN 562 O 161 0.772E+00 0.121E+00 -0.423E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3771 TYR 638 CD1 496 GLN 562 CB 162 0.847E+00 0.584E-02 -0.262E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3772 TYR 638 CD1 496 GLN 562 CG 163 0.862E+00 0.355E-02 -0.236E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3773 TYR 638 CD1 496 GLN 562 CD 164 0.101E+01 -0.928E-01 -0.818E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3774 TYR 638 CD1 496 GLN 563 N 170 0.750E+00 0.877E-01 -0.592E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3775 TYR 638 CD1 496 GLN 563 CA 171 0.806E+00 -0.736E-02 -0.352E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3776 TYR 638 CD1 496 GLN 563 C 172 0.723E+00 -0.102E+00 -0.597E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3777 TYR 638 CD1 496 GLN 563 O 173 0.791E+00 0.116E+00 -0.366E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3778 TYR 638 CD1 496 GLN 563 CB 174 0.859E+00 0.571E-02 -0.241E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3779 TYR 638 CD1 496 GLN 563 CG 175 0.960E+00 0.299E-02 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3780 TYR 638 CD1 496 HIS 564 N 182 0.595E+00 0.190E+00 -0.233E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3781 TYR 638 CD1 496 HIS 564 CA 183 0.536E+00 -0.140E-01 -0.382E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3782 TYR 638 CD1 496 HIS 564 C 184 0.565E+00 -0.266E+00 -0.252E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3783 TYR 638 CD1 496 HIS 564 O 185 0.639E+00 0.164E+00 -0.130E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3784 TYR 638 CD1 496 HIS 564 CB 186 0.399E+00 0.142E+00 -0.149E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3785 TYR 638 CD1 496 HIS 564 CG 187 0.432E+00 -0.212E+00 -0.101E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3786 TYR 638 CD1 496 HIS 564 ND1 188 0.382E+00 0.444E+00 -0.193E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3787 TYR 638 CD1 496 HIS 564 CD2 189 0.566E+00 0.119E+00 -0.249E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3788 TYR 638 CD1 496 HIS 564 CE1 190 0.494E+00 -0.143E-01 -0.532E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3789 TYR 638 CD1 496 HIS 564 NE2 191 0.589E+00 0.360E-01 -0.245E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3790 TYR 638 CD1 496 HIS 564 HD1 193 0.296E+00 -0.338E+00 -0.357E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3791 TYR 638 CD1 496 LEU 565 N 195 0.552E+00 0.150E+00 -0.356E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3792 TYR 638 CD1 496 LEU 565 CA 196 0.636E+00 0.316E-01 -0.144E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3793 TYR 638 CD1 496 LEU 565 C 197 0.780E+00 -0.121E+00 -0.379E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3794 TYR 638 CD1 496 LEU 565 O 198 0.857E+00 0.100E+00 -0.227E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3795 TYR 638 CD1 496 LEU 565 CB 199 0.658E+00 0.419E-01 -0.117E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3796 TYR 638 CD1 496 LEU 565 CG 200 0.613E+00 -0.648E-01 -0.178E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3797 TYR 638 CD1 496 LEU 565 CD1 201 0.747E+00 0.281E-01 -0.555E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3798 TYR 638 CD1 496 LEU 565 CD2 202 0.594E+00 0.444E-01 -0.214E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3799 TYR 638 CD1 496 LEU 566 N 204 0.837E+00 0.662E-01 -0.308E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3800 TYR 638 CD1 496 LEU 566 CA 205 0.976E+00 0.147E-01 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3801 TYR 638 CD1 496 LEU 566 C 206 0.101E+01 -0.794E-01 -0.809E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3802 TYR 638 CD1 496 LEU 566 CB 208 0.104E+01 0.191E-01 -0.765E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3803 TYR 638 CD1 496 GLN 567 N 213 0.942E+00 0.596E-01 -0.151E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3804 TYR 638 CD1 496 GLN 567 CA 214 0.996E+00 -0.524E-02 -0.996E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3805 TYR 638 CD1 496 GLN 567 C 215 0.100E+01 -0.587E-01 -0.845E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3806 TYR 638 CD1 496 GLN 567 CB 217 0.937E+00 0.497E-02 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3807 TYR 638 CD1 496 GLN 567 CG 218 0.976E+00 0.292E-02 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3808 TYR 638 CD1 496 LEU 568 N 225 0.907E+00 0.580E-01 -0.190E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3809 TYR 638 CD1 496 LEU 568 CA 226 0.934E+00 0.158E-01 -0.147E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3810 TYR 638 CD1 496 LEU 568 CB 229 0.820E+00 0.278E-01 -0.319E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3811 TYR 638 CD1 496 LEU 568 CG 230 0.695E+00 -0.502E-01 -0.851E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3812 TYR 638 CD1 496 LEU 568 CD1 231 0.600E+00 0.434E-01 -0.201E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3813 TYR 638 CD1 496 LEU 568 CD2 232 0.759E+00 0.273E-01 -0.505E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3814 TYR 638 CD2 497 ARG 557 O 113 0.985E+00 0.831E-01 -0.984E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3815 TYR 638 CD2 497 ALA 558 O 130 0.978E+00 0.807E-01 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3816 TYR 638 CD2 497 ILE 559 C 135 0.104E+01 -0.754E-01 -0.673E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3817 TYR 638 CD2 497 ILE 559 O 136 0.986E+00 0.890E-01 -0.978E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3818 TYR 638 CD2 497 GLU 560 N 142 0.102E+01 0.577E-01 -0.936E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3819 TYR 638 CD2 497 GLU 560 CA 143 0.937E+00 -0.497E-02 -0.144E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3820 TYR 638 CD2 497 GLU 560 C 144 0.791E+00 -0.966E-01 -0.349E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3821 TYR 638 CD2 497 GLU 560 O 145 0.716E+00 0.146E+00 -0.664E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3822 TYR 638 CD2 497 GLU 560 CB 146 0.975E+00 -0.110E-01 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3823 TYR 638 CD2 497 ALA 561 N 152 0.767E+00 0.881E-01 -0.519E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3824 TYR 638 CD2 497 ALA 561 CA 153 0.643E+00 0.856E-02 -0.135E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3825 TYR 638 CD2 497 ALA 561 C 154 0.626E+00 -0.184E+00 -0.140E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3826 TYR 638 CD2 497 ALA 561 O 155 0.528E+00 0.261E+00 -0.399E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3827 TYR 638 CD2 497 ALA 561 CB 156 0.685E+00 0.619E-01 -0.928E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3828 TYR 638 CD2 497 GLN 562 N 158 0.747E+00 0.884E-01 -0.608E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3829 TYR 638 CD2 497 GLN 562 CA 159 0.779E+00 -0.782E-02 -0.432E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3830 TYR 638 CD2 497 GLN 562 C 160 0.774E+00 -0.895E-01 -0.398E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3831 TYR 638 CD2 497 GLN 562 O 161 0.775E+00 0.121E+00 -0.414E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3832 TYR 638 CD2 497 GLN 562 CB 162 0.926E+00 0.506E-02 -0.154E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3833 TYR 638 CD2 497 GLN 562 CG 163 0.957E+00 0.301E-02 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3834 TYR 638 CD2 497 GLN 563 N 170 0.803E+00 0.775E-01 -0.393E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3835 TYR 638 CD2 497 GLN 563 CA 171 0.832E+00 -0.697E-02 -0.292E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3836 TYR 638 CD2 497 GLN 563 C 172 0.717E+00 -0.103E+00 -0.629E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3837 TYR 638 CD2 497 GLN 563 O 173 0.749E+00 0.128E+00 -0.508E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3838 TYR 638 CD2 497 GLN 563 CB 174 0.905E+00 0.524E-02 -0.176E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3839 TYR 638 CD2 497 GLN 563 CG 175 0.981E+00 0.290E-02 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3840 TYR 638 CD2 497 HIS 564 N 182 0.599E+00 0.187E+00 -0.223E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3841 TYR 638 CD2 497 HIS 564 CA 183 0.493E+00 -0.171E-01 -0.608E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3842 TYR 638 CD2 497 HIS 564 C 184 0.474E+00 -0.401E+00 -0.657E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3843 TYR 638 CD2 497 HIS 564 O 185 0.507E+00 0.273E+00 -0.500E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3844 TYR 638 CD2 497 HIS 564 CB 186 0.379E+00 0.163E+00 -0.157E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3845 TYR 638 CD2 497 HIS 564 CG 187 0.460E+00 -0.181E+00 -0.762E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3846 TYR 638 CD2 497 HIS 564 ND1 188 0.457E+00 0.280E+00 -0.990E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3847 TYR 638 CD2 497 HIS 564 CD2 189 0.592E+00 0.108E+00 -0.192E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3848 TYR 638 CD2 497 HIS 564 CE1 190 0.579E+00 -0.994E-02 -0.221E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3849 TYR 638 CD2 497 HIS 564 NE2 191 0.647E+00 0.296E-01 -0.142E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3850 TYR 638 CD2 497 HIS 564 HD1 193 0.394E+00 -0.155E+00 -0.768E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3851 TYR 638 CD2 497 LEU 565 N 195 0.484E+00 0.205E+00 -0.741E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3852 TYR 638 CD2 497 LEU 565 CA 196 0.540E+00 0.450E-01 -0.367E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3853 TYR 638 CD2 497 LEU 565 C 197 0.673E+00 -0.160E+00 -0.910E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3854 TYR 638 CD2 497 LEU 565 O 198 0.721E+00 0.136E+00 -0.638E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3855 TYR 638 CD2 497 LEU 565 CB 199 0.600E+00 0.509E-01 -0.201E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3856 TYR 638 CD2 497 LEU 565 CG 200 0.568E+00 -0.764E-01 -0.276E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3857 TYR 638 CD2 497 LEU 565 CD1 201 0.713E+00 0.307E-01 -0.734E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3858 TYR 638 CD2 497 LEU 565 CD2 202 0.501E+00 0.652E-01 -0.555E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3859 TYR 638 CD2 497 LEU 566 N 204 0.756E+00 0.792E-01 -0.563E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3860 TYR 638 CD2 497 LEU 566 CA 205 0.887E+00 0.171E-01 -0.199E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3861 TYR 638 CD2 497 LEU 566 C 206 0.895E+00 -0.956E-01 -0.167E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3862 TYR 638 CD2 497 LEU 566 O 207 0.979E+00 0.811E-01 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3863 TYR 638 CD2 497 LEU 566 CB 208 0.980E+00 0.209E-01 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3864 TYR 638 CD2 497 GLN 567 N 213 0.825E+00 0.740E-01 -0.335E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3865 TYR 638 CD2 497 GLN 567 CA 214 0.858E+00 -0.662E-02 -0.243E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3866 TYR 638 CD2 497 GLN 567 C 215 0.835E+00 -0.784E-01 -0.253E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3867 TYR 638 CD2 497 GLN 567 O 216 0.932E+00 0.885E-01 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3868 TYR 638 CD2 497 GLN 567 CB 217 0.809E+00 0.633E-02 -0.346E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3869 TYR 638 CD2 497 GLN 567 CG 218 0.881E+00 0.343E-02 -0.208E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3870 TYR 638 CD2 497 GLN 567 CD 219 0.103E+01 -0.899E-01 -0.719E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3871 TYR 638 CD2 497 LEU 568 N 225 0.730E+00 0.844E-01 -0.692E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3872 TYR 638 CD2 497 LEU 568 CA 226 0.732E+00 0.239E-01 -0.627E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3873 TYR 638 CD2 497 LEU 568 C 227 0.854E+00 -0.103E+00 -0.221E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3874 TYR 638 CD2 497 LEU 568 O 228 0.942E+00 0.860E-01 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3875 TYR 638 CD2 497 LEU 568 CB 229 0.609E+00 0.493E-01 -0.185E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3876 TYR 638 CD2 497 LEU 568 CG 230 0.480E+00 -0.113E+00 -0.695E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3877 TYR 638 CD2 497 LEU 568 CD1 231 0.373E+00 0.138E+00 -0.154E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3878 TYR 638 CD2 497 LEU 568 CD2 232 0.538E+00 0.553E-01 -0.376E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3879 TYR 638 CD2 497 THR 569 N 234 0.888E+00 0.415E-01 -0.216E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3880 TYR 638 CD2 497 THR 569 CA 235 0.102E+01 0.370E-01 -0.861E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3881 TYR 638 CD2 497 THR 569 CG2 240 0.982E+00 0.254E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3882 TYR 638 CD2 497 THR 569 HG1 242 0.973E+00 -0.594E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3883 TYR 638 CE1 498 ARG 557 CA 111 0.984E+00 0.188E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3884 TYR 638 CE1 498 ARG 557 C 112 0.917E+00 -0.117E+00 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3885 TYR 638 CE1 498 ARG 557 O 113 0.803E+00 0.115E+00 -0.335E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3886 TYR 638 CE1 498 ARG 557 CB 114 0.101E+01 0.510E-02 -0.913E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3887 TYR 638 CE1 498 ALA 558 N 127 0.100E+01 0.563E-01 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3888 TYR 638 CE1 498 ALA 558 CA 128 0.985E+00 0.401E-02 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3889 TYR 638 CE1 498 ALA 558 C 129 0.960E+00 -0.848E-01 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3890 TYR 638 CE1 498 ALA 558 O 130 0.885E+00 0.938E-01 -0.187E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3891 TYR 638 CE1 498 ILE 559 N 133 0.104E+01 0.600E-01 -0.861E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3892 TYR 638 CE1 498 ILE 559 C 135 0.932E+00 -0.886E-01 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3893 TYR 638 CE1 498 ILE 559 O 136 0.903E+00 0.102E+00 -0.166E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3894 TYR 638 CE1 498 GLU 560 N 142 0.878E+00 0.724E-01 -0.231E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3895 TYR 638 CE1 498 GLU 560 CA 143 0.784E+00 -0.664E-02 -0.415E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3896 TYR 638 CE1 498 GLU 560 C 144 0.652E+00 -0.139E+00 -0.110E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3897 TYR 638 CE1 498 GLU 560 O 145 0.600E+00 0.209E+00 -0.190E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3898 TYR 638 CE1 498 GLU 560 CB 146 0.786E+00 -0.155E-01 -0.411E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3899 TYR 638 CE1 498 GLU 560 CG 147 0.928E+00 0.533E-02 -0.152E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3900 TYR 638 CE1 498 GLU 560 CD 148 0.968E+00 -0.112E+00 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3901 TYR 638 CE1 498 GLU 560 OE1 149 0.894E+00 0.137E+00 -0.177E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3902 TYR 638 CE1 498 ALA 561 N 152 0.625E+00 0.131E+00 -0.175E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3903 TYR 638 CE1 498 ALA 561 CA 153 0.522E+00 0.134E-01 -0.443E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3904 TYR 638 CE1 498 ALA 561 C 154 0.571E+00 -0.223E+00 -0.237E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3905 TYR 638 CE1 498 ALA 561 O 155 0.517E+00 0.272E+00 -0.447E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3906 TYR 638 CE1 498 ALA 561 CB 156 0.561E+00 0.937E-01 -0.298E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3907 TYR 638 CE1 498 GLN 562 N 158 0.703E+00 0.984E-01 -0.867E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3908 TYR 638 CE1 498 GLN 562 CA 159 0.784E+00 -0.769E-02 -0.416E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3909 TYR 638 CE1 498 GLN 562 C 160 0.796E+00 -0.849E-01 -0.338E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3910 TYR 638 CE1 498 GLN 562 O 161 0.838E+00 0.105E+00 -0.260E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3911 TYR 638 CE1 498 GLN 562 CB 162 0.928E+00 0.502E-02 -0.152E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3912 TYR 638 CE1 498 GLN 562 CG 163 0.956E+00 0.299E-02 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3913 TYR 638 CE1 498 GLN 563 N 170 0.790E+00 0.793E-01 -0.433E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3914 TYR 638 CE1 498 GLN 563 CA 171 0.829E+00 -0.698E-02 -0.298E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3915 TYR 638 CE1 498 GLN 563 C 172 0.740E+00 -0.968E-01 -0.522E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3916 TYR 638 CE1 498 GLN 563 O 173 0.805E+00 0.112E+00 -0.329E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3917 TYR 638 CE1 498 GLN 563 CB 174 0.862E+00 0.565E-02 -0.236E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3918 TYR 638 CE1 498 GLN 563 CG 175 0.950E+00 0.302E-02 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3919 TYR 638 CE1 498 HIS 564 N 182 0.607E+00 0.181E+00 -0.207E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3920 TYR 638 CE1 498 HIS 564 CA 183 0.540E+00 -0.137E-01 -0.366E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3921 TYR 638 CE1 498 HIS 564 C 184 0.595E+00 -0.237E+00 -0.188E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3922 TYR 638 CE1 498 HIS 564 O 185 0.660E+00 0.153E+00 -0.108E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3923 TYR 638 CE1 498 HIS 564 CB 186 0.393E+00 0.148E+00 -0.154E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3924 TYR 638 CE1 498 HIS 564 CG 187 0.383E+00 -0.289E+00 -0.140E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3925 TYR 638 CE1 498 HIS 564 ND1 188 0.303E+00 0.833E+00 0.997E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3926 TYR 638 CE1 498 HIS 564 CD2 189 0.507E+00 0.153E+00 -0.461E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3927 TYR 638 CE1 498 HIS 564 CE1 190 0.400E+00 -0.240E-01 -0.131E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3928 TYR 638 CE1 498 HIS 564 NE2 191 0.508E+00 0.499E-01 -0.566E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3929 TYR 638 CE1 498 HIS 564 HD1 193 0.210E+00 -0.926E+00 0.159E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3930 TYR 638 CE1 498 LEU 565 N 195 0.611E+00 0.120E+00 -0.199E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3931 TYR 638 CE1 498 LEU 565 CA 196 0.710E+00 0.252E-01 -0.749E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3932 TYR 638 CE1 498 LEU 565 C 197 0.845E+00 -0.105E+00 -0.237E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3933 TYR 638 CE1 498 LEU 565 O 198 0.920E+00 0.887E-01 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3934 TYR 638 CE1 498 LEU 565 CB 199 0.754E+00 0.321E-01 -0.525E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3935 TYR 638 CE1 498 LEU 565 CG 200 0.727E+00 -0.458E-01 -0.650E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3936 TYR 638 CE1 498 LEU 565 CD1 201 0.868E+00 0.215E-01 -0.227E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3937 TYR 638 CE1 498 LEU 565 CD2 202 0.706E+00 0.310E-01 -0.774E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3938 TYR 638 CE1 498 LEU 566 N 204 0.894E+00 0.591E-01 -0.208E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3939 TYR 638 CE1 498 LEU 566 CA 205 0.103E+01 0.136E-01 -0.832E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3940 TYR 638 CE1 498 LEU 566 C 206 0.105E+01 -0.752E-01 -0.659E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3941 TYR 638 CE1 498 GLN 567 N 213 0.963E+00 0.573E-01 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3942 TYR 638 CE1 498 GLN 567 CA 214 0.100E+01 -0.517E-02 -0.967E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3943 TYR 638 CE1 498 GLN 567 C 215 0.101E+01 -0.575E-01 -0.798E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3944 TYR 638 CE1 498 GLN 567 CB 217 0.922E+00 0.506E-02 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3945 TYR 638 CE1 498 GLN 567 CG 218 0.954E+00 0.301E-02 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3946 TYR 638 CE1 498 LEU 568 N 225 0.929E+00 0.556E-01 -0.165E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3947 TYR 638 CE1 498 LEU 568 CA 226 0.959E+00 0.151E-01 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3948 TYR 638 CE1 498 LEU 568 CB 229 0.854E+00 0.258E-01 -0.249E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3949 TYR 638 CE1 498 LEU 568 CG 230 0.716E+00 -0.471E-01 -0.712E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3950 TYR 638 CE1 498 LEU 568 CD1 231 0.636E+00 0.382E-01 -0.143E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3951 TYR 638 CE1 498 LEU 568 CD2 232 0.755E+00 0.274E-01 -0.521E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3952 TYR 638 CE2 499 ARG 557 O 113 0.101E+01 0.801E-01 -0.867E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3953 TYR 638 CE2 499 ALA 558 O 130 0.104E+01 0.738E-01 -0.732E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3954 TYR 638 CE2 499 ILE 559 O 136 0.101E+01 0.852E-01 -0.835E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3955 TYR 638 CE2 499 GLU 560 N 142 0.103E+01 0.565E-01 -0.874E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3956 TYR 638 CE2 499 GLU 560 CA 143 0.933E+00 -0.498E-02 -0.147E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3957 TYR 638 CE2 499 GLU 560 C 144 0.796E+00 -0.951E-01 -0.337E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3958 TYR 638 CE2 499 GLU 560 O 145 0.714E+00 0.146E+00 -0.674E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3959 TYR 638 CE2 499 GLU 560 CB 146 0.955E+00 -0.112E-01 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3960 TYR 638 CE2 499 ALA 561 N 152 0.788E+00 0.834E-01 -0.441E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3961 TYR 638 CE2 499 ALA 561 CA 153 0.680E+00 0.761E-02 -0.971E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3962 TYR 638 CE2 499 ALA 561 C 154 0.680E+00 -0.155E+00 -0.857E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3963 TYR 638 CE2 499 ALA 561 O 155 0.588E+00 0.204E+00 -0.213E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3964 TYR 638 CE2 499 ALA 561 CB 156 0.737E+00 0.535E-01 -0.601E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3965 TYR 638 CE2 499 GLN 562 N 158 0.806E+00 0.767E-01 -0.386E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3966 TYR 638 CE2 499 GLN 562 CA 159 0.849E+00 -0.670E-02 -0.258E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3967 TYR 638 CE2 499 GLN 562 C 160 0.831E+00 -0.787E-01 -0.261E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3968 TYR 638 CE2 499 GLN 562 O 161 0.838E+00 0.104E+00 -0.259E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3969 TYR 638 CE2 499 GLN 562 CB 162 0.999E+00 0.448E-02 -0.976E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3970 TYR 638 CE2 499 GLN 562 CG 163 0.104E+01 0.263E-02 -0.757E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3971 TYR 638 CE2 499 GLN 563 N 170 0.839E+00 0.715E-01 -0.303E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3972 TYR 638 CE2 499 GLN 563 CA 171 0.851E+00 -0.667E-02 -0.254E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3973 TYR 638 CE2 499 GLN 563 C 172 0.730E+00 -0.992E-01 -0.563E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3974 TYR 638 CE2 499 GLN 563 O 173 0.761E+00 0.124E+00 -0.464E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3975 TYR 638 CE2 499 GLN 563 CB 174 0.905E+00 0.522E-02 -0.177E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3976 TYR 638 CE2 499 GLN 563 CG 175 0.968E+00 0.294E-02 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3977 TYR 638 CE2 499 HIS 564 N 182 0.608E+00 0.180E+00 -0.204E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3978 TYR 638 CE2 499 HIS 564 CA 183 0.493E+00 -0.170E-01 -0.603E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3979 TYR 638 CE2 499 HIS 564 C 184 0.506E+00 -0.341E+00 -0.466E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3980 TYR 638 CE2 499 HIS 564 O 185 0.529E+00 0.246E+00 -0.392E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3981 TYR 638 CE2 499 HIS 564 CB 186 0.368E+00 0.176E+00 -0.148E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3982 TYR 638 CE2 499 HIS 564 CG 187 0.410E+00 -0.241E+00 -0.123E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3983 TYR 638 CE2 499 HIS 564 ND1 188 0.390E+00 0.418E+00 -0.186E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3984 TYR 638 CE2 499 HIS 564 CD2 189 0.532E+00 0.137E+00 -0.356E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3985 TYR 638 CE2 499 HIS 564 CE1 190 0.497E+00 -0.140E-01 -0.512E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3986 TYR 638 CE2 499 HIS 564 NE2 191 0.569E+00 0.386E-01 -0.299E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3987 TYR 638 CE2 499 HIS 564 HD1 193 0.330E+00 -0.248E+00 -0.207E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3988 TYR 638 CE2 499 LEU 565 N 195 0.548E+00 0.153E+00 -0.374E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3989 TYR 638 CE2 499 LEU 565 CA 196 0.625E+00 0.326E-01 -0.159E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3990 TYR 638 CE2 499 LEU 565 C 197 0.745E+00 -0.131E+00 -0.499E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3991 TYR 638 CE2 499 LEU 565 O 198 0.793E+00 0.114E+00 -0.362E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3992 TYR 638 CE2 499 LEU 565 CB 199 0.704E+00 0.366E-01 -0.792E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3993 TYR 638 CE2 499 LEU 565 CG 200 0.691E+00 -0.506E-01 -0.883E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3994 TYR 638 CE2 499 LEU 565 CD1 201 0.840E+00 0.227E-01 -0.277E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3995 TYR 638 CE2 499 LEU 565 CD2 202 0.631E+00 0.388E-01 -0.150E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3996 TYR 638 CE2 499 LEU 566 N 204 0.817E+00 0.686E-01 -0.355E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3997 TYR 638 CE2 499 LEU 566 CA 205 0.940E+00 0.155E-01 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3998 TYR 638 CE2 499 LEU 566 C 206 0.932E+00 -0.892E-01 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
3999 TYR 638 CE2 499 LEU 566 O 207 0.102E+01 0.761E-01 -0.813E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4000 TYR 638 CE2 499 LEU 566 CB 208 0.102E+01 0.195E-01 -0.841E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4001 TYR 638 CE2 499 GLN 567 N 213 0.845E+00 0.706E-01 -0.290E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4002 TYR 638 CE2 499 GLN 567 CA 214 0.860E+00 -0.656E-02 -0.239E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4003 TYR 638 CE2 499 GLN 567 C 215 0.844E+00 -0.767E-01 -0.238E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4004 TYR 638 CE2 499 GLN 567 O 216 0.936E+00 0.874E-01 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4005 TYR 638 CE2 499 GLN 567 CB 217 0.787E+00 0.660E-02 -0.406E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4006 TYR 638 CE2 499 GLN 567 CG 218 0.852E+00 0.360E-02 -0.254E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4007 TYR 638 CE2 499 GLN 567 CD 219 0.100E+01 -0.930E-01 -0.844E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4008 TYR 638 CE2 499 LEU 568 N 225 0.754E+00 0.792E-01 -0.573E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4009 TYR 638 CE2 499 LEU 568 CA 226 0.761E+00 0.221E-01 -0.496E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4010 TYR 638 CE2 499 LEU 568 C 227 0.897E+00 -0.949E-01 -0.166E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4011 TYR 638 CE2 499 LEU 568 O 228 0.978E+00 0.807E-01 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4012 TYR 638 CE2 499 LEU 568 CB 229 0.654E+00 0.423E-01 -0.122E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4013 TYR 638 CE2 499 LEU 568 CG 230 0.508E+00 -0.979E-01 -0.513E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4014 TYR 638 CE2 499 LEU 568 CD1 231 0.427E+00 0.959E-01 -0.119E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4015 TYR 638 CE2 499 LEU 568 CD2 232 0.529E+00 0.570E-01 -0.411E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4016 TYR 638 CE2 499 THR 569 N 234 0.943E+00 0.374E-01 -0.150E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4017 TYR 638 CE2 499 THR 569 HG1 242 0.104E+01 -0.539E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4018 TYR 638 CZ 500 ARG 557 C 112 0.104E+01 0.110E+00 -0.692E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4019 TYR 638 CZ 500 ARG 557 O 113 0.921E+00 -0.104E+00 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4020 TYR 638 CZ 500 ALA 558 O 130 0.992E+00 -0.890E-01 -0.946E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4021 TYR 638 CZ 500 ILE 559 C 135 0.101E+01 0.882E-01 -0.789E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4022 TYR 638 CZ 500 ILE 559 O 136 0.973E+00 -0.102E+00 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4023 TYR 638 CZ 500 GLU 560 N 142 0.965E+00 -0.707E-01 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4024 TYR 638 CZ 500 GLU 560 CA 143 0.860E+00 0.641E-02 -0.239E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4025 TYR 638 CZ 500 GLU 560 C 144 0.731E+00 0.126E+00 -0.562E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4026 TYR 638 CZ 500 GLU 560 O 145 0.659E+00 -0.194E+00 -0.108E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4027 TYR 638 CZ 500 GLU 560 CB 146 0.864E+00 0.149E-01 -0.232E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4028 TYR 638 CZ 500 GLU 560 CG 147 0.100E+01 -0.536E-02 -0.956E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4029 TYR 638 CZ 500 GLU 560 CD 148 0.104E+01 0.114E+00 -0.671E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4030 TYR 638 CZ 500 GLU 560 OE1 149 0.971E+00 -0.136E+00 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4031 TYR 638 CZ 500 ALA 561 N 152 0.722E+00 -0.111E+00 -0.741E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4032 TYR 638 CZ 500 ALA 561 CA 153 0.625E+00 -0.102E-01 -0.159E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4033 TYR 638 CZ 500 ALA 561 C 154 0.656E+00 0.188E+00 -0.107E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4034 TYR 638 CZ 500 ALA 561 O 155 0.583E+00 -0.235E+00 -0.223E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4035 TYR 638 CZ 500 ALA 561 CB 156 0.681E+00 -0.705E-01 -0.960E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4036 TYR 638 CZ 500 GLN 562 N 158 0.786E+00 -0.907E-01 -0.449E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4037 TYR 638 CZ 500 GLN 562 CA 159 0.851E+00 0.755E-02 -0.255E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4038 TYR 638 CZ 500 GLN 562 C 160 0.841E+00 0.872E-01 -0.242E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4039 TYR 638 CZ 500 GLN 562 O 161 0.869E+00 -0.111E+00 -0.209E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4040 TYR 638 CZ 500 GLN 562 CB 162 0.100E+01 -0.507E-02 -0.974E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4041 TYR 638 CZ 500 GLN 562 CG 163 0.104E+01 -0.299E-02 -0.762E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4042 TYR 638 CZ 500 GLN 563 N 170 0.833E+00 -0.818E-01 -0.315E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4043 TYR 638 CZ 500 GLN 563 CA 171 0.851E+00 0.755E-02 -0.254E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4044 TYR 638 CZ 500 GLN 563 C 172 0.743E+00 0.109E+00 -0.506E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4045 TYR 638 CZ 500 GLN 563 O 173 0.791E+00 -0.131E+00 -0.367E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4046 TYR 638 CZ 500 GLN 563 CB 174 0.885E+00 -0.612E-02 -0.202E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4047 TYR 638 CZ 500 GLN 563 CG 175 0.955E+00 -0.340E-02 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4048 TYR 638 CZ 500 HIS 564 N 182 0.614E+00 -0.200E+00 -0.193E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4049 TYR 638 CZ 500 HIS 564 CA 183 0.520E+00 0.170E-01 -0.454E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4050 TYR 638 CZ 500 HIS 564 C 184 0.568E+00 0.297E+00 -0.245E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4051 TYR 638 CZ 500 HIS 564 O 185 0.610E+00 -0.203E+00 -0.172E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4052 TYR 638 CZ 500 HIS 564 CB 186 0.377E+00 -0.186E+00 -0.157E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4053 TYR 638 CZ 500 HIS 564 CG 187 0.370E+00 0.357E+00 -0.134E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4054 TYR 638 CZ 500 HIS 564 ND1 188 0.308E+00 -0.903E+00 0.726E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4055 TYR 638 CZ 500 HIS 564 CD2 189 0.488E+00 -0.189E+00 -0.564E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4056 TYR 638 CZ 500 HIS 564 CE1 190 0.402E+00 0.268E-01 -0.129E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4057 TYR 638 CZ 500 HIS 564 NE2 191 0.497E+00 -0.596E-01 -0.640E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4058 TYR 638 CZ 500 HIS 564 HD1 193 0.233E+00 0.772E+00 -0.403E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4059 TYR 638 CZ 500 LEU 565 N 195 0.609E+00 -0.137E+00 -0.203E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4060 TYR 638 CZ 500 LEU 565 CA 196 0.705E+00 -0.289E-01 -0.779E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4061 TYR 638 CZ 500 LEU 565 C 197 0.829E+00 0.122E+00 -0.264E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4062 TYR 638 CZ 500 LEU 565 O 198 0.891E+00 -0.106E+00 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4063 TYR 638 CZ 500 LEU 565 CB 199 0.774E+00 -0.347E-01 -0.449E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4064 TYR 638 CZ 500 LEU 565 CG 200 0.761E+00 0.477E-01 -0.497E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4065 TYR 638 CZ 500 LEU 565 CD1 201 0.909E+00 -0.226E-01 -0.172E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4066 TYR 638 CZ 500 LEU 565 CD2 202 0.722E+00 -0.337E-01 -0.680E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4067 TYR 638 CZ 500 LEU 566 N 204 0.885E+00 -0.680E-01 -0.220E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4068 TYR 638 CZ 500 LEU 566 CA 205 0.101E+01 -0.158E-01 -0.918E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4069 TYR 638 CZ 500 LEU 566 C 206 0.101E+01 0.895E-01 -0.815E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4070 TYR 638 CZ 500 GLN 567 N 213 0.917E+00 -0.700E-01 -0.178E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4071 TYR 638 CZ 500 GLN 567 CA 214 0.937E+00 0.647E-02 -0.144E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4072 TYR 638 CZ 500 GLN 567 C 215 0.938E+00 0.731E-01 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4073 TYR 638 CZ 500 GLN 567 O 216 0.104E+01 -0.851E-01 -0.733E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4074 TYR 638 CZ 500 GLN 567 CB 217 0.851E+00 -0.654E-02 -0.256E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4075 TYR 638 CZ 500 GLN 567 CG 218 0.893E+00 -0.377E-02 -0.191E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4076 TYR 638 CZ 500 GLN 567 CD 219 0.105E+01 0.992E-01 -0.661E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4077 TYR 638 CZ 500 LEU 568 N 225 0.858E+00 -0.714E-01 -0.264E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4078 TYR 638 CZ 500 LEU 568 CA 226 0.880E+00 -0.195E-01 -0.209E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4079 TYR 638 CZ 500 LEU 568 C 227 0.102E+01 0.884E-01 -0.774E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4080 TYR 638 CZ 500 LEU 568 CB 229 0.780E+00 -0.342E-01 -0.428E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4081 TYR 638 CZ 500 LEU 568 CG 230 0.634E+00 0.680E-01 -0.146E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4082 TYR 638 CZ 500 LEU 568 CD1 231 0.563E+00 -0.563E-01 -0.292E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4083 TYR 638 CZ 500 LEU 568 CD2 232 0.651E+00 -0.413E-01 -0.125E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4084 TYR 638 OH 501 ARG 557 O 113 0.959E+00 0.199E+00 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4085 TYR 638 OH 501 ILE 559 O 136 0.101E+01 0.197E+00 -0.950E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4086 TYR 638 OH 501 GLU 560 N 142 0.990E+00 0.139E+00 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4087 TYR 638 OH 501 GLU 560 CA 143 0.872E+00 -0.128E-01 -0.254E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4088 TYR 638 OH 501 GLU 560 C 144 0.757E+00 -0.241E+00 -0.526E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4089 TYR 638 OH 501 GLU 560 O 145 0.683E+00 0.369E+00 -0.996E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4090 TYR 638 OH 501 GLU 560 CB 146 0.859E+00 -0.308E-01 -0.278E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4091 TYR 638 OH 501 GLU 560 CG 147 0.987E+00 0.112E-01 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4092 TYR 638 OH 501 GLU 560 CD 148 0.101E+01 -0.243E+00 -0.923E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4093 TYR 638 OH 501 GLU 560 OE1 149 0.936E+00 0.295E+00 -0.151E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4094 TYR 638 OH 501 ALA 561 N 152 0.766E+00 0.203E+00 -0.598E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4095 TYR 638 OH 501 ALA 561 CA 153 0.691E+00 0.171E-01 -0.103E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4096 TYR 638 OH 501 ALA 561 C 154 0.733E+00 -0.310E+00 -0.636E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4097 TYR 638 OH 501 ALA 561 O 155 0.669E+00 0.360E+00 -0.113E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4098 TYR 638 OH 501 ALA 561 CB 156 0.759E+00 0.117E+00 -0.586E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4099 TYR 638 OH 501 GLN 562 N 158 0.861E+00 0.158E+00 -0.299E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4100 TYR 638 OH 501 GLN 562 CA 159 0.933E+00 -0.133E-01 -0.170E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4101 TYR 638 OH 501 GLN 562 C 160 0.911E+00 -0.156E+00 -0.174E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4102 TYR 638 OH 501 GLN 562 O 161 0.943E+00 0.200E+00 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4103 TYR 638 OH 501 GLN 563 N 170 0.885E+00 0.151E+00 -0.253E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4104 TYR 638 OH 501 GLN 563 CA 171 0.888E+00 -0.144E-01 -0.229E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4105 TYR 638 OH 501 GLN 563 C 172 0.780E+00 -0.203E+00 -0.441E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4106 TYR 638 OH 501 GLN 563 O 173 0.824E+00 0.249E+00 -0.325E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4107 TYR 638 OH 501 GLN 563 CB 174 0.901E+00 0.122E-01 -0.210E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4108 TYR 638 OH 501 GLN 563 CG 175 0.956E+00 0.693E-02 -0.147E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4109 TYR 638 OH 501 HIS 564 N 182 0.653E+00 0.359E+00 -0.155E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4110 TYR 638 OH 501 HIS 564 CA 183 0.561E+00 -0.291E-01 -0.346E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4111 TYR 638 OH 501 HIS 564 C 184 0.632E+00 -0.482E+00 -0.154E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4112 TYR 638 OH 501 HIS 564 O 185 0.666E+00 0.347E+00 -0.117E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4113 TYR 638 OH 501 HIS 564 CB 186 0.426E+00 0.277E+00 -0.153E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4114 TYR 638 OH 501 HIS 564 CG 187 0.374E+00 -0.710E+00 -0.212E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4115 TYR 638 OH 501 HIS 564 ND1 188 0.293E+00 0.212E+01 0.106E+01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4116 TYR 638 OH 501 HIS 564 CD2 189 0.463E+00 0.441E+00 -0.899E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4117 TYR 638 OH 501 HIS 564 CE1 190 0.348E+00 -0.806E-01 -0.201E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4118 TYR 638 OH 501 HIS 564 NE2 191 0.444E+00 0.160E+00 -0.138E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4119 TYR 638 OH 501 HIS 564 HD1 193 0.241E+00 -0.142E+01 -0.893E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4120 TYR 638 OH 501 LEU 565 N 195 0.693E+00 0.215E+00 -0.109E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4121 TYR 638 OH 501 LEU 565 CA 196 0.801E+00 0.468E-01 -0.424E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4122 TYR 638 OH 501 LEU 565 C 197 0.912E+00 -0.213E+00 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4123 TYR 638 OH 501 LEU 565 O 198 0.973E+00 0.188E+00 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4124 TYR 638 OH 501 LEU 565 CB 199 0.881E+00 0.567E-01 -0.239E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4125 TYR 638 OH 501 LEU 565 CG 200 0.882E+00 -0.755E-01 -0.238E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4126 TYR 638 OH 501 LEU 565 CD1 201 0.103E+01 0.380E-01 -0.929E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4127 TYR 638 OH 501 LEU 565 CD2 202 0.848E+00 0.516E-01 -0.302E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4128 TYR 638 OH 501 LEU 566 N 204 0.958E+00 0.123E+00 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4129 TYR 638 OH 501 GLN 567 N 213 0.957E+00 0.134E+00 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4130 TYR 638 OH 501 GLN 567 CA 214 0.962E+00 -0.127E-01 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4131 TYR 638 OH 501 GLN 567 C 215 0.971E+00 -0.142E+00 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4132 TYR 638 OH 501 GLN 567 CB 217 0.858E+00 0.132E-01 -0.282E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4133 TYR 638 OH 501 GLN 567 CG 218 0.888E+00 0.778E-02 -0.229E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4134 TYR 638 OH 501 GLN 567 CD 219 0.104E+01 -0.205E+00 -0.801E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4135 TYR 638 OH 501 LEU 568 N 225 0.907E+00 0.134E+00 -0.219E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4136 TYR 638 OH 501 LEU 568 CA 226 0.935E+00 0.362E-01 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4137 TYR 638 OH 501 LEU 568 CB 229 0.850E+00 0.602E-01 -0.297E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4138 TYR 638 OH 501 LEU 568 CG 230 0.698E+00 -0.114E+00 -0.961E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4139 TYR 638 OH 501 LEU 568 CD1 231 0.648E+00 0.851E-01 -0.150E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4140 TYR 638 OH 501 LEU 568 CD2 232 0.690E+00 0.752E-01 -0.104E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4141 TYR 638 HH 503 ARG 557 C 112 0.101E+01 0.181E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4142 TYR 638 HH 503 ARG 557 O 113 0.904E+00 -0.171E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4143 TYR 638 HH 503 ALA 558 O 130 0.103E+01 -0.134E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4144 TYR 638 HH 503 ILE 559 C 135 0.102E+01 0.141E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4145 TYR 638 HH 503 ILE 559 O 136 0.987E+00 -0.160E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4146 TYR 638 HH 503 GLU 560 N 142 0.945E+00 -0.117E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4147 TYR 638 HH 503 GLU 560 CA 143 0.826E+00 0.110E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4148 TYR 638 HH 503 GLU 560 C 144 0.720E+00 0.207E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4149 TYR 638 HH 503 GLU 560 O 145 0.656E+00 -0.314E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4150 TYR 638 HH 503 GLU 560 CB 146 0.800E+00 0.273E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4151 TYR 638 HH 503 GLU 560 CG 147 0.922E+00 -0.975E-02 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4152 TYR 638 HH 503 GLU 560 CD 148 0.938E+00 0.214E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4153 TYR 638 HH 503 GLU 560 OE1 149 0.857E+00 -0.267E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4154 TYR 638 HH 503 ALA 561 N 152 0.729E+00 -0.174E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4155 TYR 638 HH 503 ALA 561 CA 153 0.665E+00 -0.144E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4156 TYR 638 HH 503 ALA 561 C 154 0.726E+00 0.248E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4157 TYR 638 HH 503 ALA 561 O 155 0.676E+00 -0.277E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4158 TYR 638 HH 503 ALA 561 CB 156 0.731E+00 -0.986E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4159 TYR 638 HH 503 GLN 562 N 158 0.852E+00 -0.126E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4160 TYR 638 HH 503 GLN 562 CA 159 0.936E+00 0.104E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4161 TYR 638 HH 503 GLN 562 C 160 0.921E+00 0.121E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4162 TYR 638 HH 503 GLN 562 O 161 0.964E+00 -0.151E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4163 TYR 638 HH 503 GLN 563 N 170 0.885E+00 -0.119E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4164 TYR 638 HH 503 GLN 563 CA 171 0.892E+00 0.112E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4165 TYR 638 HH 503 GLN 563 C 172 0.796E+00 0.154E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4166 TYR 638 HH 503 GLN 563 O 173 0.851E+00 -0.185E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4167 TYR 638 HH 503 GLN 563 CB 174 0.892E+00 -0.968E-02 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4168 TYR 638 HH 503 GLN 563 CG 175 0.952E+00 -0.546E-02 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4169 TYR 638 HH 503 HIS 564 N 182 0.669E+00 -0.269E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4170 TYR 638 HH 503 HIS 564 CA 183 0.594E+00 0.201E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4171 TYR 638 HH 503 HIS 564 C 184 0.681E+00 0.325E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4172 TYR 638 HH 503 HIS 564 O 185 0.725E+00 -0.230E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4173 TYR 638 HH 503 HIS 564 CB 186 0.457E+00 -0.181E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4174 TYR 638 HH 503 HIS 564 CG 187 0.380E+00 0.535E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4175 TYR 638 HH 503 HIS 564 ND1 188 0.274E+00 -0.203E+01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4176 TYR 638 HH 503 HIS 564 CD2 189 0.457E+00 -0.356E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4177 TYR 638 HH 503 HIS 564 CE1 190 0.303E+00 0.929E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4178 TYR 638 HH 503 HIS 564 NE2 191 0.415E+00 -0.150E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4179 TYR 638 HH 503 HIS 564 HD1 193 0.222E+00 0.142E+01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4180 TYR 638 HH 503 LEU 565 N 195 0.738E+00 -0.150E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4181 TYR 638 HH 503 LEU 565 CA 196 0.853E+00 -0.329E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4182 TYR 638 HH 503 LEU 565 C 197 0.966E+00 0.153E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4183 TYR 638 HH 503 LEU 565 O 198 0.104E+01 -0.135E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4184 TYR 638 HH 503 LEU 565 CB 199 0.926E+00 -0.411E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4185 TYR 638 HH 503 LEU 565 CG 200 0.927E+00 0.547E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4186 TYR 638 HH 503 LEU 565 CD2 202 0.904E+00 -0.364E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4187 TYR 638 HH 503 LEU 566 N 204 0.100E+01 -0.898E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4188 TYR 638 HH 503 GLN 567 N 213 0.101E+01 -0.971E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4189 TYR 638 HH 503 GLN 567 CA 214 0.102E+01 0.914E-02 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4190 TYR 638 HH 503 GLN 567 C 215 0.104E+01 0.101E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4191 TYR 638 HH 503 GLN 567 CB 217 0.910E+00 -0.938E-02 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4192 TYR 638 HH 503 GLN 567 CG 218 0.926E+00 -0.571E-02 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4193 TYR 638 HH 503 LEU 568 N 225 0.978E+00 -0.930E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4194 TYR 638 HH 503 LEU 568 CA 226 0.101E+01 -0.251E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4195 TYR 638 HH 503 LEU 568 CB 229 0.933E+00 -0.406E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4196 TYR 638 HH 503 LEU 568 CG 230 0.782E+00 0.726E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4197 TYR 638 HH 503 LEU 568 CD1 231 0.734E+00 -0.523E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4198 TYR 638 HH 503 LEU 568 CD2 232 0.777E+00 -0.471E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4199 THR 639 N 504 ARG 557 O 113 0.996E+00 0.110E+00 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4200 THR 639 N 504 ALA 558 CA 128 0.100E+01 0.525E-02 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4201 THR 639 N 504 ALA 558 C 129 0.998E+00 -0.108E+00 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4202 THR 639 N 504 ALA 558 O 130 0.898E+00 0.123E+00 -0.209E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4203 THR 639 N 504 GLU 560 C 144 0.961E+00 -0.940E-01 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4204 THR 639 N 504 GLU 560 O 145 0.943E+00 0.122E+00 -0.156E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4205 THR 639 N 504 ALA 561 N 152 0.869E+00 0.950E-01 -0.301E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4206 THR 639 N 504 ALA 561 CA 153 0.727E+00 0.901E-02 -0.806E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4207 THR 639 N 504 ALA 561 C 154 0.693E+00 -0.201E+00 -0.947E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4208 THR 639 N 504 ALA 561 O 155 0.645E+00 0.226E+00 -0.151E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4209 THR 639 N 504 ALA 561 CB 156 0.663E+00 0.883E-01 -0.138E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4210 THR 639 N 504 GLN 562 N 158 0.766E+00 0.113E+00 -0.641E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4211 THR 639 N 504 GLN 562 CA 159 0.779E+00 -0.105E-01 -0.532E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4212 THR 639 N 504 GLN 562 C 160 0.860E+00 -0.100E+00 -0.262E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4213 THR 639 N 504 GLN 562 O 161 0.863E+00 0.134E+00 -0.265E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4214 THR 639 N 504 GLN 562 CB 162 0.873E+00 0.744E-02 -0.269E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4215 THR 639 N 504 GLN 562 CG 163 0.817E+00 0.520E-02 -0.400E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4216 THR 639 N 504 GLN 562 CD 164 0.934E+00 -0.140E+00 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4217 THR 639 N 504 GLN 562 OE1 165 0.105E+01 0.111E+00 -0.832E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4218 THR 639 N 504 GLN 562 NE2 166 0.918E+00 0.190E+00 -0.217E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4219 THR 639 N 504 GLN 563 N 170 0.948E+00 0.790E-01 -0.179E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4220 THR 639 N 504 GLN 563 CA 171 0.104E+01 -0.656E-02 -0.932E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4221 THR 639 N 504 GLN 563 C 172 0.984E+00 -0.808E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4222 THR 639 N 504 GLN 563 O 173 0.104E+01 0.101E+00 -0.884E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4223 THR 639 N 504 HIS 564 N 182 0.896E+00 0.118E+00 -0.252E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4224 THR 639 N 504 HIS 564 CA 183 0.857E+00 -0.743E-02 -0.300E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4225 THR 639 N 504 HIS 564 C 184 0.799E+00 -0.179E+00 -0.407E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4226 THR 639 N 504 HIS 564 O 185 0.862E+00 0.126E+00 -0.268E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4227 THR 639 N 504 HIS 564 CB 186 0.783E+00 0.426E-01 -0.517E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4228 THR 639 N 504 HIS 564 CG 187 0.884E+00 -0.634E-01 -0.221E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4229 THR 639 N 504 HIS 564 ND1 188 0.881E+00 0.971E-01 -0.278E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4230 THR 639 N 504 HIS 564 CD2 189 0.102E+01 0.548E-01 -0.958E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4231 THR 639 N 504 HIS 564 CE1 190 0.100E+01 -0.489E-02 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4232 THR 639 N 504 HIS 564 HD1 193 0.811E+00 -0.422E-01 -0.120E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4233 THR 639 N 504 LEU 565 N 195 0.708E+00 0.120E+00 -0.102E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4234 THR 639 N 504 LEU 565 CA 196 0.685E+00 0.364E-01 -0.114E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4235 THR 639 N 504 LEU 565 C 197 0.826E+00 -0.146E+00 -0.333E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4236 THR 639 N 504 LEU 565 O 198 0.875E+00 0.129E+00 -0.245E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4237 THR 639 N 504 LEU 565 CB 199 0.612E+00 0.652E-01 -0.221E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4238 THR 639 N 504 LEU 565 CG 200 0.468E+00 -0.161E+00 -0.992E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4239 THR 639 N 504 LEU 565 CD1 201 0.505E+00 0.859E-01 -0.666E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4240 THR 639 N 504 LEU 565 CD2 202 0.423E+00 0.133E+00 -0.160E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4241 THR 639 N 504 LEU 566 N 204 0.914E+00 0.767E-01 -0.223E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4242 THR 639 N 504 LEU 568 N 225 0.105E+01 0.625E-01 -0.980E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4243 THR 639 N 504 LEU 568 CA 226 0.104E+01 0.180E-01 -0.960E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4244 THR 639 N 504 LEU 568 CB 229 0.899E+00 0.320E-01 -0.226E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4245 THR 639 N 504 LEU 568 CG 230 0.848E+00 -0.469E-01 -0.320E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4246 THR 639 N 504 LEU 568 CD1 231 0.719E+00 0.404E-01 -0.859E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4247 THR 639 N 504 LEU 568 CD2 232 0.965E+00 0.244E-01 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4248 THR 639 N 504 THR 569 CG2 240 0.101E+01 0.327E-01 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4249 THR 639 CA 505 ARG 557 O 113 0.103E+01 0.116E+00 -0.869E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4250 THR 639 CA 505 ALA 558 CA 128 0.996E+00 0.587E-02 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4251 THR 639 CA 505 ALA 558 C 129 0.998E+00 -0.119E+00 -0.983E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4252 THR 639 CA 505 ALA 558 O 130 0.901E+00 0.136E+00 -0.190E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4253 THR 639 CA 505 ALA 558 CB 131 0.104E+01 0.451E-01 -0.855E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4254 THR 639 CA 505 GLU 560 C 144 0.102E+01 -0.946E-01 -0.843E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4255 THR 639 CA 505 GLU 560 O 145 0.102E+01 0.120E+00 -0.916E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4256 THR 639 CA 505 ALA 561 N 152 0.924E+00 0.952E-01 -0.192E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4257 THR 639 CA 505 ALA 561 CA 153 0.787E+00 0.860E-02 -0.457E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4258 THR 639 CA 505 ALA 561 C 154 0.749E+00 -0.192E+00 -0.548E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4259 THR 639 CA 505 ALA 561 O 155 0.716E+00 0.203E+00 -0.752E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4260 THR 639 CA 505 ALA 561 CB 156 0.708E+00 0.860E-01 -0.861E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4261 THR 639 CA 505 GLN 562 N 158 0.801E+00 0.115E+00 -0.449E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4262 THR 639 CA 505 GLN 562 CA 159 0.806E+00 -0.109E-01 -0.397E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4263 THR 639 CA 505 GLN 562 C 160 0.902E+00 -0.102E+00 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4264 THR 639 CA 505 GLN 562 O 161 0.905E+00 0.137E+00 -0.185E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4265 THR 639 CA 505 GLN 562 CB 162 0.879E+00 0.815E-02 -0.237E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4266 THR 639 CA 505 GLN 562 CG 163 0.802E+00 0.595E-02 -0.411E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4267 THR 639 CA 505 GLN 562 CD 164 0.902E+00 -0.163E+00 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4268 THR 639 CA 505 GLN 562 OE1 165 0.102E+01 0.127E+00 -0.900E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4269 THR 639 CA 505 GLN 562 NE2 166 0.867E+00 0.230E+00 -0.281E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4270 THR 639 CA 505 GLN 563 N 170 0.999E+00 0.807E-01 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4271 THR 639 CA 505 HIS 564 N 182 0.983E+00 0.113E+00 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4272 THR 639 CA 505 HIS 564 CA 183 0.959E+00 -0.687E-02 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4273 THR 639 CA 505 HIS 564 C 184 0.896E+00 -0.163E+00 -0.187E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4274 THR 639 CA 505 HIS 564 O 185 0.963E+00 0.117E+00 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4275 THR 639 CA 505 HIS 564 CB 186 0.895E+00 0.375E-01 -0.212E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4276 THR 639 CA 505 HIS 564 CG 187 0.998E+00 -0.581E-01 -0.980E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4277 THR 639 CA 505 HIS 564 ND1 188 0.998E+00 0.884E-01 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4278 THR 639 CA 505 HIS 564 HD1 193 0.932E+00 -0.371E-01 -0.512E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4279 THR 639 CA 505 LEU 565 N 195 0.793E+00 0.108E+00 -0.478E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4280 THR 639 CA 505 LEU 565 CA 196 0.757E+00 0.333E-01 -0.577E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4281 THR 639 CA 505 LEU 565 C 197 0.889E+00 -0.143E+00 -0.196E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4282 THR 639 CA 505 LEU 565 O 198 0.938E+00 0.128E+00 -0.150E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4283 THR 639 CA 505 LEU 565 CB 199 0.661E+00 0.616E-01 -0.129E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4284 THR 639 CA 505 LEU 565 CG 200 0.510E+00 -0.145E+00 -0.571E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4285 THR 639 CA 505 LEU 565 CD1 201 0.503E+00 0.956E-01 -0.611E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4286 THR 639 CA 505 LEU 565 CD2 202 0.487E+00 0.103E+00 -0.726E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4287 THR 639 CA 505 LEU 566 N 204 0.971E+00 0.772E-01 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4288 THR 639 CA 505 LEU 568 CB 229 0.997E+00 0.302E-01 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4289 THR 639 CA 505 LEU 568 CG 230 0.961E+00 -0.425E-01 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4290 THR 639 CA 505 LEU 568 CD1 231 0.837E+00 0.340E-01 -0.318E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4291 THR 639 CA 505 THR 569 CG2 240 0.104E+01 0.347E-01 -0.868E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4292 THR 639 C 506 ARG 557 O 113 0.102E+01 -0.240E+00 -0.782E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4293 THR 639 C 506 ALA 558 CA 128 0.985E+00 -0.123E-01 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4294 THR 639 C 506 ALA 558 C 129 0.101E+01 0.242E+00 -0.808E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4295 THR 639 C 506 ALA 558 O 130 0.927E+00 -0.268E+00 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4296 THR 639 C 506 ALA 558 CB 131 0.102E+01 -0.957E-01 -0.846E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4297 THR 639 C 506 ALA 561 N 152 0.962E+00 -0.185E+00 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4298 THR 639 C 506 ALA 561 CA 153 0.832E+00 -0.161E-01 -0.292E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4299 THR 639 C 506 ALA 561 C 154 0.817E+00 0.339E+00 -0.288E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4300 THR 639 C 506 ALA 561 O 155 0.802E+00 -0.341E+00 -0.338E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4301 THR 639 C 506 ALA 561 CB 156 0.730E+00 -0.168E+00 -0.636E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4302 THR 639 C 506 GLN 562 N 158 0.869E+00 -0.207E+00 -0.245E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4303 THR 639 C 506 GLN 562 CA 159 0.892E+00 0.190E-01 -0.192E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4304 THR 639 C 506 GLN 562 C 160 0.100E+01 0.180E+00 -0.857E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4305 THR 639 C 506 GLN 562 O 161 0.102E+01 -0.237E+00 -0.810E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4306 THR 639 C 506 GLN 562 CB 162 0.957E+00 -0.147E-01 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4307 THR 639 C 506 GLN 562 CG 163 0.865E+00 -0.108E-01 -0.231E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4308 THR 639 C 506 GLN 562 CD 164 0.958E+00 0.307E+00 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4309 THR 639 C 506 GLN 562 NE2 166 0.919E+00 -0.433E+00 -0.176E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4310 THR 639 C 506 HIS 564 C 184 0.102E+01 0.277E+00 -0.768E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4311 THR 639 C 506 HIS 564 CB 186 0.992E+00 -0.662E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4312 THR 639 C 506 HIS 564 HD1 193 0.993E+00 0.696E-01 -0.310E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4313 THR 639 C 506 LEU 565 N 195 0.919E+00 -0.174E+00 -0.176E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4314 THR 639 C 506 LEU 565 CA 196 0.896E+00 -0.515E-01 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4315 THR 639 C 506 LEU 565 C 197 0.103E+01 0.236E+00 -0.717E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4316 THR 639 C 506 LEU 565 CB 199 0.798E+00 -0.892E-01 -0.374E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4317 THR 639 C 506 LEU 565 CG 200 0.650E+00 0.176E+00 -0.126E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4318 THR 639 C 506 LEU 565 CD1 201 0.642E+00 -0.115E+00 -0.136E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4319 THR 639 C 506 LEU 565 CD2 202 0.636E+00 -0.118E+00 -0.143E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4320 THR 639 C 506 LEU 568 CD1 231 0.967E+00 -0.557E-01 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4321 THR 639 O 507 ARG 557 O 113 0.100E+01 0.244E+00 -0.893E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4322 THR 639 O 507 ALA 558 N 127 0.104E+01 0.163E+00 -0.883E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4323 THR 639 O 507 ALA 558 CA 128 0.936E+00 0.131E-01 -0.151E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4324 THR 639 O 507 ALA 558 C 129 0.971E+00 -0.253E+00 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4325 THR 639 O 507 ALA 558 O 130 0.894E+00 0.280E+00 -0.179E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4326 THR 639 O 507 ALA 558 CB 131 0.957E+00 0.104E+00 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4327 THR 639 O 507 ALA 561 N 152 0.970E+00 0.180E+00 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4328 THR 639 O 507 ALA 561 CA 153 0.849E+00 0.154E-01 -0.270E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4329 THR 639 O 507 ALA 561 C 154 0.836E+00 -0.321E+00 -0.263E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4330 THR 639 O 507 ALA 561 O 155 0.838E+00 0.312E+00 -0.265E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4331 THR 639 O 507 ALA 561 CB 156 0.735E+00 0.163E+00 -0.641E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4332 THR 639 O 507 GLN 562 N 158 0.873E+00 0.203E+00 -0.247E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4333 THR 639 O 507 GLN 562 CA 159 0.896E+00 -0.186E-01 -0.196E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4334 THR 639 O 507 GLN 562 C 160 0.102E+01 -0.173E+00 -0.814E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4335 THR 639 O 507 GLN 562 O 161 0.104E+01 0.226E+00 -0.720E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4336 THR 639 O 507 GLN 562 CB 162 0.943E+00 0.148E-01 -0.144E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4337 THR 639 O 507 GLN 562 CG 163 0.836E+00 0.113E-01 -0.296E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4338 THR 639 O 507 GLN 562 CD 164 0.915E+00 -0.325E+00 -0.154E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4339 THR 639 O 507 GLN 562 OE1 165 0.103E+01 0.255E+00 -0.768E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4340 THR 639 O 507 GLN 562 NE2 166 0.865E+00 0.470E+00 -0.263E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4341 THR 639 O 507 LEU 565 N 195 0.979E+00 0.156E+00 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4342 THR 639 O 507 LEU 565 CA 196 0.956E+00 0.458E-01 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4343 THR 639 O 507 LEU 565 CB 199 0.846E+00 0.796E-01 -0.277E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4344 THR 639 O 507 LEU 565 CG 200 0.701E+00 -0.149E+00 -0.847E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4345 THR 639 O 507 LEU 565 CD1 201 0.674E+00 0.103E+00 -0.107E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4346 THR 639 O 507 LEU 565 CD2 202 0.710E+00 0.930E-01 -0.785E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4347 THR 639 CB 508 ALA 558 O 130 0.103E+01 -0.979E-01 -0.873E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4348 THR 639 CB 508 ALA 561 CA 153 0.921E+00 -0.581E-02 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4349 THR 639 CB 508 ALA 561 C 154 0.868E+00 0.130E+00 -0.226E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4350 THR 639 CB 508 ALA 561 O 155 0.825E+00 -0.138E+00 -0.322E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4351 THR 639 CB 508 ALA 561 CB 156 0.849E+00 -0.544E-01 -0.291E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4352 THR 639 CB 508 GLN 562 N 158 0.915E+00 -0.810E-01 -0.203E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4353 THR 639 CB 508 GLN 562 CA 159 0.902E+00 0.793E-02 -0.203E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4354 THR 639 CB 508 GLN 562 C 160 0.989E+00 0.779E-01 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4355 THR 639 CB 508 GLN 562 O 161 0.976E+00 -0.107E+00 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4356 THR 639 CB 508 GLN 562 CB 162 0.970E+00 -0.613E-02 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4357 THR 639 CB 508 GLN 562 CG 163 0.894E+00 -0.435E-02 -0.215E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4358 THR 639 CB 508 GLN 562 CD 164 0.985E+00 0.125E+00 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4359 THR 639 CB 508 GLN 562 NE2 166 0.937E+00 -0.178E+00 -0.176E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4360 THR 639 CB 508 HIS 564 CA 183 0.104E+01 0.535E-02 -0.860E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4361 THR 639 CB 508 HIS 564 C 184 0.961E+00 0.129E+00 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4362 THR 639 CB 508 HIS 564 O 185 0.101E+01 -0.949E-01 -0.937E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4363 THR 639 CB 508 HIS 564 CB 186 0.987E+00 -0.283E-01 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4364 THR 639 CB 508 HIS 564 HD1 193 0.104E+01 0.275E-01 -0.258E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4365 THR 639 CB 508 LEU 565 N 195 0.857E+00 -0.827E-01 -0.301E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4366 THR 639 CB 508 LEU 565 CA 196 0.799E+00 -0.266E-01 -0.420E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4367 THR 639 CB 508 LEU 565 C 197 0.918E+00 0.119E+00 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4368 THR 639 CB 508 LEU 565 O 198 0.948E+00 -0.111E+00 -0.140E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4369 THR 639 CB 508 LEU 565 CB 199 0.702E+00 -0.480E-01 -0.904E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4370 THR 639 CB 508 LEU 565 CG 200 0.550E+00 0.107E+00 -0.376E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4371 THR 639 CB 508 LEU 565 CD1 201 0.520E+00 -0.779E-01 -0.514E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4372 THR 639 CB 508 LEU 565 CD2 202 0.504E+00 -0.837E-01 -0.607E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4373 THR 639 CB 508 LEU 566 N 204 0.101E+01 -0.639E-01 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4374 THR 639 CB 508 LEU 568 CB 229 0.996E+00 -0.265E-01 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4375 THR 639 CB 508 LEU 568 CG 230 0.979E+00 0.362E-01 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4376 THR 639 CB 508 LEU 568 CD1 231 0.854E+00 -0.288E-01 -0.281E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4377 THR 639 CB 508 THR 569 CG2 240 0.100E+01 -0.320E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4378 THR 639 OG1 509 ALA 558 O 130 0.102E+01 0.249E+00 -0.898E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4379 THR 639 OG1 509 ALA 561 N 152 0.105E+01 0.176E+00 -0.929E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4380 THR 639 OG1 509 ALA 561 CA 153 0.910E+00 0.150E-01 -0.198E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4381 THR 639 OG1 509 ALA 561 C 154 0.837E+00 -0.350E+00 -0.289E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4382 THR 639 OG1 509 ALA 561 O 155 0.780E+00 0.385E+00 -0.452E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4383 THR 639 OG1 509 ALA 561 CB 156 0.859E+00 0.135E+00 -0.279E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4384 THR 639 OG1 509 GLN 562 N 158 0.880E+00 0.218E+00 -0.261E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4385 THR 639 OG1 509 GLN 562 CA 159 0.849E+00 -0.222E-01 -0.300E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4386 THR 639 OG1 509 GLN 562 C 160 0.920E+00 -0.220E+00 -0.164E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4387 THR 639 OG1 509 GLN 562 O 161 0.892E+00 0.312E+00 -0.202E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4388 THR 639 OG1 509 GLN 562 CB 162 0.919E+00 0.168E-01 -0.186E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4389 THR 639 OG1 509 GLN 562 CG 163 0.857E+00 0.118E-01 -0.282E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4390 THR 639 OG1 509 GLN 562 CD 164 0.951E+00 -0.334E+00 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4391 THR 639 OG1 509 GLN 562 NE2 166 0.907E+00 0.475E+00 -0.219E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4392 THR 639 OG1 509 GLN 563 N 170 0.103E+01 0.171E+00 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4393 THR 639 OG1 509 HIS 564 N 182 0.100E+01 0.243E+00 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4394 THR 639 OG1 509 HIS 564 CA 183 0.968E+00 -0.151E-01 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4395 THR 639 OG1 509 HIS 564 C 184 0.873E+00 -0.378E+00 -0.224E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4396 THR 639 OG1 509 HIS 564 O 185 0.917E+00 0.279E+00 -0.171E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4397 THR 639 OG1 509 HIS 564 CB 186 0.930E+00 0.786E-01 -0.174E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4398 THR 639 OG1 509 HIS 564 HD1 193 0.102E+01 -0.718E-01 -0.256E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4399 THR 639 OG1 509 LEU 565 N 195 0.768E+00 0.253E+00 -0.589E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4400 THR 639 OG1 509 LEU 565 CA 196 0.693E+00 0.873E-01 -0.100E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4401 THR 639 OG1 509 LEU 565 C 197 0.803E+00 -0.378E+00 -0.371E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4402 THR 639 OG1 509 LEU 565 O 198 0.824E+00 0.352E+00 -0.326E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4403 THR 639 OG1 509 LEU 565 CB 199 0.599E+00 0.168E+00 -0.238E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4404 THR 639 OG1 509 LEU 565 CG 200 0.450E+00 -0.434E+00 -0.116E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4405 THR 639 OG1 509 LEU 565 CD1 201 0.414E+00 0.344E+00 -0.173E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4406 THR 639 OG1 509 LEU 565 CD2 202 0.394E+00 0.392E+00 -0.210E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4407 THR 639 OG1 509 LEU 566 N 204 0.901E+00 0.193E+00 -0.228E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4408 THR 639 OG1 509 LEU 566 CA 205 0.102E+01 0.453E-01 -0.990E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4409 THR 639 OG1 509 LEU 568 N 225 0.104E+01 0.156E+00 -0.972E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4410 THR 639 OG1 509 LEU 568 CA 226 0.101E+01 0.459E-01 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4411 THR 639 OG1 509 LEU 568 C 227 0.104E+01 -0.252E+00 -0.802E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4412 THR 639 OG1 509 LEU 568 CB 229 0.881E+00 0.811E-01 -0.240E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4413 THR 639 OG1 509 LEU 568 CG 230 0.878E+00 -0.109E+00 -0.245E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4414 THR 639 OG1 509 LEU 568 CD1 231 0.762E+00 0.890E-01 -0.572E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4415 THR 639 OG1 509 LEU 568 CD2 232 0.101E+01 0.561E-01 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4416 THR 639 OG1 509 THR 569 N 234 0.997E+00 0.114E+00 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4417 THR 639 OG1 509 THR 569 CB 238 0.101E+01 -0.108E+00 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4418 THR 639 OG1 509 THR 569 CG2 240 0.865E+00 0.102E+00 -0.268E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4419 THR 639 OG1 509 THR 569 HG1 242 0.102E+01 -0.181E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4420 THR 639 CG2 510 ALA 561 CA 153 0.101E+01 0.375E-02 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4421 THR 639 CG2 510 ALA 561 C 154 0.953E+00 -0.829E-01 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4422 THR 639 CG2 510 ALA 561 O 155 0.922E+00 0.850E-01 -0.166E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4423 THR 639 CG2 510 ALA 561 CB 156 0.925E+00 0.350E-01 -0.174E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4424 THR 639 CG2 510 GLN 562 N 158 0.983E+00 0.537E-01 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4425 THR 639 CG2 510 GLN 562 CA 159 0.964E+00 -0.529E-02 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4426 THR 639 CG2 510 GLN 562 O 161 0.105E+01 0.714E-01 -0.766E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4427 THR 639 CG2 510 GLN 562 CB 162 0.101E+01 0.426E-02 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4428 THR 639 CG2 510 GLN 562 CG 163 0.918E+00 0.308E-02 -0.183E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4429 THR 639 CG2 510 GLN 562 CD 164 0.990E+00 -0.918E-01 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4430 THR 639 CG2 510 GLN 562 NE2 166 0.924E+00 0.135E+00 -0.192E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4431 THR 639 CG2 510 LEU 565 N 195 0.967E+00 0.505E-01 -0.146E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4432 THR 639 CG2 510 LEU 565 CA 196 0.901E+00 0.160E-01 -0.204E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4433 THR 639 CG2 510 LEU 565 C 197 0.101E+01 -0.764E-01 -0.913E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4434 THR 639 CG2 510 LEU 565 O 198 0.104E+01 0.713E-01 -0.803E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4435 THR 639 CG2 510 LEU 565 CB 199 0.789E+00 0.286E-01 -0.452E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4436 THR 639 CG2 510 LEU 565 CG 200 0.639E+00 -0.571E-01 -0.157E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4437 THR 639 CG2 510 LEU 565 CD1 201 0.576E+00 0.456E-01 -0.288E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4438 THR 639 CG2 510 LEU 565 CD2 202 0.614E+00 0.397E-01 -0.198E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4439 THR 639 CG2 510 LEU 568 CD1 231 0.992E+00 0.168E-01 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4440 THR 639 HG1 512 ALA 558 O 130 0.103E+01 -0.166E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4441 THR 639 HG1 512 ALA 561 N 152 0.102E+01 -0.122E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4442 THR 639 HG1 512 ALA 561 CA 153 0.883E+00 -0.106E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4443 THR 639 HG1 512 ALA 561 C 154 0.812E+00 0.248E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4444 THR 639 HG1 512 ALA 561 O 155 0.744E+00 -0.282E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4445 THR 639 HG1 512 ALA 561 CB 156 0.844E+00 -0.937E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4446 THR 639 HG1 512 GLN 562 N 158 0.866E+00 -0.151E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4447 THR 639 HG1 512 GLN 562 CA 159 0.838E+00 0.152E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4448 THR 639 HG1 512 GLN 562 C 160 0.898E+00 0.154E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4449 THR 639 HG1 512 GLN 562 O 161 0.868E+00 -0.220E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4450 THR 639 HG1 512 GLN 562 CB 162 0.921E+00 -0.113E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4451 THR 639 HG1 512 GLN 562 CG 163 0.873E+00 -0.769E-02 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4452 THR 639 HG1 512 GLN 562 CD 164 0.977E+00 0.215E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4453 THR 639 HG1 512 GLN 562 NE2 166 0.945E+00 -0.299E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4454 THR 639 HG1 512 GLN 563 N 170 0.101E+01 -0.120E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4455 THR 639 HG1 512 GLN 563 C 172 0.102E+01 0.127E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4456 THR 639 HG1 512 GLN 563 O 173 0.105E+01 -0.164E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4457 THR 639 HG1 512 HIS 564 N 182 0.954E+00 -0.177E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4458 THR 639 HG1 512 HIS 564 CA 183 0.906E+00 0.112E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4459 THR 639 HG1 512 HIS 564 C 184 0.809E+00 0.290E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4460 THR 639 HG1 512 HIS 564 O 185 0.848E+00 -0.214E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4461 THR 639 HG1 512 HIS 564 CB 186 0.863E+00 -0.596E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4462 THR 639 HG1 512 HIS 564 CG 187 0.991E+00 0.878E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4463 THR 639 HG1 512 HIS 564 ND1 188 0.101E+01 -0.129E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4464 THR 639 HG1 512 HIS 564 HD1 193 0.956E+00 0.533E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4465 THR 639 HG1 512 LEU 565 N 195 0.712E+00 -0.196E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4466 THR 639 HG1 512 LEU 565 CA 196 0.640E+00 -0.689E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4467 THR 639 HG1 512 LEU 565 C 197 0.755E+00 0.284E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4468 THR 639 HG1 512 LEU 565 O 198 0.773E+00 -0.265E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4469 THR 639 HG1 512 LEU 565 CB 199 0.563E+00 -0.129E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4470 THR 639 HG1 512 LEU 565 CG 200 0.418E+00 0.353E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4471 THR 639 HG1 512 LEU 565 CD1 201 0.412E+00 -0.234E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4472 THR 639 HG1 512 LEU 565 CD2 202 0.335E+00 -0.409E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4473 THR 639 HG1 512 LEU 566 N 204 0.860E+00 -0.140E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4474 THR 639 HG1 512 LEU 566 CA 205 0.983E+00 -0.323E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4475 THR 639 HG1 512 LEU 568 N 225 0.968E+00 -0.116E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4476 THR 639 HG1 512 LEU 568 CA 226 0.938E+00 -0.347E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4477 THR 639 HG1 512 LEU 568 C 227 0.970E+00 0.187E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4478 THR 639 HG1 512 LEU 568 CB 229 0.802E+00 -0.640E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4479 THR 639 HG1 512 LEU 568 CG 230 0.793E+00 0.870E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4480 THR 639 HG1 512 LEU 568 CD1 231 0.672E+00 -0.761E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4481 THR 639 HG1 512 LEU 568 CD2 232 0.921E+00 -0.434E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4482 THR 639 HG1 512 THR 569 N 234 0.940E+00 -0.838E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4483 THR 639 HG1 512 THR 569 CA 235 0.100E+01 -0.839E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4484 THR 639 HG1 512 THR 569 CB 238 0.975E+00 0.770E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4485 THR 639 HG1 512 THR 569 OG1 239 0.102E+01 -0.181E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4486 THR 639 HG1 512 THR 569 CG2 240 0.833E+00 -0.732E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4487 THR 639 HG1 512 THR 569 HG1 242 0.983E+00 0.129E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4488 SER 640 N 513 ALA 558 O 130 0.101E+01 0.227E+00 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4489 SER 640 N 513 ALA 561 N 152 0.102E+01 0.165E+00 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4490 SER 640 N 513 ALA 561 CA 153 0.883E+00 0.141E-01 -0.251E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4491 SER 640 N 513 ALA 561 C 154 0.884E+00 -0.287E+00 -0.222E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4492 SER 640 N 513 ALA 561 O 155 0.865E+00 0.289E+00 -0.262E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4493 SER 640 N 513 ALA 561 CB 156 0.781E+00 0.143E+00 -0.525E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4494 SER 640 N 513 GLN 562 N 158 0.950E+00 0.174E+00 -0.176E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4495 SER 640 N 513 GLN 562 CA 159 0.985E+00 -0.157E-01 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4496 SER 640 N 513 GLN 562 CG 163 0.975E+00 0.863E-02 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4497 SER 640 N 513 GLN 562 NE2 166 0.104E+01 0.346E+00 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4498 SER 640 N 513 HIS 564 CB 186 0.102E+01 0.612E-01 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4499 SER 640 N 513 HIS 564 HD1 193 0.994E+00 -0.672E-01 -0.353E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4500 SER 640 N 513 LEU 565 N 195 0.980E+00 0.152E+00 -0.147E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4501 SER 640 N 513 LEU 565 CA 196 0.965E+00 0.443E-01 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4502 SER 640 N 513 LEU 565 CB 199 0.883E+00 0.727E-01 -0.253E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4503 SER 640 N 513 LEU 565 CG 200 0.736E+00 -0.133E+00 -0.747E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4504 SER 640 N 513 LEU 565 CD1 201 0.746E+00 0.833E-01 -0.691E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4505 SER 640 N 513 LEU 565 CD2 202 0.703E+00 0.930E-01 -0.980E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4506 SER 640 N 513 LEU 568 CD1 231 0.983E+00 0.525E-01 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4507 SER 640 CA 514 ALA 561 CA 153 0.952E+00 -0.273E-02 -0.147E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4508 SER 640 CA 514 ALA 561 C 154 0.971E+00 0.540E-01 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4509 SER 640 CA 514 ALA 561 O 155 0.965E+00 -0.531E-01 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4510 SER 640 CA 514 ALA 561 CB 156 0.836E+00 -0.277E-01 -0.320E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4511 SER 640 CA 514 GLN 562 N 158 0.104E+01 -0.334E-01 -0.968E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4512 SER 640 CA 514 LEU 565 CB 199 0.102E+01 -0.128E-01 -0.999E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4513 SER 640 CA 514 LEU 565 CG 200 0.871E+00 0.216E-01 -0.250E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4514 SER 640 CA 514 LEU 565 CD1 201 0.879E+00 -0.136E-01 -0.238E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4515 SER 640 CA 514 LEU 565 CD2 202 0.845E+00 -0.145E-01 -0.300E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4516 SER 640 C 515 ARG 557 C 112 0.102E+01 0.262E+00 -0.750E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4517 SER 640 C 515 ARG 557 O 113 0.974E+00 -0.223E+00 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4518 SER 640 C 515 ARG 557 NH1 119 0.105E+01 -0.239E+00 -0.814E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4519 SER 640 C 515 ALA 558 N 127 0.103E+01 -0.145E+00 -0.909E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4520 SER 640 C 515 ALA 558 CA 128 0.962E+00 -0.110E-01 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4521 SER 640 C 515 ALA 558 C 129 0.103E+01 0.204E+00 -0.735E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4522 SER 640 C 515 ALA 558 O 130 0.971E+00 -0.215E+00 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4523 SER 640 C 515 ALA 558 CB 131 0.100E+01 -0.850E-01 -0.954E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4524 SER 640 C 515 ALA 561 N 152 0.984E+00 -0.154E+00 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4525 SER 640 C 515 ALA 561 CA 153 0.870E+00 -0.129E-01 -0.224E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4526 SER 640 C 515 ALA 561 C 154 0.908E+00 0.246E+00 -0.154E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4527 SER 640 C 515 ALA 561 O 155 0.919E+00 -0.235E+00 -0.150E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4528 SER 640 C 515 ALA 561 CB 156 0.743E+00 -0.140E+00 -0.574E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4529 SER 640 C 515 GLN 562 N 158 0.971E+00 -0.150E+00 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4530 SER 640 C 515 GLN 562 CA 159 0.103E+01 0.131E-01 -0.791E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4531 SER 640 C 515 GLN 562 CG 163 0.101E+01 -0.736E-02 -0.936E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4532 SER 640 C 515 HIS 564 HD1 193 0.102E+01 0.580E-01 -0.269E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4533 SER 640 C 515 LEU 565 CB 199 0.103E+01 -0.515E-01 -0.834E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4534 SER 640 C 515 LEU 565 CG 200 0.891E+00 0.853E-01 -0.194E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4535 SER 640 C 515 LEU 565 CD1 201 0.907E+00 -0.530E-01 -0.174E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4536 SER 640 C 515 LEU 565 CD2 202 0.884E+00 -0.552E-01 -0.203E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4537 SER 640 O 516 ARG 557 C 112 0.102E+01 -0.317E+00 -0.798E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4538 SER 640 O 516 ARG 557 O 113 0.986E+00 0.264E+00 -0.999E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4539 SER 640 O 516 ARG 557 NH1 119 0.100E+01 0.306E+00 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4540 SER 640 O 516 ALA 558 N 127 0.101E+01 0.178E+00 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4541 SER 640 O 516 ALA 558 CA 128 0.951E+00 0.135E-01 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4542 SER 640 O 516 ALA 558 C 129 0.103E+01 -0.244E+00 -0.753E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4543 SER 640 O 516 ALA 558 O 130 0.986E+00 0.253E+00 -0.995E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4544 SER 640 O 516 ALA 558 CB 131 0.977E+00 0.106E+00 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4545 SER 640 O 516 ALA 561 N 152 0.103E+01 0.174E+00 -0.933E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4546 SER 640 O 516 ALA 561 CA 153 0.924E+00 0.141E-01 -0.163E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4547 SER 640 O 516 ALA 561 C 154 0.968E+00 -0.267E+00 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4548 SER 640 O 516 ALA 561 O 155 0.992E+00 0.251E+00 -0.962E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4549 SER 640 O 516 ALA 561 CB 156 0.788E+00 0.151E+00 -0.425E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4550 SER 640 O 516 GLN 562 N 158 0.102E+01 0.168E+00 -0.969E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4551 SER 640 O 516 GLN 562 CG 163 0.104E+01 0.849E-02 -0.826E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4552 SER 640 O 516 LEU 565 CG 200 0.977E+00 -0.888E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4553 SER 640 O 516 LEU 565 CD1 201 0.982E+00 0.564E-01 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4554 SER 640 O 516 LEU 565 CD2 202 0.983E+00 0.564E-01 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4555 SER 640 CB 517 ALA 561 CA 153 0.105E+01 -0.297E-02 -0.841E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4556 SER 640 CB 517 ALA 561 CB 156 0.935E+00 -0.288E-01 -0.164E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4557 SER 640 CB 517 LEU 565 CG 200 0.968E+00 0.228E-01 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4558 SER 640 CB 517 LEU 565 CD1 201 0.988E+00 -0.142E-01 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4559 SER 640 CB 517 LEU 565 CD2 202 0.923E+00 -0.157E-01 -0.177E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4560 SER 640 OG 518 ALA 561 CB 156 0.104E+01 0.107E+00 -0.893E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4561 SER 640 OG 518 LEU 565 CG 200 0.989E+00 -0.960E-01 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4562 SER 640 OG 518 LEU 565 CD1 201 0.100E+01 0.606E-01 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4563 SER 640 OG 518 LEU 565 CD2 202 0.929E+00 0.677E-01 -0.175E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4564 SER 640 HG 520 LEU 565 CG 200 0.103E+01 0.630E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4565 SER 640 HG 520 LEU 565 CD1 201 0.103E+01 -0.405E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4566 SER 640 HG 520 LEU 565 CD2 202 0.976E+00 -0.437E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4567 LEU 641 N 521 ARG 557 CA 111 0.103E+01 0.343E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4568 LEU 641 N 521 ARG 557 C 112 0.933E+00 -0.221E+00 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4569 LEU 641 N 521 ARG 557 O 113 0.876E+00 0.194E+00 -0.243E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4570 LEU 641 N 521 ARG 557 CB 114 0.988E+00 0.103E-01 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4571 LEU 641 N 521 ARG 557 NH1 119 0.979E+00 0.193E+00 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4572 LEU 641 N 521 ALA 558 N 127 0.949E+00 0.120E+00 -0.177E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4573 LEU 641 N 521 ALA 558 CA 128 0.893E+00 0.910E-02 -0.235E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4574 LEU 641 N 521 ALA 558 C 129 0.953E+00 -0.167E+00 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4575 LEU 641 N 521 ALA 558 O 130 0.896E+00 0.179E+00 -0.211E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4576 LEU 641 N 521 ALA 558 CB 131 0.953E+00 0.675E-01 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4577 LEU 641 N 521 GLU 560 C 144 0.994E+00 -0.129E+00 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4578 LEU 641 N 521 GLU 560 O 145 0.102E+01 0.157E+00 -0.971E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4579 LEU 641 N 521 ALA 561 N 152 0.875E+00 0.136E+00 -0.288E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4580 LEU 641 N 521 ALA 561 CA 153 0.761E+00 0.120E-01 -0.614E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4581 LEU 641 N 521 ALA 561 C 154 0.809E+00 -0.219E+00 -0.376E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4582 LEU 641 N 521 ALA 561 O 155 0.820E+00 0.208E+00 -0.361E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4583 LEU 641 N 521 ALA 561 CB 156 0.638E+00 0.138E+00 -0.173E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4584 LEU 641 N 521 GLN 562 N 158 0.883E+00 0.128E+00 -0.273E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4585 LEU 641 N 521 GLN 562 CA 159 0.957E+00 -0.108E-01 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4586 LEU 641 N 521 GLN 562 CB 162 0.103E+01 0.831E-02 -0.974E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4587 LEU 641 N 521 GLN 562 CG 163 0.952E+00 0.587E-02 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4588 LEU 641 N 521 GLN 562 NE2 166 0.105E+01 0.226E+00 -0.989E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4589 LEU 641 N 521 HIS 564 CB 186 0.983E+00 0.426E-01 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4590 LEU 641 N 521 HIS 564 CG 187 0.103E+01 -0.731E-01 -0.911E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4591 LEU 641 N 521 HIS 564 ND1 188 0.970E+00 0.121E+00 -0.156E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4592 LEU 641 N 521 HIS 564 HD1 193 0.889E+00 -0.524E-01 -0.688E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4593 LEU 641 N 521 LEU 565 N 195 0.101E+01 0.955E-01 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4594 LEU 641 N 521 LEU 565 CA 196 0.103E+01 0.262E-01 -0.976E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4595 LEU 641 N 521 LEU 565 CB 199 0.963E+00 0.416E-01 -0.150E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4596 LEU 641 N 521 LEU 565 CG 200 0.837E+00 -0.695E-01 -0.347E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4597 LEU 641 N 521 LEU 565 CD1 201 0.874E+00 0.414E-01 -0.268E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4598 LEU 641 N 521 LEU 565 CD2 202 0.833E+00 0.448E-01 -0.356E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4599 LEU 641 CA 522 ASN 554 O 84 0.957E+00 0.434E-01 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4600 LEU 641 CA 522 ARG 557 N 110 0.102E+01 0.226E-01 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4601 LEU 641 CA 522 ARG 557 CA 111 0.899E+00 0.120E-01 -0.207E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4602 LEU 641 CA 522 ARG 557 C 112 0.813E+00 -0.789E-01 -0.334E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4603 LEU 641 CA 522 ARG 557 O 113 0.764E+00 0.699E-01 -0.510E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4604 LEU 641 CA 522 ARG 557 CB 114 0.850E+00 0.371E-02 -0.289E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4605 LEU 641 CA 522 ARG 557 CG 115 0.942E+00 -0.102E-02 -0.157E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4606 LEU 641 CA 522 ARG 557 CD 116 0.920E+00 -0.111E-01 -0.181E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4607 LEU 641 CA 522 ARG 557 NE 117 0.969E+00 -0.378E-01 -0.144E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4608 LEU 641 CA 522 ARG 557 CZ 118 0.933E+00 -0.488E-01 -0.147E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4609 LEU 641 CA 522 ARG 557 NH1 119 0.837E+00 0.706E-01 -0.346E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4610 LEU 641 CA 522 ARG 557 NH2 120 0.102E+01 0.520E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4611 LEU 641 CA 522 ALA 558 N 127 0.834E+00 0.420E-01 -0.355E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4612 LEU 641 CA 522 ALA 558 CA 128 0.792E+00 0.317E-02 -0.442E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4613 LEU 641 CA 522 ALA 558 C 129 0.865E+00 -0.556E-01 -0.232E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4614 LEU 641 CA 522 ALA 558 O 130 0.822E+00 0.589E-01 -0.328E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4615 LEU 641 CA 522 ALA 558 CB 131 0.856E+00 0.228E-01 -0.278E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4616 LEU 641 CA 522 ILE 559 N 133 0.990E+00 0.356E-01 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4617 LEU 641 CA 522 GLU 560 N 142 0.102E+01 0.318E-01 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4618 LEU 641 CA 522 GLU 560 CA 143 0.103E+01 -0.239E-02 -0.940E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4619 LEU 641 CA 522 GLU 560 C 144 0.920E+00 -0.415E-01 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4620 LEU 641 CA 522 GLU 560 O 145 0.960E+00 0.489E-01 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4621 LEU 641 CA 522 GLU 560 CB 146 0.103E+01 -0.558E-02 -0.922E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4622 LEU 641 CA 522 ALA 561 N 152 0.798E+00 0.453E-01 -0.461E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4623 LEU 641 CA 522 ALA 561 CA 153 0.699E+00 0.400E-02 -0.931E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4624 LEU 641 CA 522 ALA 561 C 154 0.769E+00 -0.680E-01 -0.465E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4625 LEU 641 CA 522 ALA 561 O 155 0.799E+00 0.619E-01 -0.390E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4626 LEU 641 CA 522 ALA 561 CB 156 0.567E+00 0.506E-01 -0.313E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4627 LEU 641 CA 522 GLN 562 N 158 0.841E+00 0.395E-01 -0.338E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4628 LEU 641 CA 522 GLN 562 CA 159 0.932E+00 -0.320E-02 -0.167E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4629 LEU 641 CA 522 GLN 562 C 160 0.105E+01 -0.304E-01 -0.737E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4630 LEU 641 CA 522 GLN 562 CB 162 0.100E+01 0.247E-02 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4631 LEU 641 CA 522 GLN 562 CG 163 0.923E+00 0.175E-02 -0.176E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4632 LEU 641 CA 522 GLN 562 CD 164 0.103E+01 -0.500E-01 -0.838E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4633 LEU 641 CA 522 GLN 562 NE2 166 0.103E+01 0.660E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4634 LEU 641 CA 522 HIS 564 CB 186 0.973E+00 0.123E-01 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4635 LEU 641 CA 522 HIS 564 CG 187 0.998E+00 -0.216E-01 -0.982E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4636 LEU 641 CA 522 HIS 564 ND1 188 0.934E+00 0.364E-01 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4637 LEU 641 CA 522 HIS 564 CE1 190 0.101E+01 -0.199E-02 -0.915E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4638 LEU 641 CA 522 HIS 564 HD1 193 0.857E+00 -0.158E-01 -0.843E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4639 LEU 641 CA 522 LEU 565 N 195 0.102E+01 0.266E-01 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4640 LEU 641 CA 522 LEU 565 CB 199 0.997E+00 0.112E-01 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4641 LEU 641 CA 522 LEU 565 CG 200 0.884E+00 -0.180E-01 -0.229E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4642 LEU 641 CA 522 LEU 565 CD1 201 0.928E+00 0.107E-01 -0.172E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4643 LEU 641 CA 522 LEU 565 CD2 202 0.899E+00 0.112E-01 -0.207E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4644 LEU 641 C 523 ASN 554 CA 82 0.992E+00 0.201E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4645 LEU 641 C 523 ASN 554 C 83 0.954E+00 0.292E+00 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4646 LEU 641 C 523 ASN 554 O 84 0.843E+00 -0.302E+00 -0.251E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4647 LEU 641 C 523 ASN 554 CB 85 0.102E+01 -0.402E-01 -0.863E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4648 LEU 641 C 523 ASN 554 OD1 87 0.103E+01 -0.223E+00 -0.767E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4649 LEU 641 C 523 LEU 555 O 95 0.985E+00 -0.251E+00 -0.987E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4650 LEU 641 C 523 LEU 556 C 103 0.102E+01 0.245E+00 -0.764E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4651 LEU 641 C 523 LEU 556 O 104 0.101E+01 -0.243E+00 -0.854E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4652 LEU 641 C 523 ARG 557 N 110 0.939E+00 -0.146E+00 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4653 LEU 641 C 523 ARG 557 CA 111 0.826E+00 -0.783E-01 -0.305E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4654 LEU 641 C 523 ARG 557 C 112 0.726E+00 0.550E+00 -0.581E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4655 LEU 641 C 523 ARG 557 O 113 0.687E+00 -0.484E+00 -0.850E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4656 LEU 641 C 523 ARG 557 CB 114 0.786E+00 -0.241E-01 -0.409E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4657 LEU 641 C 523 ARG 557 CG 115 0.897E+00 0.626E-02 -0.187E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4658 LEU 641 C 523 ARG 557 CD 116 0.889E+00 0.666E-01 -0.197E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4659 LEU 641 C 523 ARG 557 NE 117 0.928E+00 0.229E+00 -0.166E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4660 LEU 641 C 523 ARG 557 CZ 118 0.897E+00 0.295E+00 -0.165E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4661 LEU 641 C 523 ARG 557 NH1 119 0.818E+00 -0.416E+00 -0.352E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4662 LEU 641 C 523 ARG 557 NH2 120 0.973E+00 -0.315E+00 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4663 LEU 641 C 523 ARG 557 HE 122 0.100E+01 0.529E-01 -0.297E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4664 LEU 641 C 523 ALA 558 N 127 0.726E+00 -0.305E+00 -0.715E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4665 LEU 641 C 523 ALA 558 CA 128 0.671E+00 -0.246E-01 -0.105E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4666 LEU 641 C 523 ALA 558 C 129 0.749E+00 0.405E+00 -0.483E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4667 LEU 641 C 523 ALA 558 O 130 0.711E+00 -0.435E+00 -0.692E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4668 LEU 641 C 523 ALA 558 CB 131 0.720E+00 -0.176E+00 -0.691E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4669 LEU 641 C 523 ILE 559 N 133 0.878E+00 -0.243E+00 -0.231E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4670 LEU 641 C 523 ILE 559 CA 134 0.982E+00 -0.461E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4671 LEU 641 C 523 ILE 559 C 135 0.971E+00 0.262E+00 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4672 LEU 641 C 523 ILE 559 O 136 0.101E+01 -0.270E+00 -0.859E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4673 LEU 641 C 523 GLU 560 N 142 0.946E+00 -0.203E+00 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4674 LEU 641 C 523 GLU 560 CA 143 0.969E+00 0.148E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4675 LEU 641 C 523 GLU 560 C 144 0.871E+00 0.257E+00 -0.197E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4676 LEU 641 C 523 GLU 560 O 145 0.924E+00 -0.295E+00 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4677 LEU 641 C 523 GLU 560 CB 146 0.984E+00 0.338E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4678 LEU 641 C 523 ALA 561 N 152 0.742E+00 -0.293E+00 -0.631E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4679 LEU 641 C 523 ALA 561 CA 153 0.653E+00 -0.260E-01 -0.123E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4680 LEU 641 C 523 ALA 561 C 154 0.716E+00 0.441E+00 -0.634E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4681 LEU 641 C 523 ALA 561 O 155 0.762E+00 -0.382E+00 -0.458E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4682 LEU 641 C 523 ALA 561 CB 156 0.508E+00 -0.370E+00 -0.515E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4683 LEU 641 C 523 GLN 562 N 158 0.766E+00 -0.264E+00 -0.523E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4684 LEU 641 C 523 GLN 562 CA 159 0.853E+00 0.209E-01 -0.251E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4685 LEU 641 C 523 GLN 562 C 160 0.982E+00 0.190E+00 -0.963E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4686 LEU 641 C 523 GLN 562 CB 162 0.907E+00 -0.164E-01 -0.174E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4687 LEU 641 C 523 GLN 562 CG 163 0.813E+00 -0.123E-01 -0.335E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4688 LEU 641 C 523 GLN 562 CD 164 0.902E+00 0.345E+00 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4689 LEU 641 C 523 GLN 562 OE1 165 0.988E+00 -0.282E+00 -0.968E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4690 LEU 641 C 523 GLN 562 NE2 166 0.899E+00 -0.458E+00 -0.201E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4691 LEU 641 C 523 GLN 563 N 170 0.103E+01 -0.164E+00 -0.898E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4692 LEU 641 C 523 HIS 564 CB 186 0.984E+00 -0.686E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4693 LEU 641 C 523 HIS 564 CG 187 0.101E+01 0.120E+00 -0.793E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4694 LEU 641 C 523 HIS 564 ND1 188 0.962E+00 -0.197E+00 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4695 LEU 641 C 523 HIS 564 CE1 190 0.104E+01 0.109E-01 -0.693E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4696 LEU 641 C 523 HIS 564 HD1 193 0.895E+00 0.836E-01 -0.578E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4697 LEU 641 C 523 LEU 565 N 195 0.101E+01 -0.154E+00 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4698 LEU 641 C 523 LEU 565 CA 196 0.105E+01 -0.417E-01 -0.740E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4699 LEU 641 C 523 LEU 565 CB 199 0.961E+00 -0.673E-01 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4700 LEU 641 C 523 LEU 565 CG 200 0.853E+00 0.109E+00 -0.252E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4701 LEU 641 C 523 LEU 565 CD1 201 0.879E+00 -0.661E-01 -0.210E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4702 LEU 641 C 523 LEU 565 CD2 202 0.892E+00 -0.646E-01 -0.192E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4703 LEU 641 O 524 ASN 553 O 73 0.980E+00 0.232E+00 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4704 LEU 641 O 524 ASN 554 N 81 0.102E+01 0.179E+00 -0.972E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4705 LEU 641 O 524 ASN 554 CA 82 0.889E+00 -0.232E-01 -0.206E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4706 LEU 641 O 524 ASN 554 C 83 0.860E+00 -0.336E+00 -0.223E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4707 LEU 641 O 524 ASN 554 O 84 0.753E+00 0.359E+00 -0.500E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4708 LEU 641 O 524 ASN 554 CB 85 0.908E+00 0.468E-01 -0.182E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4709 LEU 641 O 524 ASN 554 CG 86 0.956E+00 -0.268E+00 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4710 LEU 641 O 524 ASN 554 OD1 87 0.912E+00 0.260E+00 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4711 LEU 641 O 524 LEU 555 N 92 0.972E+00 0.159E+00 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4712 LEU 641 O 524 LEU 555 CA 93 0.991E+00 0.439E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4713 LEU 641 O 524 LEU 555 C 94 0.984E+00 -0.252E+00 -0.994E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4714 LEU 641 O 524 LEU 555 O 95 0.927E+00 0.269E+00 -0.144E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4715 LEU 641 O 524 LEU 556 C 103 0.971E+00 -0.257E+00 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4716 LEU 641 O 524 LEU 556 O 104 0.975E+00 0.249E+00 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4717 LEU 641 O 524 ARG 557 N 110 0.882E+00 0.157E+00 -0.234E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4718 LEU 641 O 524 ARG 557 CA 111 0.777E+00 0.848E-01 -0.461E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4719 LEU 641 O 524 ARG 557 C 112 0.686E+00 -0.597E+00 -0.854E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4720 LEU 641 O 524 ARG 557 O 113 0.668E+00 0.499E+00 -0.103E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4721 LEU 641 O 524 ARG 557 CB 114 0.724E+00 0.273E-01 -0.704E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4722 LEU 641 O 524 ARG 557 CG 115 0.836E+00 -0.684E-02 -0.298E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4723 LEU 641 O 524 ARG 557 CD 116 0.821E+00 -0.741E-01 -0.332E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4724 LEU 641 O 524 ARG 557 NE 117 0.844E+00 -0.261E+00 -0.304E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4725 LEU 641 O 524 ARG 557 CZ 118 0.805E+00 -0.344E+00 -0.330E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4726 LEU 641 O 524 ARG 557 NH1 119 0.731E+00 0.497E+00 -0.715E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4727 LEU 641 O 524 ARG 557 NH2 120 0.871E+00 0.365E+00 -0.251E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4728 LEU 641 O 524 ARG 557 HE 122 0.913E+00 -0.592E-01 -0.431E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4729 LEU 641 O 524 ALA 558 N 127 0.676E+00 0.341E+00 -0.114E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4730 LEU 641 O 524 ALA 558 CA 128 0.631E+00 0.271E-01 -0.158E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4731 LEU 641 O 524 ALA 558 C 129 0.731E+00 -0.413E+00 -0.589E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4732 LEU 641 O 524 ALA 558 O 130 0.712E+00 0.423E+00 -0.701E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4733 LEU 641 O 524 ALA 558 CB 131 0.666E+00 0.200E+00 -0.115E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4734 LEU 641 O 524 ILE 559 N 133 0.856E+00 0.247E+00 -0.279E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4735 LEU 641 O 524 ILE 559 CA 134 0.973E+00 0.456E-01 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4736 LEU 641 O 524 ILE 559 C 135 0.976E+00 -0.253E+00 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4737 LEU 641 O 524 ILE 559 O 136 0.103E+01 0.256E+00 -0.782E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4738 LEU 641 O 524 GLU 560 N 142 0.947E+00 0.197E+00 -0.152E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4739 LEU 641 O 524 GLU 560 CA 143 0.983E+00 -0.141E-01 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4740 LEU 641 O 524 GLU 560 C 144 0.901E+00 -0.237E+00 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4741 LEU 641 O 524 GLU 560 O 145 0.968E+00 0.267E+00 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4742 LEU 641 O 524 GLU 560 CB 146 0.990E+00 -0.326E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4743 LEU 641 O 524 ALA 561 N 152 0.770E+00 0.267E+00 -0.526E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4744 LEU 641 O 524 ALA 561 CA 153 0.701E+00 0.220E-01 -0.853E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4745 LEU 641 O 524 ALA 561 C 154 0.774E+00 -0.372E+00 -0.418E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4746 LEU 641 O 524 ALA 561 O 155 0.835E+00 0.317E+00 -0.269E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4747 LEU 641 O 524 ALA 561 CB 156 0.551E+00 0.299E+00 -0.350E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4748 LEU 641 O 524 GLN 562 N 158 0.811E+00 0.232E+00 -0.385E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4749 LEU 641 O 524 GLN 562 CA 159 0.905E+00 -0.185E-01 -0.185E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4750 LEU 641 O 524 GLN 562 C 160 0.104E+01 -0.170E+00 -0.718E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4751 LEU 641 O 524 GLN 562 CB 162 0.945E+00 0.150E-01 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4752 LEU 641 O 524 GLN 562 CG 163 0.844E+00 0.112E-01 -0.281E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4753 LEU 641 O 524 GLN 562 CD 164 0.919E+00 -0.326E+00 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4754 LEU 641 O 524 GLN 562 OE1 165 0.996E+00 0.271E+00 -0.938E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4755 LEU 641 O 524 GLN 562 NE2 166 0.916E+00 0.433E+00 -0.186E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4756 LEU 641 O 524 HIS 564 ND1 188 0.103E+01 0.173E+00 -0.896E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4757 LEU 641 O 524 HIS 564 HD1 193 0.972E+00 -0.716E-01 -0.295E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4758 LEU 641 O 524 LEU 565 CG 200 0.951E+00 -0.888E-01 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4759 LEU 641 O 524 LEU 565 CD1 201 0.971E+00 0.551E-01 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4760 LEU 641 O 524 LEU 565 CD2 202 0.100E+01 0.527E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4761 LEU 641 CB 525 ASN 554 O 84 0.960E+00 0.617E-01 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4762 LEU 641 CB 525 LEU 556 O 104 0.103E+01 0.594E-01 -0.865E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4763 LEU 641 CB 525 ARG 557 N 110 0.972E+00 0.348E-01 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4764 LEU 641 CB 525 ARG 557 CA 111 0.838E+00 0.192E-01 -0.316E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4765 LEU 641 CB 525 ARG 557 C 112 0.759E+00 -0.127E+00 -0.504E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4766 LEU 641 CB 525 ARG 557 O 113 0.695E+00 0.119E+00 -0.895E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4767 LEU 641 CB 525 ARG 557 CB 114 0.797E+00 0.591E-02 -0.426E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4768 LEU 641 CB 525 ARG 557 CG 115 0.876E+00 -0.163E-02 -0.242E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4769 LEU 641 CB 525 ARG 557 CD 116 0.861E+00 -0.176E-01 -0.268E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4770 LEU 641 CB 525 ARG 557 NE 117 0.932E+00 -0.573E-01 -0.182E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4771 LEU 641 CB 525 ARG 557 CZ 118 0.912E+00 -0.721E-01 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4772 LEU 641 CB 525 ARG 557 NH1 119 0.816E+00 0.105E+00 -0.402E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4773 LEU 641 CB 525 ARG 557 NH2 120 0.101E+01 0.747E-01 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4774 LEU 641 CB 525 ARG 557 HE 122 0.102E+01 -0.130E-01 -0.305E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4775 LEU 641 CB 525 ALA 558 N 127 0.802E+00 0.639E-01 -0.446E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4776 LEU 641 CB 525 ALA 558 CA 128 0.774E+00 0.472E-02 -0.508E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4777 LEU 641 CB 525 ALA 558 C 129 0.833E+00 -0.843E-01 -0.290E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4778 LEU 641 CB 525 ALA 558 O 130 0.788E+00 0.904E-01 -0.422E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4779 LEU 641 CB 525 ALA 558 CB 131 0.862E+00 0.321E-01 -0.266E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4780 LEU 641 CB 525 ILE 559 N 133 0.950E+00 0.539E-01 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4781 LEU 641 CB 525 ILE 559 CA 134 0.104E+01 0.107E-01 -0.871E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4782 LEU 641 CB 525 ILE 559 C 135 0.991E+00 -0.638E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4783 LEU 641 CB 525 ILE 559 O 136 0.102E+01 0.669E-01 -0.916E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4784 LEU 641 CB 525 GLU 560 N 142 0.943E+00 0.512E-01 -0.170E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4785 LEU 641 CB 525 GLU 560 CA 143 0.928E+00 -0.397E-02 -0.172E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4786 LEU 641 CB 525 GLU 560 C 144 0.818E+00 -0.717E-01 -0.323E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4787 LEU 641 CB 525 GLU 560 O 145 0.851E+00 0.846E-01 -0.266E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4788 LEU 641 CB 525 GLU 560 CB 146 0.922E+00 -0.939E-02 -0.178E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4789 LEU 641 CB 525 GLU 560 OE1 149 0.100E+01 0.909E-01 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4790 LEU 641 CB 525 ALA 561 N 152 0.705E+00 0.810E-01 -0.962E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4791 LEU 641 CB 525 ALA 561 CA 153 0.605E+00 0.764E-02 -0.216E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4792 LEU 641 CB 525 ALA 561 C 154 0.690E+00 -0.119E+00 -0.885E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4793 LEU 641 CB 525 ALA 561 O 155 0.715E+00 0.108E+00 -0.757E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4794 LEU 641 CB 525 ALA 561 CB 156 0.491E+00 0.101E+00 -0.699E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4795 LEU 641 CB 525 GLN 562 N 158 0.778E+00 0.645E-01 -0.536E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4796 LEU 641 CB 525 GLN 562 CA 159 0.880E+00 -0.500E-02 -0.236E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4797 LEU 641 CB 525 GLN 562 C 160 0.982E+00 -0.477E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4798 LEU 641 CB 525 GLN 562 O 161 0.105E+01 0.583E-01 -0.759E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4799 LEU 641 CB 525 GLN 562 CB 162 0.969E+00 0.372E-02 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4800 LEU 641 CB 525 GLN 562 CG 163 0.909E+00 0.256E-02 -0.194E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4801 LEU 641 CB 525 GLN 562 CD 164 0.102E+01 -0.714E-01 -0.843E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4802 LEU 641 CB 525 GLN 562 NE2 166 0.104E+01 0.919E-01 -0.924E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4803 LEU 641 CB 525 GLN 563 N 170 0.101E+01 0.422E-01 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4804 LEU 641 CB 525 HIS 564 N 182 0.977E+00 0.605E-01 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4805 LEU 641 CB 525 HIS 564 CA 183 0.974E+00 -0.357E-02 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4806 LEU 641 CB 525 HIS 564 C 184 0.100E+01 -0.731E-01 -0.960E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4807 LEU 641 CB 525 HIS 564 CB 186 0.855E+00 0.215E-01 -0.280E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4808 LEU 641 CB 525 HIS 564 CG 187 0.867E+00 -0.385E-01 -0.228E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4809 LEU 641 CB 525 HIS 564 ND1 188 0.794E+00 0.680E-01 -0.475E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4810 LEU 641 CB 525 HIS 564 CD2 189 0.981E+00 0.340E-01 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4811 LEU 641 CB 525 HIS 564 CE1 190 0.865E+00 -0.361E-02 -0.231E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4812 LEU 641 CB 525 HIS 564 NE2 191 0.973E+00 0.113E-01 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4813 LEU 641 CB 525 HIS 564 HD1 193 0.716E+00 -0.311E-01 -0.249E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4814 LEU 641 CB 525 LEU 565 N 195 0.943E+00 0.429E-01 -0.170E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4815 LEU 641 CB 525 LEU 565 CA 196 0.100E+01 0.112E-01 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4816 LEU 641 CB 525 LEU 565 CB 199 0.950E+00 0.172E-01 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4817 LEU 641 CB 525 LEU 565 CG 200 0.852E+00 -0.274E-01 -0.286E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4818 LEU 641 CB 525 LEU 565 CD1 201 0.919E+00 0.155E-01 -0.181E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4819 LEU 641 CB 525 LEU 565 CD2 202 0.864E+00 0.171E-01 -0.262E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4820 LEU 641 CB 525 LEU 568 CD1 231 0.105E+01 0.127E-01 -0.831E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4821 LEU 641 CG 526 ASN 553 O 73 0.989E+00 -0.787E-01 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4822 LEU 641 CG 526 ASN 554 CA 82 0.990E+00 0.674E-02 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4823 LEU 641 CG 526 ASN 554 C 83 0.973E+00 0.949E-01 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4824 LEU 641 CG 526 ASN 554 O 84 0.866E+00 -0.968E-01 -0.240E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4825 LEU 641 CG 526 ASN 554 OD1 87 0.102E+01 -0.759E-01 -0.918E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4826 LEU 641 CG 526 LEU 555 O 95 0.100E+01 -0.819E-01 -0.995E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4827 LEU 641 CG 526 LEU 556 C 103 0.945E+00 0.921E-01 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4828 LEU 641 CG 526 LEU 556 O 104 0.927E+00 -0.925E-01 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4829 LEU 641 CG 526 ARG 557 N 110 0.857E+00 -0.566E-01 -0.302E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4830 LEU 641 CG 526 ARG 557 CA 111 0.719E+00 -0.337E-01 -0.783E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4831 LEU 641 CG 526 ARG 557 C 112 0.660E+00 0.222E+00 -0.115E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4832 LEU 641 CG 526 ARG 557 O 113 0.604E+00 -0.211E+00 -0.205E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4833 LEU 641 CG 526 ARG 557 CB 114 0.666E+00 -0.110E-01 -0.123E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4834 LEU 641 CG 526 ARG 557 CG 115 0.734E+00 0.297E-02 -0.696E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4835 LEU 641 CG 526 ARG 557 CD 116 0.714E+00 0.329E-01 -0.821E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4836 LEU 641 CG 526 ARG 557 NE 117 0.790E+00 0.101E+00 -0.490E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4837 LEU 641 CG 526 ARG 557 CZ 118 0.776E+00 0.126E+00 -0.443E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4838 LEU 641 CG 526 ARG 557 NH1 119 0.681E+00 -0.196E+00 -0.118E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4839 LEU 641 CG 526 ARG 557 NH2 120 0.882E+00 -0.123E+00 -0.253E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4840 LEU 641 CG 526 ARG 557 HE 122 0.875E+00 0.218E-01 -0.745E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4841 LEU 641 CG 526 ALA 558 N 127 0.717E+00 -0.105E+00 -0.869E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4842 LEU 641 CG 526 ALA 558 CA 128 0.714E+00 -0.729E-02 -0.815E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4843 LEU 641 CG 526 ALA 558 C 129 0.785E+00 0.125E+00 -0.413E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4844 LEU 641 CG 526 ALA 558 O 130 0.759E+00 -0.129E+00 -0.530E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4845 LEU 641 CG 526 ALA 558 CB 131 0.813E+00 -0.474E-01 -0.379E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4846 LEU 641 CG 526 ILE 559 N 133 0.892E+00 -0.794E-01 -0.237E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4847 LEU 641 CG 526 ILE 559 CA 134 0.988E+00 -0.153E-01 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4848 LEU 641 CG 526 ILE 559 C 135 0.939E+00 0.924E-01 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4849 LEU 641 CG 526 ILE 559 O 136 0.979E+00 -0.944E-01 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4850 LEU 641 CG 526 GLU 560 N 142 0.874E+00 -0.770E-01 -0.268E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4851 LEU 641 CG 526 GLU 560 CA 143 0.858E+00 0.600E-02 -0.273E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4852 LEU 641 CG 526 GLU 560 C 144 0.765E+00 0.108E+00 -0.480E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4853 LEU 641 CG 526 GLU 560 O 145 0.813E+00 -0.122E+00 -0.352E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4854 LEU 641 CG 526 GLU 560 CB 146 0.832E+00 0.148E-01 -0.328E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4855 LEU 641 CG 526 GLU 560 CG 147 0.951E+00 -0.541E-02 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4856 LEU 641 CG 526 GLU 560 CD 148 0.963E+00 0.120E+00 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4857 LEU 641 CG 526 GLU 560 OE1 149 0.882E+00 -0.148E+00 -0.216E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4858 LEU 641 CG 526 ALA 561 N 152 0.656E+00 -0.125E+00 -0.148E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4859 LEU 641 CG 526 ALA 561 CA 153 0.582E+00 -0.111E-01 -0.272E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4860 LEU 641 CG 526 ALA 561 C 154 0.694E+00 0.157E+00 -0.859E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4861 LEU 641 CG 526 ALA 561 O 155 0.736E+00 -0.137E+00 -0.636E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4862 LEU 641 CG 526 ALA 561 CB 156 0.471E+00 -0.149E+00 -0.865E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4863 LEU 641 CG 526 GLN 562 N 158 0.778E+00 -0.860E-01 -0.535E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4864 LEU 641 CG 526 GLN 562 CA 159 0.897E+00 0.646E-02 -0.210E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4865 LEU 641 CG 526 GLN 562 C 160 0.996E+00 0.622E-01 -0.993E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4866 LEU 641 CG 526 GLN 562 CB 162 0.982E+00 -0.486E-02 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4867 LEU 641 CG 526 GLN 562 CG 163 0.930E+00 -0.330E-02 -0.170E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4868 LEU 641 CG 526 GLN 562 CD 164 0.104E+01 0.930E-01 -0.763E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4869 LEU 641 CG 526 GLN 563 N 170 0.101E+01 -0.566E-01 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4870 LEU 641 CG 526 HIS 564 N 182 0.982E+00 -0.801E-01 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4871 LEU 641 CG 526 HIS 564 CA 183 0.991E+00 0.463E-02 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4872 LEU 641 CG 526 HIS 564 C 184 0.104E+01 0.922E-01 -0.764E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4873 LEU 641 CG 526 HIS 564 CB 186 0.871E+00 -0.278E-01 -0.250E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4874 LEU 641 CG 526 HIS 564 CG 187 0.858E+00 0.522E-01 -0.243E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4875 LEU 641 CG 526 HIS 564 ND1 188 0.773E+00 -0.951E-01 -0.557E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4876 LEU 641 CG 526 HIS 564 CD2 189 0.958E+00 -0.469E-01 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4877 LEU 641 CG 526 HIS 564 CE1 190 0.824E+00 0.523E-02 -0.309E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4878 LEU 641 CG 526 HIS 564 NE2 191 0.933E+00 -0.161E-01 -0.181E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4879 LEU 641 CG 526 HIS 564 HD1 193 0.702E+00 0.431E-01 -0.279E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4880 LEU 641 CG 526 LEU 565 N 195 0.991E+00 -0.531E-01 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4881 LEU 641 CG 526 LEU 565 CB 199 0.102E+01 -0.206E-01 -0.960E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4882 LEU 641 CG 526 LEU 565 CG 200 0.940E+00 0.311E-01 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4883 LEU 641 CG 526 LEU 565 CD1 201 0.101E+01 -0.178E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4884 LEU 641 CG 526 LEU 565 CD2 202 0.966E+00 -0.191E-01 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4885 LEU 641 CD1 527 ASN 553 O 73 0.101E+01 0.487E-01 -0.949E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4886 LEU 641 CD1 527 ASN 554 CA 82 0.101E+01 -0.421E-02 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4887 LEU 641 CD1 527 ASN 554 C 83 0.101E+01 -0.573E-01 -0.903E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4888 LEU 641 CD1 527 ASN 554 O 84 0.916E+00 0.566E-01 -0.171E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4889 LEU 641 CD1 527 ASN 554 OD1 87 0.991E+00 0.505E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4890 LEU 641 CD1 527 LEU 556 C 103 0.102E+01 -0.527E-01 -0.864E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4891 LEU 641 CD1 527 LEU 556 O 104 0.101E+01 0.517E-01 -0.932E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4892 LEU 641 CD1 527 ARG 557 N 110 0.919E+00 0.324E-01 -0.198E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4893 LEU 641 CD1 527 ARG 557 CA 111 0.784E+00 0.184E-01 -0.469E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4894 LEU 641 CD1 527 ARG 557 C 112 0.749E+00 -0.112E+00 -0.548E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4895 LEU 641 CD1 527 ARG 557 O 113 0.708E+00 0.979E-01 -0.798E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4896 LEU 641 CD1 527 ARG 557 CB 114 0.704E+00 0.635E-02 -0.891E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4897 LEU 641 CD1 527 ARG 557 CG 115 0.749E+00 -0.183E-02 -0.615E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4898 LEU 641 CD1 527 ARG 557 CD 116 0.698E+00 -0.220E-01 -0.937E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4899 LEU 641 CD1 527 ARG 557 NE 117 0.763E+00 -0.686E-01 -0.603E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4900 LEU 641 CD1 527 ARG 557 CZ 118 0.729E+00 -0.909E-01 -0.642E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4901 LEU 641 CD1 527 ARG 557 NH1 119 0.617E+00 0.153E+00 -0.211E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4902 LEU 641 CD1 527 ARG 557 NH2 120 0.831E+00 0.871E-01 -0.363E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4903 LEU 641 CD1 527 ARG 557 HE 122 0.855E+00 -0.145E-01 -0.855E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4904 LEU 641 CD1 527 ALA 558 N 127 0.808E+00 0.539E-01 -0.428E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4905 LEU 641 CD1 527 ALA 558 CA 128 0.822E+00 0.362E-02 -0.354E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4906 LEU 641 CD1 527 ALA 558 C 129 0.907E+00 -0.626E-01 -0.174E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4907 LEU 641 CD1 527 ALA 558 O 130 0.893E+00 0.625E-01 -0.200E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4908 LEU 641 CD1 527 ALA 558 CB 131 0.912E+00 0.250E-01 -0.190E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4909 LEU 641 CD1 527 ILE 559 N 133 0.101E+01 0.421E-01 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4910 LEU 641 CD1 527 GLU 560 N 142 0.993E+00 0.404E-01 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4911 LEU 641 CD1 527 GLU 560 CA 143 0.977E+00 -0.313E-02 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4912 LEU 641 CD1 527 GLU 560 C 144 0.894E+00 -0.528E-01 -0.190E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4913 LEU 641 CD1 527 GLU 560 O 145 0.944E+00 0.612E-01 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4914 LEU 641 CD1 527 GLU 560 CB 146 0.934E+00 -0.787E-02 -0.165E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4915 LEU 641 CD1 527 GLU 560 CG 147 0.104E+01 0.303E-02 -0.859E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4916 LEU 641 CD1 527 GLU 560 CD 148 0.103E+01 -0.690E-01 -0.799E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4917 LEU 641 CD1 527 GLU 560 OE1 149 0.943E+00 0.852E-01 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4918 LEU 641 CD1 527 ALA 561 N 152 0.789E+00 0.562E-01 -0.491E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4919 LEU 641 CD1 527 ALA 561 CA 153 0.726E+00 0.453E-02 -0.744E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4920 LEU 641 CD1 527 ALA 561 C 154 0.844E+00 -0.705E-01 -0.269E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4921 LEU 641 CD1 527 ALA 561 O 155 0.885E+00 0.634E-01 -0.211E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4922 LEU 641 CD1 527 ALA 561 CB 156 0.618E+00 0.513E-01 -0.191E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4923 LEU 641 CD1 527 GLN 562 N 158 0.928E+00 0.410E-01 -0.187E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4924 LEU 641 CD1 527 GLN 562 CA 159 0.105E+01 -0.327E-02 -0.824E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4925 LEU 641 CD1 527 HIS 564 CB 186 0.999E+00 0.144E-01 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4926 LEU 641 CD1 527 HIS 564 CG 187 0.976E+00 -0.273E-01 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4927 LEU 641 CD1 527 HIS 564 ND1 188 0.880E+00 0.488E-01 -0.257E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4928 LEU 641 CD1 527 HIS 564 CE1 190 0.920E+00 -0.279E-02 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4929 LEU 641 CD1 527 HIS 564 NE2 191 0.104E+01 0.881E-02 -0.970E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4930 LEU 641 CD1 527 HIS 564 HD1 193 0.807E+00 -0.214E-01 -0.121E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4931 LEU 641 CD2 528 ASN 553 O 73 0.989E+00 0.504E-01 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4932 LEU 641 CD2 528 ASN 554 CA 82 0.103E+01 -0.407E-02 -0.913E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4933 LEU 641 CD2 528 ASN 554 C 83 0.101E+01 -0.578E-01 -0.935E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4934 LEU 641 CD2 528 ASN 554 O 84 0.900E+00 0.583E-01 -0.191E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4935 LEU 641 CD2 528 LEU 555 O 95 0.999E+00 0.528E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4936 LEU 641 CD2 528 LEU 556 C 103 0.907E+00 -0.630E-01 -0.175E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4937 LEU 641 CD2 528 LEU 556 O 104 0.874E+00 0.650E-01 -0.227E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4938 LEU 641 CD2 528 ARG 557 N 110 0.829E+00 0.383E-01 -0.366E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4939 LEU 641 CD2 528 ARG 557 CA 111 0.686E+00 0.236E-01 -0.104E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4940 LEU 641 CD2 528 ARG 557 C 112 0.634E+00 -0.154E+00 -0.146E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4941 LEU 641 CD2 528 ARG 557 O 113 0.560E+00 0.159E+00 -0.318E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4942 LEU 641 CD2 528 ARG 557 CB 114 0.652E+00 0.740E-02 -0.140E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4943 LEU 641 CD2 528 ARG 557 CG 115 0.705E+00 -0.205E-02 -0.881E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4944 LEU 641 CD2 528 ARG 557 CD 116 0.702E+00 -0.217E-01 -0.906E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4945 LEU 641 CD2 528 ARG 557 NE 117 0.802E+00 -0.627E-01 -0.447E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4946 LEU 641 CD2 528 ARG 557 CZ 118 0.811E+00 -0.749E-01 -0.341E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4947 LEU 641 CD2 528 ARG 557 NH1 119 0.725E+00 0.111E+00 -0.818E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4948 LEU 641 CD2 528 ARG 557 NH2 120 0.930E+00 0.724E-01 -0.185E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4949 LEU 641 CD2 528 ARG 557 HE 122 0.885E+00 -0.137E-01 -0.697E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4950 LEU 641 CD2 528 ALA 558 N 127 0.714E+00 0.676E-01 -0.894E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4951 LEU 641 CD2 528 ALA 558 CA 128 0.721E+00 0.458E-02 -0.771E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4952 LEU 641 CD2 528 ALA 558 C 129 0.770E+00 -0.827E-01 -0.463E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4953 LEU 641 CD2 528 ALA 558 O 130 0.740E+00 0.866E-01 -0.615E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4954 LEU 641 CD2 528 ALA 558 CB 131 0.840E+00 0.287E-01 -0.311E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4955 LEU 641 CD2 528 ILE 559 N 133 0.865E+00 0.535E-01 -0.284E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4956 LEU 641 CD2 528 ILE 559 CA 134 0.945E+00 0.105E-01 -0.153E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4957 LEU 641 CD2 528 ILE 559 C 135 0.876E+00 -0.662E-01 -0.215E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4958 LEU 641 CD2 528 ILE 559 O 136 0.909E+00 0.679E-01 -0.181E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4959 LEU 641 CD2 528 GLU 560 N 142 0.800E+00 0.573E-01 -0.453E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4960 LEU 641 CD2 528 GLU 560 CA 143 0.763E+00 -0.472E-02 -0.550E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4961 LEU 641 CD2 528 GLU 560 C 144 0.667E+00 -0.895E-01 -0.108E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4962 LEU 641 CD2 528 GLU 560 O 145 0.705E+00 0.102E+00 -0.825E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4963 LEU 641 CD2 528 GLU 560 CB 146 0.729E+00 -0.120E-01 -0.724E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4964 LEU 641 CD2 528 GLU 560 CG 147 0.852E+00 0.413E-02 -0.285E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4965 LEU 641 CD2 528 GLU 560 CD 148 0.861E+00 -0.914E-01 -0.237E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4966 LEU 641 CD2 528 GLU 560 OE1 149 0.775E+00 0.118E+00 -0.468E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4967 LEU 641 CD2 528 GLU 560 OE2 150 0.973E+00 0.811E-01 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4968 LEU 641 CD2 528 ALA 561 N 152 0.574E+00 0.106E+00 -0.323E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4969 LEU 641 CD2 528 ALA 561 CA 153 0.504E+00 0.987E-02 -0.609E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4970 LEU 641 CD2 528 ALA 561 C 154 0.627E+00 -0.123E+00 -0.156E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4971 LEU 641 CD2 528 ALA 561 O 155 0.663E+00 0.107E+00 -0.119E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4972 LEU 641 CD2 528 ALA 561 CB 156 0.425E+00 0.123E+00 -0.137E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4973 LEU 641 CD2 528 GLN 562 N 158 0.725E+00 0.628E-01 -0.818E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4974 LEU 641 CD2 528 GLN 562 CA 159 0.850E+00 -0.452E-02 -0.291E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4975 LEU 641 CD2 528 GLN 562 C 160 0.931E+00 -0.442E-01 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4976 LEU 641 CD2 528 GLN 562 O 161 0.101E+01 0.523E-01 -0.932E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4977 LEU 641 CD2 528 GLN 562 CB 162 0.948E+00 0.328E-02 -0.151E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4978 LEU 641 CD2 528 GLN 562 CG 163 0.919E+00 0.215E-02 -0.182E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4979 LEU 641 CD2 528 GLN 562 CD 164 0.104E+01 -0.596E-01 -0.766E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4980 LEU 641 CD2 528 GLN 563 N 170 0.927E+00 0.411E-01 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4981 LEU 641 CD2 528 GLN 563 CA 171 0.102E+01 -0.341E-02 -0.982E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4982 LEU 641 CD2 528 GLN 563 C 172 0.994E+00 -0.400E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4983 LEU 641 CD2 528 GLN 563 CB 174 0.103E+01 0.289E-02 -0.902E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4984 LEU 641 CD2 528 HIS 564 N 182 0.877E+00 0.612E-01 -0.262E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4985 LEU 641 CD2 528 HIS 564 CA 183 0.883E+00 -0.356E-02 -0.231E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4986 LEU 641 CD2 528 HIS 564 C 184 0.946E+00 -0.680E-01 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4987 LEU 641 CD2 528 HIS 564 O 185 0.104E+01 0.469E-01 -0.781E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4988 LEU 641 CD2 528 HIS 564 CB 186 0.757E+00 0.227E-01 -0.578E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4989 LEU 641 CD2 528 HIS 564 CG 187 0.728E+00 -0.448E-01 -0.649E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4990 LEU 641 CD2 528 HIS 564 ND1 188 0.634E+00 0.894E-01 -0.180E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4991 LEU 641 CD2 528 HIS 564 CD2 189 0.822E+00 0.385E-01 -0.313E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4992 LEU 641 CD2 528 HIS 564 CE1 190 0.678E+00 -0.481E-02 -0.989E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4993 LEU 641 CD2 528 HIS 564 NE2 191 0.790E+00 0.136E-01 -0.491E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4994 LEU 641 CD2 528 HIS 564 HD1 193 0.565E+00 -0.433E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4995 LEU 641 CD2 528 LEU 565 N 195 0.912E+00 0.386E-01 -0.207E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4996 LEU 641 CD2 528 LEU 565 CA 196 0.100E+01 0.952E-02 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4997 LEU 641 CD2 528 LEU 565 CB 199 0.978E+00 0.141E-01 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4998 LEU 641 CD2 528 LEU 565 CG 200 0.914E+00 -0.208E-01 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
4999 LEU 641 CD2 528 LEU 565 CD1 201 0.101E+01 0.115E-01 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5000 LEU 641 CD2 528 LEU 565 CD2 202 0.938E+00 0.128E-01 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5001 ILE 642 N 530 ASN 554 CA 82 0.104E+01 -0.148E-01 -0.947E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5002 ILE 642 N 530 ASN 554 C 83 0.983E+00 -0.219E+00 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5003 ILE 642 N 530 ASN 554 O 84 0.867E+00 0.227E+00 -0.259E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5004 ILE 642 N 530 LEU 555 C 94 0.105E+01 -0.186E+00 -0.798E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5005 ILE 642 N 530 LEU 555 O 95 0.969E+00 0.203E+00 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5006 ILE 642 N 530 LEU 556 C 103 0.103E+01 -0.191E+00 -0.909E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5007 ILE 642 N 530 LEU 556 O 104 0.100E+01 0.192E+00 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5008 ILE 642 N 530 ARG 557 N 110 0.959E+00 0.111E+00 -0.167E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5009 ILE 642 N 530 ARG 557 CA 111 0.852E+00 0.585E-01 -0.313E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5010 ILE 642 N 530 ARG 557 C 112 0.734E+00 -0.424E+00 -0.671E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5011 ILE 642 N 530 ARG 557 O 113 0.685E+00 0.383E+00 -0.105E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5012 ILE 642 N 530 ARG 557 CB 114 0.836E+00 0.171E-01 -0.350E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5013 ILE 642 N 530 ARG 557 CG 115 0.957E+00 -0.444E-02 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5014 ILE 642 N 530 ARG 557 CD 116 0.968E+00 -0.458E-01 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5015 ILE 642 N 530 ARG 557 NE 117 0.101E+01 -0.158E+00 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5016 ILE 642 N 530 ARG 557 CZ 118 0.993E+00 -0.198E+00 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5017 ILE 642 N 530 ARG 557 NH1 119 0.925E+00 0.268E+00 -0.208E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5018 ILE 642 N 530 ALA 558 N 127 0.724E+00 0.241E+00 -0.896E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5019 ILE 642 N 530 ALA 558 CA 128 0.645E+00 0.210E-01 -0.164E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5020 ILE 642 N 530 ALA 558 C 129 0.703E+00 -0.360E+00 -0.872E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5021 ILE 642 N 530 ALA 558 O 130 0.648E+00 0.412E+00 -0.147E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5022 ILE 642 N 530 ALA 558 CB 131 0.690E+00 0.150E+00 -0.110E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5023 ILE 642 N 530 ILE 559 N 133 0.835E+00 0.208E+00 -0.382E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5024 ILE 642 N 530 ILE 559 CA 134 0.928E+00 0.396E-01 -0.187E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5025 ILE 642 N 530 ILE 559 C 135 0.919E+00 -0.224E+00 -0.176E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5026 ILE 642 N 530 ILE 559 O 136 0.945E+00 0.234E+00 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5027 ILE 642 N 530 GLU 560 N 142 0.910E+00 0.169E+00 -0.228E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5028 ILE 642 N 530 GLU 560 CA 143 0.938E+00 -0.122E-01 -0.176E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5029 ILE 642 N 530 GLU 560 C 144 0.832E+00 -0.218E+00 -0.318E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5030 ILE 642 N 530 GLU 560 O 145 0.878E+00 0.252E+00 -0.239E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5031 ILE 642 N 530 GLU 560 CB 146 0.973E+00 -0.271E-01 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5032 ILE 642 N 530 ALA 561 N 152 0.704E+00 0.255E+00 -0.106E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5033 ILE 642 N 530 ALA 561 CA 153 0.604E+00 0.240E-01 -0.239E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5034 ILE 642 N 530 ALA 561 C 154 0.641E+00 -0.432E+00 -0.150E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5035 ILE 642 N 530 ALA 561 O 155 0.682E+00 0.371E+00 -0.108E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5036 ILE 642 N 530 ALA 561 CB 156 0.464E+00 0.362E+00 -0.104E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5037 ILE 642 N 530 GLN 562 N 158 0.682E+00 0.259E+00 -0.127E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5038 ILE 642 N 530 GLN 562 CA 159 0.755E+00 -0.204E-01 -0.643E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5039 ILE 642 N 530 GLN 562 C 160 0.886E+00 -0.175E+00 -0.219E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5040 ILE 642 N 530 GLN 562 O 161 0.948E+00 0.212E+00 -0.152E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5041 ILE 642 N 530 GLN 562 CB 162 0.805E+00 0.157E-01 -0.437E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5042 ILE 642 N 530 GLN 562 CG 163 0.706E+00 0.125E-01 -0.957E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5043 ILE 642 N 530 GLN 562 CD 164 0.796E+00 -0.335E+00 -0.415E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5044 ILE 642 N 530 GLN 562 OE1 165 0.890E+00 0.261E+00 -0.220E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5045 ILE 642 N 530 GLN 562 NE2 166 0.786E+00 0.453E+00 -0.550E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5046 ILE 642 N 530 GLN 563 N 170 0.945E+00 0.146E+00 -0.182E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5047 ILE 642 N 530 HIS 564 N 182 0.986E+00 0.187E+00 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5048 ILE 642 N 530 HIS 564 CA 183 0.101E+01 -0.106E-01 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5049 ILE 642 N 530 HIS 564 C 184 0.101E+01 -0.226E+00 -0.991E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5050 ILE 642 N 530 HIS 564 CB 186 0.928E+00 0.591E-01 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5051 ILE 642 N 530 HIS 564 CG 187 0.974E+00 -0.100E+00 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5052 ILE 642 N 530 HIS 564 ND1 188 0.939E+00 0.161E+00 -0.190E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5053 ILE 642 N 530 HIS 564 CE1 190 0.102E+01 -0.872E-02 -0.922E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5054 ILE 642 N 530 HIS 564 HD1 193 0.876E+00 -0.682E-01 -0.753E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5055 ILE 642 N 530 LEU 565 N 195 0.917E+00 0.141E+00 -0.219E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5056 ILE 642 N 530 LEU 565 CA 196 0.943E+00 0.383E-01 -0.170E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5057 ILE 642 N 530 LEU 565 CB 199 0.848E+00 0.648E-01 -0.321E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5058 ILE 642 N 530 LEU 565 CG 200 0.736E+00 -0.111E+00 -0.745E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5059 ILE 642 N 530 LEU 565 CD1 201 0.752E+00 0.682E-01 -0.654E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5060 ILE 642 N 530 LEU 565 CD2 202 0.784E+00 0.634E-01 -0.513E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5061 ILE 642 CA 531 ASN 554 CA 82 0.980E+00 -0.364E-02 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5062 ILE 642 CA 531 ASN 554 C 83 0.909E+00 -0.560E-01 -0.172E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5063 ILE 642 CA 531 ASN 554 O 84 0.792E+00 0.599E-01 -0.410E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5064 ILE 642 CA 531 ASN 554 CB 85 0.101E+01 0.731E-02 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5065 ILE 642 CA 531 LEU 555 N 92 0.996E+00 0.280E-01 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5066 ILE 642 CA 531 LEU 555 CA 93 0.975E+00 0.823E-02 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5067 ILE 642 CA 531 LEU 555 C 94 0.959E+00 -0.478E-01 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5068 ILE 642 CA 531 LEU 555 O 95 0.877E+00 0.537E-01 -0.224E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5069 ILE 642 CA 531 LEU 556 C 103 0.969E+00 -0.471E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5070 ILE 642 CA 531 LEU 556 O 104 0.951E+00 0.472E-01 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5071 ILE 642 CA 531 ARG 557 N 110 0.911E+00 0.272E-01 -0.209E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5072 ILE 642 CA 531 ARG 557 CA 111 0.820E+00 0.141E-01 -0.359E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5073 ILE 642 CA 531 ARG 557 C 112 0.691E+00 -0.108E+00 -0.879E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5074 ILE 642 CA 531 ARG 557 O 113 0.654E+00 0.952E-01 -0.129E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5075 ILE 642 CA 531 ARG 557 CB 114 0.818E+00 0.400E-02 -0.365E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5076 ILE 642 CA 531 ARG 557 CG 115 0.953E+00 -0.101E-02 -0.146E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5077 ILE 642 CA 531 ARG 557 CD 116 0.979E+00 -0.102E-01 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5078 ILE 642 CA 531 ARG 557 NE 117 0.101E+01 -0.357E-01 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5079 ILE 642 CA 531 ARG 557 CZ 118 0.100E+01 -0.443E-01 -0.961E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5080 ILE 642 CA 531 ARG 557 NH1 119 0.950E+00 0.581E-01 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5081 ILE 642 CA 531 ALA 558 N 127 0.657E+00 0.660E-01 -0.146E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5082 ILE 642 CA 531 ALA 558 CA 128 0.559E+00 0.644E-02 -0.342E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5083 ILE 642 CA 531 ALA 558 C 129 0.615E+00 -0.106E+00 -0.174E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5084 ILE 642 CA 531 ALA 558 O 130 0.563E+00 0.125E+00 -0.309E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5085 ILE 642 CA 531 ALA 558 CB 131 0.582E+00 0.484E-01 -0.271E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5086 ILE 642 CA 531 ILE 559 N 133 0.749E+00 0.571E-01 -0.673E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5087 ILE 642 CA 531 ILE 559 CA 134 0.844E+00 0.105E-01 -0.302E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5088 ILE 642 CA 531 ILE 559 C 135 0.856E+00 -0.570E-01 -0.247E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5089 ILE 642 CA 531 ILE 559 O 136 0.885E+00 0.587E-01 -0.211E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5090 ILE 642 CA 531 ILE 559 CB 137 0.990E+00 -0.494E-02 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5091 ILE 642 CA 531 ILE 559 CG1 138 0.101E+01 -0.169E-02 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5092 ILE 642 CA 531 GLU 560 N 142 0.862E+00 0.418E-01 -0.290E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5093 ILE 642 CA 531 GLU 560 CA 143 0.910E+00 -0.290E-02 -0.193E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5094 ILE 642 CA 531 GLU 560 C 144 0.816E+00 -0.511E-01 -0.329E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5095 ILE 642 CA 531 GLU 560 O 145 0.871E+00 0.576E-01 -0.232E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5096 ILE 642 CA 531 GLU 560 CB 146 0.959E+00 -0.626E-02 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5097 ILE 642 CA 531 ALA 561 N 152 0.686E+00 0.606E-01 -0.113E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5098 ILE 642 CA 531 ALA 561 CA 153 0.602E+00 0.547E-02 -0.222E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5099 ILE 642 CA 531 ALA 561 C 154 0.624E+00 -0.103E+00 -0.161E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5100 ILE 642 CA 531 ALA 561 O 155 0.680E+00 0.845E-01 -0.102E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5101 ILE 642 CA 531 ALA 561 CB 156 0.462E+00 0.827E-01 -0.950E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5102 ILE 642 CA 531 GLN 562 N 158 0.637E+00 0.673E-01 -0.176E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5103 ILE 642 CA 531 GLN 562 CA 159 0.699E+00 -0.533E-02 -0.927E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5104 ILE 642 CA 531 GLN 562 C 160 0.841E+00 -0.432E-01 -0.273E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5105 ILE 642 CA 531 GLN 562 O 161 0.906E+00 0.516E-01 -0.184E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5106 ILE 642 CA 531 GLN 562 CB 162 0.724E+00 0.431E-02 -0.751E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5107 ILE 642 CA 531 GLN 562 CG 163 0.609E+00 0.381E-02 -0.208E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5108 ILE 642 CA 531 GLN 562 CD 164 0.682E+00 -0.101E+00 -0.956E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5109 ILE 642 CA 531 GLN 562 OE1 165 0.774E+00 0.748E-01 -0.470E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5110 ILE 642 CA 531 GLN 562 NE2 166 0.663E+00 0.141E+00 -0.139E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5111 ILE 642 CA 531 GLN 563 N 170 0.905E+00 0.354E-01 -0.217E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5112 ILE 642 CA 531 GLN 563 CA 171 0.104E+01 -0.274E-02 -0.863E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5113 ILE 642 CA 531 HIS 564 N 182 0.987E+00 0.422E-01 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5114 ILE 642 CA 531 HIS 564 CA 183 0.103E+01 -0.233E-02 -0.925E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5115 ILE 642 CA 531 HIS 564 C 184 0.103E+01 -0.499E-01 -0.824E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5116 ILE 642 CA 531 HIS 564 CB 186 0.964E+00 0.126E-01 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5117 ILE 642 CA 531 HIS 564 CG 187 0.101E+01 -0.214E-01 -0.896E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5118 ILE 642 CA 531 HIS 564 ND1 188 0.991E+00 0.336E-01 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5119 ILE 642 CA 531 HIS 564 HD1 193 0.939E+00 -0.138E-01 -0.488E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5120 ILE 642 CA 531 LEU 565 N 195 0.924E+00 0.314E-01 -0.192E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5121 ILE 642 CA 531 LEU 565 CA 196 0.945E+00 0.862E-02 -0.154E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5122 ILE 642 CA 531 LEU 565 CB 199 0.835E+00 0.150E-01 -0.321E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5123 ILE 642 CA 531 LEU 565 CG 200 0.733E+00 -0.253E-01 -0.700E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5124 ILE 642 CA 531 LEU 565 CD1 201 0.729E+00 0.164E-01 -0.725E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5125 ILE 642 CA 531 LEU 565 CD2 202 0.805E+00 0.137E-01 -0.401E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5126 ILE 642 C 532 ASN 554 CA 82 0.992E+00 0.199E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5127 ILE 642 C 532 ASN 554 C 83 0.928E+00 0.302E+00 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5128 ILE 642 C 532 ASN 554 O 84 0.820E+00 -0.315E+00 -0.296E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5129 ILE 642 C 532 ASN 554 CB 85 0.995E+00 -0.414E-01 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5130 ILE 642 C 532 LEU 555 N 92 0.101E+01 -0.152E+00 -0.971E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5131 ILE 642 C 532 LEU 555 CA 93 0.100E+01 -0.442E-01 -0.972E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5132 ILE 642 C 532 LEU 555 C 94 0.101E+01 0.248E+00 -0.828E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5133 ILE 642 C 532 LEU 555 O 95 0.933E+00 -0.271E+00 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5134 ILE 642 C 532 LEU 556 O 104 0.105E+01 -0.228E+00 -0.683E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5135 ILE 642 C 532 ARG 557 N 110 0.990E+00 -0.134E+00 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5136 ILE 642 C 532 ARG 557 CA 111 0.910E+00 -0.662E-01 -0.171E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5137 ILE 642 C 532 ARG 557 C 112 0.786E+00 0.472E+00 -0.362E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5138 ILE 642 C 532 ARG 557 O 113 0.767E+00 -0.391E+00 -0.442E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5139 ILE 642 C 532 ARG 557 CB 114 0.895E+00 -0.192E-01 -0.189E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5140 ILE 642 C 532 ARG 557 CG 115 0.103E+01 0.501E-02 -0.804E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5141 ILE 642 C 532 ARG 557 CD 116 0.105E+01 0.516E-01 -0.738E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5142 ILE 642 C 532 ARG 557 CZ 118 0.104E+01 0.235E+00 -0.699E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5143 ILE 642 C 532 ARG 557 NH1 119 0.985E+00 -0.307E+00 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5144 ILE 642 C 532 ALA 558 N 127 0.736E+00 -0.296E+00 -0.664E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5145 ILE 642 C 532 ALA 558 CA 128 0.637E+00 -0.271E-01 -0.142E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5146 ILE 642 C 532 ALA 558 C 129 0.708E+00 0.447E+00 -0.674E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5147 ILE 642 C 532 ALA 558 O 130 0.669E+00 -0.487E+00 -0.999E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5148 ILE 642 C 532 ALA 558 CB 131 0.628E+00 -0.230E+00 -0.155E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5149 ILE 642 C 532 ILE 559 N 133 0.839E+00 -0.260E+00 -0.303E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5150 ILE 642 C 532 ILE 559 CA 134 0.942E+00 -0.489E-01 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5151 ILE 642 C 532 ILE 559 C 135 0.971E+00 0.260E+00 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5152 ILE 642 C 532 ILE 559 O 136 0.101E+01 -0.269E+00 -0.870E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5153 ILE 642 C 532 GLU 560 N 142 0.983E+00 -0.190E+00 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5154 ILE 642 C 532 GLU 560 CA 143 0.104E+01 0.132E-01 -0.762E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5155 ILE 642 C 532 GLU 560 C 144 0.955E+00 0.220E+00 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5156 ILE 642 C 532 GLU 560 O 145 0.102E+01 -0.254E+00 -0.824E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5157 ILE 642 C 532 ALA 561 N 152 0.825E+00 -0.241E+00 -0.335E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5158 ILE 642 C 532 ALA 561 CA 153 0.749E+00 -0.198E-01 -0.548E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5159 ILE 642 C 532 ALA 561 C 154 0.766E+00 0.386E+00 -0.423E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5160 ILE 642 C 532 ALA 561 O 155 0.823E+00 -0.332E+00 -0.290E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5161 ILE 642 C 532 ALA 561 CB 156 0.607E+00 -0.246E+00 -0.188E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5162 ILE 642 C 532 GLN 562 N 158 0.768E+00 -0.261E+00 -0.512E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5163 ILE 642 C 532 GLN 562 CA 159 0.820E+00 0.222E-01 -0.317E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5164 ILE 642 C 532 GLN 562 C 160 0.966E+00 0.193E+00 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5165 ILE 642 C 532 GLN 562 O 161 0.103E+01 -0.238E+00 -0.774E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5166 ILE 642 C 532 GLN 562 CB 162 0.828E+00 -0.189E-01 -0.300E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5167 ILE 642 C 532 GLN 562 CG 163 0.699E+00 -0.161E-01 -0.822E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5168 ILE 642 C 532 GLN 562 CD 164 0.748E+00 0.473E+00 -0.490E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5169 ILE 642 C 532 GLN 562 OE1 165 0.840E+00 -0.362E+00 -0.256E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5170 ILE 642 C 532 GLN 562 NE2 166 0.707E+00 -0.695E+00 -0.841E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5171 ILE 642 C 532 GLN 563 N 170 0.104E+01 -0.161E+00 -0.861E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5172 ILE 642 C 532 LEU 565 CB 199 0.947E+00 -0.684E-01 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5173 ILE 642 C 532 LEU 565 CG 200 0.837E+00 0.111E+00 -0.282E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5174 ILE 642 C 532 LEU 565 CD1 201 0.811E+00 -0.753E-01 -0.340E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5175 ILE 642 C 532 LEU 565 CD2 202 0.905E+00 -0.627E-01 -0.176E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5176 ILE 642 O 533 ASN 554 CA 82 0.915E+00 -0.246E-01 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5177 ILE 642 O 533 ASN 554 C 83 0.849E+00 -0.381E+00 -0.241E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5178 ILE 642 O 533 ASN 554 O 84 0.748E+00 0.404E+00 -0.523E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5179 ILE 642 O 533 ASN 554 CB 85 0.906E+00 0.521E-01 -0.183E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5180 ILE 642 O 533 ASN 554 CG 86 0.989E+00 -0.283E+00 -0.965E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5181 ILE 642 O 533 ASN 554 OD1 87 0.987E+00 0.256E+00 -0.989E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5182 ILE 642 O 533 LEU 555 N 92 0.931E+00 0.189E+00 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5183 ILE 642 O 533 LEU 555 CA 93 0.917E+00 0.549E-01 -0.171E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5184 ILE 642 O 533 LEU 555 C 94 0.938E+00 -0.301E+00 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5185 ILE 642 O 533 LEU 555 O 95 0.872E+00 0.329E+00 -0.208E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5186 ILE 642 O 533 LEU 555 CB 96 0.104E+01 0.651E-01 -0.815E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5187 ILE 642 O 533 LEU 555 CD2 99 0.951E+00 0.632E-01 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5188 ILE 642 O 533 LEU 556 N 101 0.105E+01 0.159E+00 -0.840E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5189 ILE 642 O 533 LEU 556 C 103 0.102E+01 -0.267E+00 -0.820E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5190 ILE 642 O 533 LEU 556 O 104 0.102E+01 0.258E+00 -0.810E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5191 ILE 642 O 533 ARG 557 N 110 0.952E+00 0.155E+00 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5192 ILE 642 O 533 ARG 557 CA 111 0.887E+00 0.752E-01 -0.209E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5193 ILE 642 O 533 ARG 557 C 112 0.767E+00 -0.537E+00 -0.440E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5194 ILE 642 O 533 ARG 557 O 113 0.765E+00 0.427E+00 -0.455E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5195 ILE 642 O 533 ARG 557 CB 114 0.871E+00 0.219E-01 -0.233E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5196 ILE 642 O 533 ARG 557 CG 115 0.101E+01 -0.562E-02 -0.947E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5197 ILE 642 O 533 ARG 557 CD 116 0.103E+01 -0.576E-01 -0.858E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5198 ILE 642 O 533 ARG 557 NE 117 0.103E+01 -0.212E+00 -0.917E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5199 ILE 642 O 533 ARG 557 CZ 118 0.100E+01 -0.269E+00 -0.889E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5200 ILE 642 O 533 ARG 557 NH1 119 0.965E+00 0.345E+00 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5201 ILE 642 O 533 ARG 557 NH2 120 0.104E+01 0.308E+00 -0.859E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5202 ILE 642 O 533 ALA 558 N 127 0.699E+00 0.355E+00 -0.932E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5203 ILE 642 O 533 ALA 558 CA 128 0.602E+00 0.333E-01 -0.209E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5204 ILE 642 O 533 ALA 558 C 129 0.685E+00 -0.519E+00 -0.862E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5205 ILE 642 O 533 ALA 558 O 130 0.663E+00 0.541E+00 -0.107E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5206 ILE 642 O 533 ALA 558 CB 131 0.566E+00 0.312E+00 -0.298E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5207 ILE 642 O 533 ILE 559 N 133 0.810E+00 0.301E+00 -0.388E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5208 ILE 642 O 533 ILE 559 CA 134 0.921E+00 0.551E-01 -0.167E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5209 ILE 642 O 533 ILE 559 C 135 0.968E+00 -0.285E+00 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5210 ILE 642 O 533 ILE 559 O 136 0.101E+01 0.290E+00 -0.845E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5211 ILE 642 O 533 ILE 559 CB 137 0.105E+01 -0.276E-01 -0.760E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5212 ILE 642 O 533 ILE 559 CG1 138 0.104E+01 -0.990E-02 -0.802E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5213 ILE 642 O 533 GLU 560 N 142 0.983E+00 0.207E+00 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5214 ILE 642 O 533 GLU 560 C 144 0.985E+00 -0.229E+00 -0.989E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5215 ILE 642 O 533 ALA 561 N 152 0.855E+00 0.247E+00 -0.280E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5216 ILE 642 O 533 ALA 561 CA 153 0.797E+00 0.192E-01 -0.395E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5217 ILE 642 O 533 ALA 561 C 154 0.818E+00 -0.374E+00 -0.300E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5218 ILE 642 O 533 ALA 561 O 155 0.887E+00 0.318E+00 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5219 ILE 642 O 533 ALA 561 CB 156 0.657E+00 0.228E+00 -0.125E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5220 ILE 642 O 533 GLN 562 N 158 0.804E+00 0.262E+00 -0.404E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5221 ILE 642 O 533 GLN 562 CA 159 0.857E+00 -0.225E-01 -0.256E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5222 ILE 642 O 533 GLN 562 C 160 0.101E+01 -0.198E+00 -0.868E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5223 ILE 642 O 533 GLN 562 CB 162 0.846E+00 0.199E-01 -0.277E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5224 ILE 642 O 533 GLN 562 CG 163 0.710E+00 0.170E-01 -0.786E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5225 ILE 642 O 533 GLN 562 CD 164 0.738E+00 -0.529E+00 -0.557E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5226 ILE 642 O 533 GLN 562 OE1 165 0.819E+00 0.411E+00 -0.302E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5227 ILE 642 O 533 GLN 562 NE2 166 0.693E+00 0.786E+00 -0.982E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5228 ILE 642 O 533 LEU 565 CB 199 0.102E+01 0.665E-01 -0.891E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5229 ILE 642 O 533 LEU 565 CG 200 0.922E+00 -0.104E+00 -0.166E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5230 ILE 642 O 533 LEU 565 CD1 201 0.889E+00 0.704E-01 -0.206E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5231 ILE 642 O 533 LEU 565 CD2 202 0.100E+01 0.585E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5232 ILE 642 CB 534 ASN 554 C 83 0.985E+00 0.301E-01 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5233 ILE 642 CB 534 ASN 554 O 84 0.867E+00 -0.312E-01 -0.240E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5234 ILE 642 CB 534 LEU 555 CA 93 0.102E+01 -0.470E-02 -0.994E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5235 ILE 642 CB 534 LEU 555 C 94 0.991E+00 0.277E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5236 ILE 642 CB 534 LEU 555 O 95 0.895E+00 -0.315E-01 -0.197E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5237 ILE 642 CB 534 LEU 556 C 103 0.100E+01 0.273E-01 -0.964E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5238 ILE 642 CB 534 LEU 556 O 104 0.967E+00 -0.279E-01 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5239 ILE 642 CB 534 ARG 557 N 110 0.962E+00 -0.152E-01 -0.151E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5240 ILE 642 CB 534 ARG 557 CA 111 0.877E+00 -0.766E-02 -0.241E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5241 ILE 642 CB 534 ARG 557 C 112 0.735E+00 0.581E-01 -0.610E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5242 ILE 642 CB 534 ARG 557 O 113 0.684E+00 -0.528E-01 -0.980E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5243 ILE 642 CB 534 ARG 557 CB 114 0.900E+00 -0.208E-02 -0.207E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5244 ILE 642 CB 534 ARG 557 CG 115 0.104E+01 0.541E-03 -0.872E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5245 ILE 642 CB 534 ALA 558 N 127 0.698E+00 -0.356E-01 -0.102E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5246 ILE 642 CB 534 ALA 558 CA 128 0.580E+00 -0.361E-02 -0.277E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5247 ILE 642 CB 534 ALA 558 C 129 0.599E+00 0.684E-01 -0.203E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5248 ILE 642 CB 534 ALA 558 O 130 0.523E+00 -0.903E-01 -0.474E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5249 ILE 642 CB 534 ALA 558 CB 131 0.604E+00 -0.272E-01 -0.219E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5250 ILE 642 CB 534 ILE 559 N 133 0.730E+00 -0.364E-01 -0.784E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5251 ILE 642 CB 534 ILE 559 CA 134 0.803E+00 -0.693E-02 -0.408E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5252 ILE 642 CB 534 ILE 559 C 135 0.812E+00 0.379E-01 -0.339E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5253 ILE 642 CB 534 ILE 559 O 136 0.822E+00 -0.404E-01 -0.328E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5254 ILE 642 CB 534 ILE 559 CB 137 0.954E+00 0.317E-02 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5255 ILE 642 CB 534 ILE 559 CG1 138 0.980E+00 0.108E-02 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5256 ILE 642 CB 534 ILE 559 CG2 139 0.105E+01 -0.581E-02 -0.841E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5257 ILE 642 CB 534 GLU 560 N 142 0.839E+00 -0.266E-01 -0.343E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5258 ILE 642 CB 534 GLU 560 CA 143 0.885E+00 0.184E-02 -0.227E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5259 ILE 642 CB 534 GLU 560 C 144 0.783E+00 0.334E-01 -0.420E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5260 ILE 642 CB 534 GLU 560 O 145 0.825E+00 -0.384E-01 -0.321E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5261 ILE 642 CB 534 GLU 560 CB 146 0.957E+00 0.382E-02 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5262 ILE 642 CB 534 ALA 561 N 152 0.662E+00 -0.395E-01 -0.140E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5263 ILE 642 CB 534 ALA 561 CA 153 0.569E+00 -0.375E-02 -0.307E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5264 ILE 642 CB 534 ALA 561 C 154 0.553E+00 0.816E-01 -0.322E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5265 ILE 642 CB 534 ALA 561 O 155 0.598E+00 -0.670E-01 -0.219E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5266 ILE 642 CB 534 ALA 561 CB 156 0.451E+00 -0.532E-01 -0.106E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5267 ILE 642 CB 534 GLN 562 N 158 0.554E+00 -0.553E-01 -0.396E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5268 ILE 642 CB 534 GLN 562 CA 159 0.590E+00 0.460E-02 -0.252E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5269 ILE 642 CB 534 GLN 562 C 160 0.731E+00 0.337E-01 -0.630E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5270 ILE 642 CB 534 GLN 562 O 161 0.783E+00 -0.401E-01 -0.438E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5271 ILE 642 CB 534 GLN 562 CB 162 0.612E+00 -0.367E-02 -0.203E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5272 ILE 642 CB 534 GLN 562 CG 163 0.494E+00 -0.372E-02 -0.678E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5273 ILE 642 CB 534 GLN 562 CD 164 0.571E+00 0.890E-01 -0.268E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5274 ILE 642 CB 534 GLN 562 OE1 165 0.676E+00 -0.587E-01 -0.105E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5275 ILE 642 CB 534 GLN 562 NE2 166 0.546E+00 -0.130E+00 -0.430E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5276 ILE 642 CB 534 GLN 563 N 170 0.811E+00 -0.258E-01 -0.419E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5277 ILE 642 CB 534 GLN 563 CA 171 0.946E+00 0.192E-02 -0.153E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5278 ILE 642 CB 534 GLN 563 C 172 0.963E+00 0.211E-01 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5279 ILE 642 CB 534 GLN 563 CB 174 0.103E+01 -0.146E-02 -0.908E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5280 ILE 642 CB 534 HIS 564 N 182 0.902E+00 -0.295E-01 -0.221E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5281 ILE 642 CB 534 HIS 564 CA 183 0.946E+00 0.161E-02 -0.153E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5282 ILE 642 CB 534 HIS 564 C 184 0.930E+00 0.353E-01 -0.150E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5283 ILE 642 CB 534 HIS 564 O 185 0.103E+01 -0.240E-01 -0.832E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5284 ILE 642 CB 534 HIS 564 CB 186 0.898E+00 -0.856E-02 -0.209E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5285 ILE 642 CB 534 HIS 564 CG 187 0.966E+00 0.140E-01 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5286 ILE 642 CB 534 HIS 564 ND1 188 0.963E+00 -0.213E-01 -0.150E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5287 ILE 642 CB 534 HIS 564 HD1 193 0.918E+00 0.870E-02 -0.561E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5288 ILE 642 CB 534 LEU 565 N 195 0.816E+00 -0.234E-01 -0.403E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5289 ILE 642 CB 534 LEU 565 CA 196 0.823E+00 -0.657E-02 -0.351E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5290 ILE 642 CB 534 LEU 565 C 197 0.943E+00 0.299E-01 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5291 ILE 642 CB 534 LEU 565 O 198 0.103E+01 -0.253E-01 -0.832E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5292 ILE 642 CB 534 LEU 565 CB 199 0.703E+00 -0.125E-01 -0.899E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5293 ILE 642 CB 534 LEU 565 CG 200 0.602E+00 0.228E-01 -0.224E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5294 ILE 642 CB 534 LEU 565 CD1 201 0.584E+00 -0.156E-01 -0.266E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5295 ILE 642 CB 534 LEU 565 CD2 202 0.686E+00 -0.112E-01 -0.103E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5296 ILE 642 CB 534 LEU 566 N 204 0.967E+00 -0.178E-01 -0.146E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5297 ILE 642 CG1 535 ASN 554 C 83 0.991E+00 0.106E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5298 ILE 642 CG1 535 ASN 554 O 84 0.869E+00 -0.110E-01 -0.235E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5299 ILE 642 CG1 535 LEU 555 CA 93 0.101E+01 -0.168E-02 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5300 ILE 642 CG1 535 LEU 555 C 94 0.966E+00 0.102E-01 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5301 ILE 642 CG1 535 LEU 555 O 95 0.863E+00 -0.119E-01 -0.246E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5302 ILE 642 CG1 535 LEU 556 C 103 0.938E+00 0.107E-01 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5303 ILE 642 CG1 535 LEU 556 O 104 0.889E+00 -0.113E-01 -0.205E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5304 ILE 642 CG1 535 ARG 557 N 110 0.909E+00 -0.589E-02 -0.212E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5305 ILE 642 CG1 535 ARG 557 CA 111 0.817E+00 -0.306E-02 -0.368E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5306 ILE 642 CG1 535 ARG 557 C 112 0.673E+00 0.244E-01 -0.103E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5307 ILE 642 CG1 535 ARG 557 O 113 0.603E+00 -0.243E-01 -0.208E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5308 ILE 642 CG1 535 ARG 557 CB 114 0.856E+00 -0.799E-03 -0.278E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5309 ILE 642 CG1 535 ARG 557 CG 115 0.990E+00 0.206E-03 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5310 ILE 642 CG1 535 ARG 557 CD 116 0.105E+01 0.200E-02 -0.837E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5311 ILE 642 CG1 535 ALA 558 N 127 0.655E+00 -0.143E-01 -0.149E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5312 ILE 642 CG1 535 ALA 558 CA 128 0.542E+00 -0.149E-02 -0.408E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5313 ILE 642 CG1 535 ALA 558 C 129 0.535E+00 0.313E-01 -0.389E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5314 ILE 642 CG1 535 ALA 558 O 130 0.441E+00 -0.483E-01 -0.119E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5315 ILE 642 CG1 535 ALA 558 CB 131 0.598E+00 -0.983E-02 -0.231E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5316 ILE 642 CG1 535 ILE 559 N 133 0.661E+00 -0.157E-01 -0.141E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5317 ILE 642 CG1 535 ILE 559 CA 134 0.718E+00 -0.301E-02 -0.792E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5318 ILE 642 CG1 535 ILE 559 C 135 0.704E+00 0.174E-01 -0.788E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5319 ILE 642 CG1 535 ILE 559 O 136 0.704E+00 -0.190E-01 -0.827E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5320 ILE 642 CG1 535 ILE 559 CB 137 0.874E+00 0.129E-02 -0.245E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5321 ILE 642 CG1 535 ILE 559 CG1 138 0.921E+00 0.422E-03 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5322 ILE 642 CG1 535 ILE 559 CG2 139 0.954E+00 -0.236E-02 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5323 ILE 642 CG1 535 GLU 560 N 142 0.729E+00 -0.122E-01 -0.793E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5324 ILE 642 CG1 535 GLU 560 CA 143 0.761E+00 0.848E-03 -0.560E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5325 ILE 642 CG1 535 GLU 560 C 144 0.649E+00 0.169E-01 -0.128E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5326 ILE 642 CG1 535 GLU 560 O 145 0.682E+00 -0.193E-01 -0.998E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5327 ILE 642 CG1 535 GLU 560 CB 146 0.838E+00 0.168E-02 -0.316E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5328 ILE 642 CG1 535 GLU 560 CG 147 0.969E+00 -0.603E-03 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5329 ILE 642 CG1 535 GLU 560 OE1 149 0.104E+01 -0.131E-01 -0.786E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5330 ILE 642 CG1 535 ALA 561 N 152 0.533E+00 -0.224E-01 -0.492E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5331 ILE 642 CG1 535 ALA 561 CA 153 0.431E+00 -0.259E-02 -0.130E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5332 ILE 642 CG1 535 ALA 561 C 154 0.406E+00 0.612E-01 -0.142E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5333 ILE 642 CG1 535 ALA 561 O 155 0.449E+00 -0.462E-01 -0.109E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5334 ILE 642 CG1 535 ALA 561 CB 156 0.328E+00 -0.438E-01 0.206E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5335 ILE 642 CG1 535 GLN 562 N 158 0.419E+00 -0.384E-01 -0.166E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5336 ILE 642 CG1 535 GLN 562 CA 159 0.464E+00 0.283E-02 -0.926E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5337 ILE 642 CG1 535 GLN 562 C 160 0.601E+00 0.177E-01 -0.200E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5338 ILE 642 CG1 535 GLN 562 O 161 0.658E+00 -0.198E-01 -0.123E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5339 ILE 642 CG1 535 GLN 562 CB 162 0.512E+00 -0.194E-02 -0.558E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5340 ILE 642 CG1 535 GLN 562 CG 163 0.419E+00 -0.198E-02 -0.145E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5341 ILE 642 CG1 535 GLN 562 CD 164 0.527E+00 0.378E-01 -0.420E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5342 ILE 642 CG1 535 GLN 562 OE1 165 0.628E+00 -0.242E-01 -0.163E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5343 ILE 642 CG1 535 GLN 562 NE2 166 0.533E+00 -0.488E-01 -0.491E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5344 ILE 642 CG1 535 GLN 563 N 170 0.675E+00 -0.129E-01 -0.125E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5345 ILE 642 CG1 535 GLN 563 CA 171 0.808E+00 0.882E-03 -0.393E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5346 ILE 642 CG1 535 GLN 563 C 172 0.819E+00 0.975E-02 -0.321E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5347 ILE 642 CG1 535 GLN 563 O 173 0.910E+00 -0.110E-01 -0.179E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5348 ILE 642 CG1 535 GLN 563 CB 174 0.893E+00 -0.645E-03 -0.216E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5349 ILE 642 CG1 535 GLN 563 CG 175 0.104E+01 -0.320E-03 -0.877E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5350 ILE 642 CG1 535 HIS 564 N 182 0.755E+00 -0.142E-01 -0.642E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5351 ILE 642 CG1 535 HIS 564 CA 183 0.799E+00 0.753E-03 -0.418E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5352 ILE 642 CG1 535 HIS 564 C 184 0.791E+00 0.164E-01 -0.395E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5353 ILE 642 CG1 535 HIS 564 O 185 0.899E+00 -0.105E-01 -0.192E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5354 ILE 642 CG1 535 HIS 564 CB 186 0.752E+00 -0.412E-02 -0.600E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5355 ILE 642 CG1 535 HIS 564 CG 187 0.820E+00 0.646E-02 -0.319E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5356 ILE 642 CG1 535 HIS 564 ND1 188 0.822E+00 -0.978E-02 -0.386E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5357 ILE 642 CG1 535 HIS 564 CD2 189 0.918E+00 -0.574E-02 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5358 ILE 642 CG1 535 HIS 564 CE1 190 0.913E+00 0.505E-03 -0.167E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5359 ILE 642 CG1 535 HIS 564 NE2 191 0.966E+00 -0.175E-02 -0.147E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5360 ILE 642 CG1 535 HIS 564 HD1 193 0.782E+00 0.404E-02 -0.147E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5361 ILE 642 CG1 535 LEU 565 N 195 0.682E+00 -0.116E-01 -0.117E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5362 ILE 642 CG1 535 LEU 565 CA 196 0.704E+00 -0.310E-02 -0.893E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5363 ILE 642 CG1 535 LEU 565 C 197 0.827E+00 0.131E-01 -0.303E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5364 ILE 642 CG1 535 LEU 565 O 198 0.925E+00 -0.106E-01 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5365 ILE 642 CG1 535 LEU 565 CB 199 0.595E+00 -0.623E-02 -0.239E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5366 ILE 642 CG1 535 LEU 565 CG 200 0.510E+00 0.118E-01 -0.571E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5367 ILE 642 CG1 535 LEU 565 CD1 201 0.523E+00 -0.711E-02 -0.498E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5368 ILE 642 CG1 535 LEU 565 CD2 202 0.603E+00 -0.517E-02 -0.221E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5369 ILE 642 CG1 535 LEU 566 N 204 0.847E+00 -0.781E-02 -0.324E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5370 ILE 642 CG1 535 LEU 566 CA 205 0.979E+00 -0.176E-02 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5371 ILE 642 CG1 535 LEU 566 CB 208 0.101E+01 -0.241E-02 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5372 ILE 642 CG1 535 LEU 566 CG 209 0.990E+00 0.330E-02 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5373 ILE 642 CG1 535 LEU 566 CD1 210 0.100E+01 -0.207E-02 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5374 ILE 642 CG1 535 LEU 568 CG 230 0.103E+01 0.310E-02 -0.903E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5375 ILE 642 CG1 535 LEU 568 CD1 231 0.951E+00 -0.224E-02 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5376 ILE 642 CG2 536 ASN 554 CA 82 0.104E+01 -0.426E-02 -0.880E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5377 ILE 642 CG2 536 ASN 554 C 83 0.935E+00 -0.682E-01 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5378 ILE 642 CG2 536 ASN 554 O 84 0.822E+00 0.716E-01 -0.329E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5379 ILE 642 CG2 536 LEU 555 N 92 0.993E+00 0.359E-01 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5380 ILE 642 CG2 536 LEU 555 CA 93 0.938E+00 0.111E-01 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5381 ILE 642 CG2 536 LEU 555 C 94 0.922E+00 -0.648E-01 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5382 ILE 642 CG2 536 LEU 555 O 95 0.824E+00 0.759E-01 -0.324E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5383 ILE 642 CG2 536 LEU 555 CB 96 0.105E+01 0.134E-01 -0.827E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5384 ILE 642 CG2 536 LEU 555 CD2 99 0.995E+00 0.124E-01 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5385 ILE 642 CG2 536 LEU 556 N 101 0.103E+01 0.339E-01 -0.996E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5386 ILE 642 CG2 536 LEU 556 C 103 0.969E+00 -0.600E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5387 ILE 642 CG2 536 LEU 556 O 104 0.939E+00 0.613E-01 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5388 ILE 642 CG2 536 ARG 557 N 110 0.941E+00 0.330E-01 -0.172E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5389 ILE 642 CG2 536 ARG 557 CA 111 0.876E+00 0.161E-01 -0.242E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5390 ILE 642 CG2 536 ARG 557 C 112 0.730E+00 -0.124E+00 -0.638E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5391 ILE 642 CG2 536 ARG 557 O 113 0.694E+00 0.108E+00 -0.905E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5392 ILE 642 CG2 536 ARG 557 CB 114 0.912E+00 0.426E-02 -0.190E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5393 ILE 642 CG2 536 ALA 558 N 127 0.668E+00 0.813E-01 -0.132E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5394 ILE 642 CG2 536 ALA 558 CA 128 0.535E+00 0.906E-02 -0.438E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5395 ILE 642 CG2 536 ALA 558 C 129 0.546E+00 -0.176E+00 -0.344E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5396 ILE 642 CG2 536 ALA 558 O 130 0.477E+00 0.236E+00 -0.790E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5397 ILE 642 CG2 536 ALA 558 CB 131 0.528E+00 0.766E-01 -0.469E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5398 ILE 642 CG2 536 ILE 559 N 133 0.670E+00 0.901E-01 -0.130E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5399 ILE 642 CG2 536 ILE 559 CA 134 0.741E+00 0.168E-01 -0.657E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5400 ILE 642 CG2 536 ILE 559 C 135 0.775E+00 -0.862E-01 -0.445E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5401 ILE 642 CG2 536 ILE 559 O 136 0.790E+00 0.907E-01 -0.416E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5402 ILE 642 CG2 536 ILE 559 CB 137 0.884E+00 -0.749E-02 -0.228E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5403 ILE 642 CG2 536 ILE 559 CG1 138 0.891E+00 -0.263E-02 -0.219E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5404 ILE 642 CG2 536 ILE 559 CG2 139 0.977E+00 0.134E-01 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5405 ILE 642 CG2 536 ILE 559 CD1 140 0.103E+01 0.962E-02 -0.897E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5406 ILE 642 CG2 536 GLU 560 N 142 0.820E+00 0.580E-01 -0.390E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5407 ILE 642 CG2 536 GLU 560 CA 143 0.888E+00 -0.384E-02 -0.222E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5408 ILE 642 CG2 536 GLU 560 C 144 0.803E+00 -0.669E-01 -0.361E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5409 ILE 642 CG2 536 GLU 560 O 145 0.854E+00 0.759E-01 -0.261E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5410 ILE 642 CG2 536 GLU 560 CB 146 0.972E+00 -0.783E-02 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5411 ILE 642 CG2 536 ALA 561 N 152 0.687E+00 0.769E-01 -0.112E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5412 ILE 642 CG2 536 ALA 561 CA 153 0.619E+00 0.658E-02 -0.190E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5413 ILE 642 CG2 536 ALA 561 C 154 0.588E+00 -0.149E+00 -0.226E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5414 ILE 642 CG2 536 ALA 561 O 155 0.647E+00 0.119E+00 -0.137E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5415 ILE 642 CG2 536 ALA 561 CB 156 0.513E+00 0.821E-01 -0.553E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5416 ILE 642 CG2 536 GLN 562 N 158 0.554E+00 0.116E+00 -0.395E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5417 ILE 642 CG2 536 GLN 562 CA 159 0.573E+00 -0.103E-01 -0.296E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5418 ILE 642 CG2 536 GLN 562 C 160 0.721E+00 -0.726E-01 -0.686E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5419 ILE 642 CG2 536 GLN 562 O 161 0.774E+00 0.857E-01 -0.470E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5420 ILE 642 CG2 536 GLN 562 CB 162 0.557E+00 0.945E-02 -0.348E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5421 ILE 642 CG2 536 GLN 562 CG 163 0.419E+00 0.117E-01 -0.145E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5422 ILE 642 CG2 536 GLN 562 CD 164 0.463E+00 -0.305E+00 -0.834E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5423 ILE 642 CG2 536 GLN 562 OE1 165 0.566E+00 0.179E+00 -0.301E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5424 ILE 642 CG2 536 GLN 562 NE2 166 0.421E+00 0.511E+00 -0.163E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5425 ILE 642 CG2 536 GLN 563 N 170 0.803E+00 0.551E-01 -0.444E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5426 ILE 642 CG2 536 GLN 563 CA 171 0.943E+00 -0.404E-02 -0.156E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5427 ILE 642 CG2 536 GLN 563 C 172 0.980E+00 -0.431E-01 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5428 ILE 642 CG2 536 GLN 563 CB 174 0.103E+01 0.307E-02 -0.929E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5429 ILE 642 CG2 536 HIS 564 N 182 0.938E+00 0.581E-01 -0.175E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5430 ILE 642 CG2 536 HIS 564 CA 183 0.100E+01 -0.310E-02 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5431 ILE 642 CG2 536 HIS 564 C 184 0.984E+00 -0.678E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5432 ILE 642 CG2 536 HIS 564 CB 186 0.970E+00 0.159E-01 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5433 ILE 642 CG2 536 HIS 564 CG 187 0.104E+01 -0.263E-01 -0.774E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5434 ILE 642 CG2 536 HIS 564 ND1 188 0.105E+01 0.396E-01 -0.909E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5435 ILE 642 CG2 536 HIS 564 HD1 193 0.101E+01 -0.157E-01 -0.312E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5436 ILE 642 CG2 536 LEU 565 N 195 0.865E+00 0.445E-01 -0.284E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5437 ILE 642 CG2 536 LEU 565 CA 196 0.867E+00 0.126E-01 -0.258E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5438 ILE 642 CG2 536 LEU 565 C 197 0.969E+00 -0.600E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5439 ILE 642 CG2 536 LEU 565 CB 199 0.736E+00 0.240E-01 -0.683E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5440 ILE 642 CG2 536 LEU 565 CG 200 0.653E+00 -0.404E-01 -0.139E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5441 ILE 642 CG2 536 LEU 565 CD1 201 0.612E+00 0.296E-01 -0.203E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5442 ILE 642 CG2 536 LEU 565 CD2 202 0.759E+00 0.194E-01 -0.569E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5443 ILE 642 CG2 536 LEU 566 N 204 0.977E+00 0.367E-01 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5444 ILE 642 CD1 537 ASN 554 O 84 0.985E+00 0.416E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5445 ILE 642 CD1 537 LEU 555 C 94 0.105E+01 -0.416E-01 -0.732E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5446 ILE 642 CD1 537 LEU 555 O 95 0.937E+00 0.479E-01 -0.151E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5447 ILE 642 CD1 537 LEU 556 C 103 0.102E+01 -0.435E-01 -0.883E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5448 ILE 642 CD1 537 LEU 556 O 104 0.954E+00 0.465E-01 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5449 ILE 642 CD1 537 ARG 557 N 110 0.100E+01 0.233E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5450 ILE 642 CD1 537 ARG 557 CA 111 0.916E+00 0.116E-01 -0.185E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5451 ILE 642 CD1 537 ARG 557 C 112 0.770E+00 -0.869E-01 -0.462E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5452 ILE 642 CD1 537 ARG 557 O 113 0.690E+00 0.846E-01 -0.932E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5453 ILE 642 CD1 537 ARG 557 CB 114 0.973E+00 0.299E-02 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5454 ILE 642 CD1 537 ALA 558 N 127 0.753E+00 0.502E-01 -0.651E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5455 ILE 642 CD1 537 ALA 558 CA 128 0.633E+00 0.488E-02 -0.166E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5456 ILE 642 CD1 537 ALA 558 C 129 0.593E+00 -0.114E+00 -0.217E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5457 ILE 642 CD1 537 ALA 558 O 130 0.481E+00 0.179E+00 -0.752E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5458 ILE 642 CD1 537 ALA 558 CB 131 0.689E+00 0.338E-01 -0.101E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5459 ILE 642 CD1 537 ILE 559 N 133 0.706E+00 0.632E-01 -0.956E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5460 ILE 642 CD1 537 ILE 559 CA 134 0.734E+00 0.133E-01 -0.695E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5461 ILE 642 CD1 537 ILE 559 C 135 0.712E+00 -0.785E-01 -0.741E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5462 ILE 642 CD1 537 ILE 559 O 136 0.686E+00 0.918E-01 -0.967E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5463 ILE 642 CD1 537 ILE 559 CB 137 0.891E+00 -0.576E-02 -0.219E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5464 ILE 642 CD1 537 ILE 559 CG1 138 0.941E+00 -0.187E-02 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5465 ILE 642 CD1 537 ILE 559 CG2 139 0.949E+00 0.109E-01 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5466 ILE 642 CD1 537 GLU 560 N 142 0.755E+00 0.523E-01 -0.643E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5467 ILE 642 CD1 537 GLU 560 CA 143 0.779E+00 -0.373E-02 -0.486E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5468 ILE 642 CD1 537 GLU 560 C 144 0.660E+00 -0.753E-01 -0.116E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5469 ILE 642 CD1 537 GLU 560 O 145 0.671E+00 0.919E-01 -0.111E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5470 ILE 642 CD1 537 GLU 560 CB 146 0.875E+00 -0.717E-02 -0.243E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5471 ILE 642 CD1 537 GLU 560 CG 147 0.101E+01 0.260E-02 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5472 ILE 642 CD1 537 ALA 561 N 152 0.563E+00 0.906E-01 -0.359E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5473 ILE 642 CD1 537 ALA 561 CA 153 0.455E+00 0.103E-01 -0.102E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5474 ILE 642 CD1 537 ALA 561 C 154 0.380E+00 -0.335E+00 -0.157E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5475 ILE 642 CD1 537 ALA 561 O 155 0.392E+00 0.300E+00 -0.200E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5476 ILE 642 CD1 537 ALA 561 CB 156 0.399E+00 0.119E+00 -0.168E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5477 ILE 642 CD1 537 GLN 562 N 158 0.383E+00 0.223E+00 -0.217E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5478 ILE 642 CD1 537 GLN 562 CA 159 0.384E+00 -0.212E-01 -0.177E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5479 ILE 642 CD1 537 GLN 562 C 160 0.510E+00 -0.118E+00 -0.507E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5480 ILE 642 CD1 537 GLN 562 O 161 0.545E+00 0.136E+00 -0.372E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5481 ILE 642 CD1 537 GLN 562 CB 162 0.439E+00 0.129E-01 -0.120E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5482 ILE 642 CD1 537 GLN 562 CG 163 0.361E+00 0.134E-01 -0.151E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5483 ILE 642 CD1 537 GLN 562 CD 164 0.481E+00 -0.216E+00 -0.691E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5484 ILE 642 CD1 537 GLN 562 OE1 165 0.591E+00 0.127E+00 -0.234E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5485 ILE 642 CD1 537 GLN 562 NE2 166 0.484E+00 0.281E+00 -0.833E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5486 ILE 642 CD1 537 GLN 563 N 170 0.605E+00 0.741E-01 -0.237E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5487 ILE 642 CD1 537 GLN 563 CA 171 0.732E+00 -0.484E-02 -0.708E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5488 ILE 642 CD1 537 GLN 563 C 172 0.735E+00 -0.543E-01 -0.610E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5489 ILE 642 CD1 537 GLN 563 O 173 0.814E+00 0.610E-01 -0.349E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5490 ILE 642 CD1 537 GLN 563 CB 174 0.836E+00 0.330E-02 -0.319E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5491 ILE 642 CD1 537 GLN 563 CG 175 0.974E+00 0.161E-02 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5492 ILE 642 CD1 537 GLN 563 CD 176 0.102E+01 -0.503E-01 -0.857E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5493 ILE 642 CD1 537 GLN 563 OE1 177 0.992E+00 0.494E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5494 ILE 642 CD1 537 HIS 564 N 182 0.683E+00 0.789E-01 -0.116E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5495 ILE 642 CD1 537 HIS 564 CA 183 0.723E+00 -0.415E-02 -0.758E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5496 ILE 642 CD1 537 HIS 564 C 184 0.693E+00 -0.962E-01 -0.868E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5497 ILE 642 CD1 537 HIS 564 O 185 0.795E+00 0.595E-01 -0.401E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5498 ILE 642 CD1 537 HIS 564 CB 186 0.697E+00 0.218E-01 -0.944E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5499 ILE 642 CD1 537 HIS 564 CG 187 0.787E+00 -0.319E-01 -0.407E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5500 ILE 642 CD1 537 HIS 564 ND1 188 0.812E+00 0.459E-01 -0.416E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5501 ILE 642 CD1 537 HIS 564 CD2 189 0.885E+00 0.280E-01 -0.202E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5502 ILE 642 CD1 537 HIS 564 CE1 190 0.913E+00 -0.232E-02 -0.168E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5503 ILE 642 CD1 537 HIS 564 NE2 191 0.951E+00 0.821E-02 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5504 ILE 642 CD1 537 HIS 564 HD1 193 0.779E+00 -0.187E-01 -0.150E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5505 ILE 642 CD1 537 LEU 565 N 195 0.573E+00 0.765E-01 -0.325E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5506 ILE 642 CD1 537 LEU 565 CA 196 0.575E+00 0.216E-01 -0.290E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5507 ILE 642 CD1 537 LEU 565 C 197 0.691E+00 -0.836E-01 -0.880E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5508 ILE 642 CD1 537 LEU 565 O 198 0.786E+00 0.641E-01 -0.430E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5509 ILE 642 CD1 537 LEU 565 CB 199 0.455E+00 0.533E-01 -0.103E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5510 ILE 642 CD1 537 LEU 565 CG 200 0.372E+00 -0.120E+00 -0.172E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5511 ILE 642 CD1 537 LEU 565 CD1 201 0.377E+00 0.737E-01 -0.177E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5512 ILE 642 CD1 537 LEU 565 CD2 202 0.482E+00 0.395E-01 -0.768E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5513 ILE 642 CD1 537 LEU 566 N 204 0.715E+00 0.486E-01 -0.889E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5514 ILE 642 CD1 537 LEU 566 CA 205 0.845E+00 0.102E-01 -0.300E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5515 ILE 642 CD1 537 LEU 566 C 206 0.961E+00 -0.473E-01 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5516 ILE 642 CD1 537 LEU 566 CB 208 0.881E+00 0.136E-01 -0.233E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5517 ILE 642 CD1 537 LEU 566 CG 209 0.865E+00 -0.187E-01 -0.262E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5518 ILE 642 CD1 537 LEU 566 CD1 210 0.892E+00 0.114E-01 -0.217E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5519 ILE 642 CD1 537 LEU 566 CD2 211 0.978E+00 0.987E-02 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5520 ILE 642 CD1 537 GLN 567 N 213 0.969E+00 0.315E-01 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5521 ILE 642 CD1 537 LEU 568 N 225 0.102E+01 0.269E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5522 ILE 642 CD1 537 LEU 568 CB 229 0.969E+00 0.117E-01 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5523 ILE 642 CD1 537 LEU 568 CG 230 0.929E+00 -0.167E-01 -0.170E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5524 ILE 642 CD1 537 LEU 568 CD1 231 0.857E+00 0.122E-01 -0.276E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5525 ILE 642 CD1 537 THR 569 OG1 239 0.105E+01 0.436E-01 -0.841E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5526 ILE 642 CD1 537 THR 569 CG2 240 0.960E+00 0.145E-01 -0.140E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5527 ILE 642 CD1 537 THR 569 HG1 242 0.991E+00 -0.319E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5528 HIS 643 N 539 ASN 554 C 83 0.105E+01 -0.235E+00 -0.812E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5529 HIS 643 N 539 ASN 554 O 84 0.940E+00 0.233E+00 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5530 HIS 643 N 539 ARG 557 CA 111 0.103E+01 0.510E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5531 HIS 643 N 539 ARG 557 C 112 0.908E+00 -0.343E+00 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5532 HIS 643 N 539 ARG 557 O 113 0.884E+00 0.284E+00 -0.230E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5533 HIS 643 N 539 ARG 557 CB 114 0.101E+01 0.149E-01 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5534 HIS 643 N 539 ALA 558 N 127 0.863E+00 0.207E+00 -0.315E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5535 HIS 643 N 539 ALA 558 CA 128 0.766E+00 0.176E-01 -0.586E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5536 HIS 643 N 539 ALA 558 C 129 0.835E+00 -0.308E+00 -0.313E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5537 HIS 643 N 539 ALA 558 O 130 0.788E+00 0.331E+00 -0.456E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5538 HIS 643 N 539 ALA 558 CB 131 0.757E+00 0.148E+00 -0.629E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5539 HIS 643 N 539 ILE 559 N 133 0.966E+00 0.193E+00 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5540 HIS 643 N 539 ALA 561 N 152 0.928E+00 0.184E+00 -0.203E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5541 HIS 643 N 539 ALA 561 CA 153 0.839E+00 0.150E-01 -0.341E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5542 HIS 643 N 539 ALA 561 C 154 0.852E+00 -0.298E+00 -0.277E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5543 HIS 643 N 539 ALA 561 O 155 0.894E+00 0.268E+00 -0.215E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5544 HIS 643 N 539 ALA 561 CB 156 0.700E+00 0.171E+00 -0.100E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5545 HIS 643 N 539 GLN 562 N 158 0.863E+00 0.198E+00 -0.314E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5546 HIS 643 N 539 GLN 562 CA 159 0.907E+00 -0.175E-01 -0.215E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5547 HIS 643 N 539 GLN 562 C 160 0.105E+01 -0.159E+00 -0.798E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5548 HIS 643 N 539 GLN 562 CB 162 0.922E+00 0.147E-01 -0.195E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5549 HIS 643 N 539 GLN 562 CG 163 0.793E+00 0.118E-01 -0.478E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5550 HIS 643 N 539 GLN 562 CD 164 0.844E+00 -0.355E+00 -0.293E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5551 HIS 643 N 539 GLN 562 OE1 165 0.943E+00 0.278E+00 -0.156E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5552 HIS 643 N 539 GLN 562 NE2 166 0.792E+00 0.523E+00 -0.524E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5553 HIS 643 N 539 LEU 565 CB 199 0.982E+00 0.600E-01 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5554 HIS 643 N 539 LEU 565 CG 200 0.859E+00 -0.990E-01 -0.297E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5555 HIS 643 N 539 LEU 565 CD1 201 0.826E+00 0.677E-01 -0.375E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5556 HIS 643 N 539 LEU 565 CD2 202 0.909E+00 0.578E-01 -0.211E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5557 HIS 643 CA 540 ASN 554 O 84 0.989E+00 -0.127E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5558 HIS 643 CA 540 ARG 557 C 112 0.101E+01 0.172E-01 -0.930E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5559 HIS 643 CA 540 ARG 557 O 113 0.996E+00 -0.139E-01 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5560 HIS 643 CA 540 ALA 558 N 127 0.951E+00 -0.104E-01 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5561 HIS 643 CA 540 ALA 558 CA 128 0.858E+00 -0.848E-03 -0.273E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5562 HIS 643 CA 540 ALA 558 C 129 0.936E+00 0.150E-01 -0.144E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5563 HIS 643 CA 540 ALA 558 O 130 0.900E+00 -0.155E-01 -0.191E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5564 HIS 643 CA 540 ALA 558 CB 131 0.829E+00 -0.739E-02 -0.337E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5565 HIS 643 CA 540 ALA 561 CA 153 0.978E+00 -0.690E-03 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5566 HIS 643 CA 540 ALA 561 C 154 0.990E+00 0.138E-01 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5567 HIS 643 CA 540 ALA 561 O 155 0.104E+01 -0.126E-01 -0.826E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5568 HIS 643 CA 540 ALA 561 CB 156 0.837E+00 -0.727E-02 -0.318E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5569 HIS 643 CA 540 GLN 562 N 158 0.995E+00 -0.929E-02 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5570 HIS 643 CA 540 GLN 562 CA 159 0.103E+01 0.839E-03 -0.893E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5571 HIS 643 CA 540 GLN 562 CB 162 0.104E+01 -0.722E-03 -0.876E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5572 HIS 643 CA 540 GLN 562 CG 163 0.902E+00 -0.558E-03 -0.203E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5573 HIS 643 CA 540 GLN 562 CD 164 0.936E+00 0.176E-01 -0.144E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5574 HIS 643 CA 540 GLN 562 OE1 165 0.103E+01 -0.143E-01 -0.840E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5575 HIS 643 CA 540 GLN 562 NE2 166 0.872E+00 -0.261E-01 -0.271E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5576 HIS 643 CA 540 LEU 565 CG 200 0.984E+00 0.469E-02 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5577 HIS 643 CA 540 LEU 565 CD1 201 0.939E+00 -0.323E-02 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5578 HIS 643 CA 540 LEU 565 CD2 202 0.103E+01 -0.280E-02 -0.905E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5579 HIS 643 C 541 ASN 554 C 83 0.102E+01 0.305E+00 -0.763E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5580 HIS 643 C 541 ASN 554 O 84 0.934E+00 -0.296E+00 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5581 HIS 643 C 541 ASN 554 CB 85 0.101E+01 -0.469E-01 -0.897E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5582 HIS 643 C 541 ASN 554 OD1 87 0.105E+01 -0.251E+00 -0.684E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5583 HIS 643 C 541 ARG 557 C 112 0.992E+00 0.376E+00 -0.901E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5584 HIS 643 C 541 ARG 557 O 113 0.995E+00 -0.296E+00 -0.928E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5585 HIS 643 C 541 ARG 557 CB 114 0.104E+01 -0.177E-01 -0.758E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5586 HIS 643 C 541 ARG 557 NH1 119 0.101E+01 -0.344E+00 -0.995E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5587 HIS 643 C 541 ALA 558 N 127 0.936E+00 -0.228E+00 -0.157E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5588 HIS 643 C 541 ALA 558 CA 128 0.861E+00 -0.180E-01 -0.238E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5589 HIS 643 C 541 ALA 558 C 129 0.959E+00 0.309E+00 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5590 HIS 643 C 541 ALA 558 O 130 0.941E+00 -0.310E+00 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5591 HIS 643 C 541 ALA 558 CB 131 0.826E+00 -0.159E+00 -0.306E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5592 HIS 643 C 541 ALA 561 CA 153 0.103E+01 -0.137E-01 -0.830E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5593 HIS 643 C 541 ALA 561 CB 156 0.879E+00 -0.143E+00 -0.210E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5594 HIS 643 C 541 GLN 562 CG 163 0.986E+00 -0.104E-01 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5595 HIS 643 C 541 GLN 562 CD 164 0.102E+01 0.332E+00 -0.779E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5596 HIS 643 C 541 GLN 562 NE2 166 0.961E+00 -0.477E+00 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5597 HIS 643 O 542 ASN 554 CA 82 0.103E+01 -0.174E-01 -0.833E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5598 HIS 643 O 542 ASN 554 C 83 0.101E+01 -0.248E+00 -0.865E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5599 HIS 643 O 542 ASN 554 O 84 0.931E+00 0.238E+00 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5600 HIS 643 O 542 ASN 554 CB 85 0.980E+00 0.394E-01 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5601 HIS 643 O 542 ASN 554 CG 86 0.103E+01 -0.229E+00 -0.770E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5602 HIS 643 O 542 ASN 554 OD1 87 0.102E+01 0.207E+00 -0.800E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5603 HIS 643 O 542 ARG 557 C 112 0.104E+01 -0.282E+00 -0.728E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5604 HIS 643 O 542 ARG 557 NH1 119 0.104E+01 0.264E+00 -0.868E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5605 HIS 643 O 542 ALA 558 N 127 0.968E+00 0.173E+00 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5606 HIS 643 O 542 ALA 558 CA 128 0.895E+00 0.135E-01 -0.198E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5607 HIS 643 O 542 ALA 558 C 129 0.999E+00 -0.232E+00 -0.907E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5608 HIS 643 O 542 ALA 558 O 130 0.991E+00 0.229E+00 -0.969E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5609 HIS 643 O 542 ALA 558 CB 131 0.840E+00 0.123E+00 -0.289E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5610 HIS 643 O 542 ALA 561 CB 156 0.965E+00 0.987E-01 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5611 HIS 643 O 542 GLN 562 CG 163 0.104E+01 0.770E-02 -0.809E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5612 HIS 643 O 542 GLN 562 NE2 166 0.991E+00 0.364E+00 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5613 HIS 643 CB 543 ALA 558 CA 128 0.997E+00 0.329E-02 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5614 HIS 643 CB 543 ALA 558 O 130 0.103E+01 0.625E-01 -0.871E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5615 HIS 643 CB 543 ALA 558 CB 131 0.974E+00 0.280E-01 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5616 HIS 643 CB 543 ALA 561 CB 156 0.936E+00 0.297E-01 -0.163E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5617 HIS 643 CB 543 GLN 562 CG 163 0.101E+01 0.231E-02 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5618 HIS 643 CB 543 GLN 562 CD 164 0.105E+01 -0.731E-01 -0.741E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5619 HIS 643 CB 543 GLN 562 NE2 166 0.976E+00 0.107E+00 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5620 HIS 643 CB 543 LEU 565 CG 200 0.102E+01 -0.219E-01 -0.985E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5621 HIS 643 CB 543 LEU 565 CD1 201 0.968E+00 0.151E-01 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5622 HIS 643 CB 543 LEU 565 CD2 202 0.105E+01 0.135E-01 -0.833E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5623 HIS 643 CG 544 ALA 558 CA 128 0.105E+01 -0.559E-02 -0.733E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5624 HIS 643 CG 544 ALA 558 CB 131 0.102E+01 -0.480E-01 -0.880E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5625 HIS 643 CG 544 ALA 561 CB 156 0.989E+00 -0.500E-01 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5626 HIS 643 CG 544 GLN 562 CG 163 0.989E+00 -0.434E-02 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5627 HIS 643 CG 544 GLN 562 CD 164 0.102E+01 0.139E+00 -0.776E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5628 HIS 643 CG 544 GLN 562 NE2 166 0.933E+00 -0.210E+00 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5629 HIS 643 CG 544 LEU 565 CG 200 0.986E+00 0.419E-01 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5630 HIS 643 CG 544 LEU 565 CD1 201 0.915E+00 -0.301E-01 -0.165E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5631 HIS 643 CG 544 LEU 565 CD2 202 0.102E+01 -0.257E-01 -0.882E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5632 HIS 643 ND1 545 GLN 562 NE2 166 0.100E+01 0.286E+00 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5633 HIS 643 ND1 545 LEU 565 CD1 201 0.100E+01 0.399E-01 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5634 HIS 643 CD2 546 ALA 558 CA 128 0.101E+01 0.631E-02 -0.910E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5635 HIS 643 CD2 546 ALA 558 O 130 0.986E+00 0.130E+00 -0.979E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5636 HIS 643 CD2 546 ALA 558 CB 131 0.986E+00 0.538E-01 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5637 HIS 643 CD2 546 ALA 561 CA 153 0.105E+01 0.601E-02 -0.742E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5638 HIS 643 CD2 546 ALA 561 C 154 0.102E+01 -0.127E+00 -0.776E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5639 HIS 643 CD2 546 ALA 561 O 155 0.103E+01 0.121E+00 -0.735E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5640 HIS 643 CD2 546 ALA 561 CB 156 0.928E+00 0.591E-01 -0.152E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5641 HIS 643 CD2 546 GLN 562 N 158 0.102E+01 0.864E-01 -0.953E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5642 HIS 643 CD2 546 GLN 562 CA 159 0.102E+01 -0.825E-02 -0.868E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5643 HIS 643 CD2 546 GLN 562 CB 162 0.102E+01 0.710E-02 -0.850E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5644 HIS 643 CD2 546 GLN 562 CG 163 0.891E+00 0.548E-02 -0.194E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5645 HIS 643 CD2 546 GLN 562 CD 164 0.922E+00 -0.173E+00 -0.140E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5646 HIS 643 CD2 546 GLN 562 OE1 165 0.103E+01 0.137E+00 -0.736E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5647 HIS 643 CD2 546 GLN 562 NE2 166 0.836E+00 0.269E+00 -0.311E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5648 HIS 643 CD2 546 LEU 565 CB 199 0.999E+00 0.330E-01 -0.978E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5649 HIS 643 CD2 546 LEU 565 CG 200 0.864E+00 -0.553E-01 -0.233E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5650 HIS 643 CD2 546 LEU 565 CD1 201 0.786E+00 0.417E-01 -0.411E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5651 HIS 643 CD2 546 LEU 565 CD2 202 0.898E+00 0.333E-01 -0.185E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5652 HIS 643 CE1 547 GLN 562 CG 163 0.105E+01 -0.373E-03 -0.729E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5653 HIS 643 CE1 547 GLN 562 NE2 166 0.955E+00 -0.189E-01 -0.140E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5654 HIS 643 CE1 547 LEU 565 CG 200 0.104E+01 0.364E-02 -0.776E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5655 HIS 643 CE1 547 LEU 565 CD1 201 0.942E+00 -0.269E-02 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5656 HIS 643 NE2 548 ALA 561 CB 156 0.103E+01 0.167E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5657 HIS 643 NE2 548 GLN 562 CG 163 0.936E+00 0.167E-02 -0.177E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5658 HIS 643 NE2 548 GLN 562 CD 164 0.954E+00 -0.540E-01 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5659 HIS 643 NE2 548 GLN 562 NE2 166 0.854E+00 0.852E-01 -0.333E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5660 HIS 643 NE2 548 LEU 565 CB 199 0.104E+01 0.103E-01 -0.958E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5661 HIS 643 NE2 548 LEU 565 CG 200 0.906E+00 -0.168E-01 -0.216E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5662 HIS 643 NE2 548 LEU 565 CD1 201 0.810E+00 0.130E-01 -0.423E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5663 HIS 643 NE2 548 LEU 565 CD2 202 0.940E+00 0.102E-01 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5664 SER 644 N 552 ASN 554 CA 82 0.103E+01 -0.180E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5665 SER 644 N 552 ASN 554 C 83 0.101E+01 -0.253E+00 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5666 SER 644 N 552 ASN 554 O 84 0.921E+00 0.247E+00 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5667 SER 644 N 552 ASN 554 CB 85 0.997E+00 0.393E-01 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5668 SER 644 N 552 ASN 554 CG 86 0.103E+01 -0.232E+00 -0.877E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5669 SER 644 N 552 ASN 554 OD1 87 0.100E+01 0.218E+00 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5670 SER 644 N 552 ARG 557 CA 111 0.105E+01 0.508E-01 -0.895E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5671 SER 644 N 552 ARG 557 C 112 0.960E+00 -0.323E+00 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5672 SER 644 N 552 ARG 557 O 113 0.960E+00 0.256E+00 -0.140E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5673 SER 644 N 552 ARG 557 CB 114 0.987E+00 0.157E-01 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5674 SER 644 N 552 ARG 557 CZ 118 0.989E+00 -0.239E+00 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5675 SER 644 N 552 ARG 557 NH1 119 0.918E+00 0.325E+00 -0.217E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5676 SER 644 N 552 ARG 557 NH2 120 0.102E+01 0.278E+00 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5677 SER 644 N 552 ALA 558 N 127 0.919E+00 0.192E+00 -0.215E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5678 SER 644 N 552 ALA 558 CA 128 0.859E+00 0.148E-01 -0.297E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5679 SER 644 N 552 ALA 558 C 129 0.964E+00 -0.250E+00 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5680 SER 644 N 552 ALA 558 O 130 0.948E+00 0.250E+00 -0.151E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5681 SER 644 N 552 ALA 558 CB 131 0.842E+00 0.126E+00 -0.334E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5682 SER 644 N 552 ALA 561 CA 153 0.996E+00 0.117E-01 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5683 SER 644 N 552 ALA 561 C 154 0.104E+01 -0.223E+00 -0.817E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5684 SER 644 N 552 ALA 561 CB 156 0.847E+00 0.124E+00 -0.324E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5685 SER 644 N 552 GLN 562 CG 163 0.102E+01 0.805E-02 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5686 SER 644 N 552 GLN 562 NE2 166 0.103E+01 0.354E+00 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5687 SER 644 CA 553 ASN 554 CA 82 0.967E+00 0.430E-02 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5688 SER 644 CA 553 ASN 554 C 83 0.970E+00 0.586E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5689 SER 644 CA 553 ASN 554 O 84 0.894E+00 -0.565E-01 -0.199E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5690 SER 644 CA 553 ASN 554 CB 85 0.926E+00 -0.958E-02 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5691 SER 644 CA 553 ASN 554 CG 86 0.943E+00 0.578E-01 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5692 SER 644 CA 553 ASN 554 OD1 87 0.908E+00 -0.554E-01 -0.181E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5693 SER 644 CA 553 ASN 554 ND2 88 0.103E+01 -0.678E-01 -0.989E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5694 SER 644 CA 553 ARG 557 CA 111 0.104E+01 -0.112E-01 -0.859E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5695 SER 644 CA 553 ARG 557 C 112 0.970E+00 0.693E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5696 SER 644 CA 553 ARG 557 O 113 0.984E+00 -0.537E-01 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5697 SER 644 CA 553 ARG 557 CB 114 0.960E+00 -0.357E-02 -0.140E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5698 SER 644 CA 553 ARG 557 CD 116 0.101E+01 0.112E-01 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5699 SER 644 CA 553 ARG 557 NE 117 0.987E+00 0.430E-01 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5700 SER 644 CA 553 ARG 557 CZ 118 0.905E+00 0.598E-01 -0.176E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5701 SER 644 CA 553 ARG 557 NH1 119 0.834E+00 -0.830E-01 -0.355E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5702 SER 644 CA 553 ARG 557 NH2 120 0.920E+00 -0.706E-01 -0.196E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5703 SER 644 CA 553 ARG 557 HE 122 0.105E+01 0.102E-01 -0.254E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5704 SER 644 CA 553 ALA 558 N 127 0.931E+00 -0.409E-01 -0.183E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5705 SER 644 CA 553 ALA 558 CA 128 0.891E+00 -0.304E-02 -0.218E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5706 SER 644 CA 553 ALA 558 C 129 0.101E+01 0.509E-01 -0.908E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5707 SER 644 CA 553 ALA 558 O 130 0.101E+01 -0.496E-01 -0.953E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5708 SER 644 CA 553 ALA 558 CB 131 0.871E+00 -0.259E-01 -0.250E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5709 SER 644 CA 553 ALA 561 CB 156 0.913E+00 -0.240E-01 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5710 SER 644 C 554 GLN 551 OE1 53 0.979E+00 -0.241E+00 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5711 SER 644 C 554 ASN 553 C 72 0.103E+01 0.219E+00 -0.709E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5712 SER 644 C 554 ASN 553 O 73 0.100E+01 -0.194E+00 -0.884E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5713 SER 644 C 554 ASN 554 N 81 0.961E+00 -0.170E+00 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5714 SER 644 C 554 ASN 554 CA 82 0.821E+00 0.229E-01 -0.316E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5715 SER 644 C 554 ASN 554 C 83 0.825E+00 0.311E+00 -0.272E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5716 SER 644 C 554 ASN 554 O 84 0.755E+00 -0.310E+00 -0.485E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5717 SER 644 C 554 ASN 554 CB 85 0.776E+00 -0.528E-01 -0.442E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5718 SER 644 C 554 ASN 554 CG 86 0.799E+00 0.312E+00 -0.330E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5719 SER 644 C 554 ASN 554 OD1 87 0.771E+00 -0.300E+00 -0.428E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5720 SER 644 C 554 ASN 554 ND2 88 0.888E+00 -0.349E+00 -0.216E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5721 SER 644 C 554 LEU 555 N 92 0.936E+00 -0.146E+00 -0.157E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5722 SER 644 C 554 LEU 555 CA 93 0.983E+00 -0.385E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5723 SER 644 C 554 LEU 555 C 94 0.103E+01 0.204E+00 -0.720E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5724 SER 644 C 554 LEU 555 O 95 0.101E+01 -0.205E+00 -0.864E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5725 SER 644 C 554 LEU 555 CD2 99 0.102E+01 -0.441E-01 -0.840E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5726 SER 644 C 554 ARG 557 N 110 0.100E+01 -0.111E+00 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5727 SER 644 C 554 ARG 557 CA 111 0.936E+00 -0.537E-01 -0.144E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5728 SER 644 C 554 ARG 557 C 112 0.871E+00 0.336E+00 -0.197E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5729 SER 644 C 554 ARG 557 O 113 0.900E+00 -0.252E+00 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5730 SER 644 C 554 ARG 557 CB 114 0.854E+00 -0.176E-01 -0.249E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5731 SER 644 C 554 ARG 557 CG 115 0.961E+00 0.473E-02 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5732 SER 644 C 554 ARG 557 CD 116 0.919E+00 0.533E-01 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5733 SER 644 C 554 ARG 557 NE 117 0.879E+00 0.211E+00 -0.229E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5734 SER 644 C 554 ARG 557 CZ 118 0.802E+00 0.300E+00 -0.323E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5735 SER 644 C 554 ARG 557 NH1 119 0.748E+00 -0.412E+00 -0.603E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5736 SER 644 C 554 ARG 557 NH2 120 0.809E+00 -0.358E+00 -0.376E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5737 SER 644 C 554 ARG 557 HE 122 0.931E+00 0.496E-01 -0.455E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5738 SER 644 C 554 ALA 558 N 127 0.823E+00 -0.205E+00 -0.341E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5739 SER 644 C 554 ALA 558 CA 128 0.791E+00 -0.152E-01 -0.394E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5740 SER 644 C 554 ALA 558 C 129 0.921E+00 0.240E+00 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5741 SER 644 C 554 ALA 558 O 130 0.936E+00 -0.228E+00 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5742 SER 644 C 554 ALA 558 CB 131 0.759E+00 -0.134E+00 -0.503E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5743 SER 644 C 554 ILE 559 N 133 0.103E+01 -0.160E+00 -0.879E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5744 SER 644 C 554 ALA 561 CA 153 0.103E+01 -0.998E-02 -0.821E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5745 SER 644 C 554 ALA 561 CB 156 0.879E+00 -0.104E+00 -0.211E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5746 SER 644 O 555 GLN 550 NE2 42 0.101E+01 0.389E+00 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5747 SER 644 O 555 GLN 551 O 49 0.103E+01 0.241E+00 -0.764E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5748 SER 644 O 555 GLN 551 CD 52 0.101E+01 -0.292E+00 -0.828E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5749 SER 644 O 555 GLN 551 OE1 53 0.905E+00 0.327E+00 -0.167E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5750 SER 644 O 555 GLN 551 NE2 54 0.103E+01 0.377E+00 -0.911E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5751 SER 644 O 555 ASN 553 C 72 0.102E+01 -0.268E+00 -0.806E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5752 SER 644 O 555 ASN 553 O 73 0.100E+01 0.233E+00 -0.895E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5753 SER 644 O 555 ASN 554 N 81 0.934E+00 0.213E+00 -0.165E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5754 SER 644 O 555 ASN 554 CA 82 0.798E+00 -0.290E-01 -0.394E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5755 SER 644 O 555 ASN 554 C 83 0.815E+00 -0.382E+00 -0.306E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5756 SER 644 O 555 ASN 554 O 84 0.762E+00 0.366E+00 -0.468E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5757 SER 644 O 555 ASN 554 CB 85 0.732E+00 0.708E-01 -0.660E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5758 SER 644 O 555 ASN 554 CG 86 0.742E+00 -0.428E+00 -0.536E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5759 SER 644 O 555 ASN 554 OD1 87 0.721E+00 0.407E+00 -0.647E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5760 SER 644 O 555 ASN 554 ND2 88 0.818E+00 0.481E+00 -0.365E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5761 SER 644 O 555 LEU 555 N 92 0.923E+00 0.179E+00 -0.178E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5762 SER 644 O 555 LEU 555 CA 93 0.980E+00 0.465E-01 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5763 SER 644 O 555 LEU 555 C 94 0.104E+01 -0.241E+00 -0.699E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5764 SER 644 O 555 LEU 555 O 95 0.103E+01 0.238E+00 -0.754E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5765 SER 644 O 555 LEU 555 CD2 99 0.999E+00 0.550E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5766 SER 644 O 555 ARG 557 N 110 0.104E+01 0.128E+00 -0.891E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5767 SER 644 O 555 ARG 557 CA 111 0.984E+00 0.600E-01 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5768 SER 644 O 555 ARG 557 C 112 0.929E+00 -0.365E+00 -0.140E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5769 SER 644 O 555 ARG 557 O 113 0.972E+00 0.269E+00 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5770 SER 644 O 555 ARG 557 CB 114 0.895E+00 0.196E-01 -0.198E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5771 SER 644 O 555 ARG 557 CG 115 0.995E+00 -0.540E-02 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5772 SER 644 O 555 ARG 557 CD 116 0.947E+00 -0.611E-01 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5773 SER 644 O 555 ARG 557 NE 117 0.889E+00 -0.249E+00 -0.222E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5774 SER 644 O 555 ARG 557 CZ 118 0.803E+00 -0.360E+00 -0.336E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5775 SER 644 O 555 ARG 557 NH1 119 0.760E+00 0.481E+00 -0.567E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5776 SER 644 O 555 ARG 557 NH2 120 0.789E+00 0.450E+00 -0.453E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5777 SER 644 O 555 ARG 557 HE 122 0.933E+00 -0.596E-01 -0.378E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5778 SER 644 O 555 ALA 558 N 127 0.873E+00 0.223E+00 -0.247E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5779 SER 644 O 555 ALA 558 CA 128 0.850E+00 0.161E-01 -0.268E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5780 SER 644 O 555 ALA 558 C 129 0.987E+00 -0.260E+00 -0.977E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5781 SER 644 O 555 ALA 558 O 130 0.101E+01 0.243E+00 -0.846E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5782 SER 644 O 555 ALA 558 CB 131 0.803E+00 0.146E+00 -0.377E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5783 SER 644 O 555 ALA 561 CB 156 0.981E+00 0.106E+00 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5784 SER 644 CB 556 ASN 554 CA 82 0.976E+00 0.527E-02 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5785 SER 644 CB 556 ASN 554 C 83 0.994E+00 0.703E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5786 SER 644 CB 556 ASN 554 O 84 0.918E+00 -0.674E-01 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5787 SER 644 CB 556 ASN 554 CB 85 0.947E+00 -0.115E-01 -0.152E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5788 SER 644 CB 556 ASN 554 CG 86 0.949E+00 0.715E-01 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5789 SER 644 CB 556 ASN 554 OD1 87 0.894E+00 -0.708E-01 -0.199E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5790 SER 644 CB 556 ASN 554 ND2 88 0.104E+01 -0.833E-01 -0.934E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5791 SER 644 CB 556 ARG 557 CA 111 0.102E+01 -0.143E-01 -0.958E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5792 SER 644 CB 556 ARG 557 C 112 0.965E+00 0.870E-01 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5793 SER 644 CB 556 ARG 557 O 113 0.974E+00 -0.679E-01 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5794 SER 644 CB 556 ARG 557 CB 114 0.927E+00 -0.469E-02 -0.172E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5795 SER 644 CB 556 ARG 557 CG 115 0.101E+01 0.133E-02 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5796 SER 644 CB 556 ARG 557 CD 116 0.949E+00 0.154E-01 -0.150E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5797 SER 644 CB 556 ARG 557 NE 117 0.927E+00 0.590E-01 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5798 SER 644 CB 556 ARG 557 CZ 118 0.838E+00 0.847E-01 -0.280E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5799 SER 644 CB 556 ARG 557 NH1 119 0.749E+00 -0.125E+00 -0.671E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5800 SER 644 CB 556 ARG 557 NH2 120 0.861E+00 -0.979E-01 -0.292E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5801 SER 644 CB 556 ARG 557 HE 122 0.997E+00 0.136E-01 -0.340E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5802 SER 644 CB 556 ALA 558 N 127 0.947E+00 -0.497E-01 -0.166E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5803 SER 644 CB 556 ALA 558 CA 128 0.924E+00 -0.357E-02 -0.176E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5804 SER 644 CB 556 ALA 558 C 129 0.105E+01 0.603E-01 -0.740E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5805 SER 644 CB 556 ALA 558 O 130 0.105E+01 -0.587E-01 -0.770E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5806 SER 644 CB 556 ALA 558 CB 131 0.925E+00 -0.293E-01 -0.174E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5807 SER 644 CB 556 ALA 561 CB 156 0.908E+00 -0.301E-01 -0.195E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5808 SER 644 OG 557 ASN 554 O 84 0.102E+01 0.251E+00 -0.912E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5809 SER 644 OG 557 ASN 554 OD1 87 0.101E+01 0.254E+00 -0.940E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5810 SER 644 OG 557 ARG 557 C 112 0.101E+01 -0.352E+00 -0.915E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5811 SER 644 OG 557 ARG 557 O 113 0.101E+01 0.282E+00 -0.981E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5812 SER 644 OG 557 ARG 557 CB 114 0.984E+00 0.186E-01 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5813 SER 644 OG 557 ARG 557 CD 116 0.100E+01 -0.620E-01 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5814 SER 644 OG 557 ARG 557 NE 117 0.995E+00 -0.230E+00 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5815 SER 644 OG 557 ARG 557 CZ 118 0.911E+00 -0.321E+00 -0.174E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5816 SER 644 OG 557 ARG 557 NH1 119 0.809E+00 0.475E+00 -0.433E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5817 SER 644 OG 557 ARG 557 NH2 120 0.950E+00 0.365E+00 -0.165E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5818 SER 644 OG 557 ALA 558 N 127 0.101E+01 0.196E+00 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5819 SER 644 OG 557 ALA 558 CA 128 0.984E+00 0.141E-01 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5820 SER 644 OG 557 ALA 558 CB 131 0.100E+01 0.113E+00 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5821 SER 644 OG 557 ALA 561 CA 153 0.104E+01 0.130E-01 -0.874E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5822 SER 644 OG 557 ALA 561 CB 156 0.899E+00 0.133E+00 -0.212E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5823 SER 644 HG 559 ARG 557 CZ 118 0.100E+01 0.194E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5824 SER 644 HG 559 ARG 557 NH1 119 0.899E+00 -0.277E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5825 SER 644 HG 559 ARG 557 NH2 120 0.103E+01 -0.224E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5826 SER 644 HG 559 ALA 561 CB 156 0.971E+00 -0.824E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5827 LEU 645 N 560 GLN 551 O 49 0.101E+01 0.153E+00 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5828 LEU 645 N 560 GLN 551 OE1 53 0.946E+00 0.186E+00 -0.153E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5829 LEU 645 N 560 ASN 553 C 72 0.947E+00 -0.183E+00 -0.147E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5830 LEU 645 N 560 ASN 553 O 73 0.907E+00 0.166E+00 -0.197E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5831 LEU 645 N 560 ASN 554 N 81 0.884E+00 0.142E+00 -0.272E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5832 LEU 645 N 560 ASN 554 CA 82 0.742E+00 -0.202E-01 -0.710E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5833 LEU 645 N 560 ASN 554 C 83 0.730E+00 -0.285E+00 -0.692E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5834 LEU 645 N 560 ASN 554 O 84 0.648E+00 0.305E+00 -0.146E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5835 LEU 645 N 560 ASN 554 CB 85 0.717E+00 0.449E-01 -0.870E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5836 LEU 645 N 560 ASN 554 CG 86 0.758E+00 -0.251E+00 -0.553E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5837 LEU 645 N 560 ASN 554 OD1 87 0.733E+00 0.242E+00 -0.707E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5838 LEU 645 N 560 ASN 554 ND2 88 0.861E+00 0.270E+00 -0.319E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5839 LEU 645 N 560 LEU 555 N 92 0.842E+00 0.127E+00 -0.364E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5840 LEU 645 N 560 LEU 555 CA 93 0.880E+00 0.336E-01 -0.257E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5841 LEU 645 N 560 LEU 555 C 94 0.916E+00 -0.179E+00 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5842 LEU 645 N 560 LEU 555 O 95 0.885E+00 0.184E+00 -0.228E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5843 LEU 645 N 560 LEU 555 CB 96 0.101E+01 0.386E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5844 LEU 645 N 560 LEU 555 CG 97 0.103E+01 -0.503E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5845 LEU 645 N 560 LEU 555 CD2 99 0.944E+00 0.366E-01 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5846 LEU 645 N 560 LEU 556 N 101 0.100E+01 0.969E-01 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5847 LEU 645 N 560 LEU 556 C 103 0.979E+00 -0.161E+00 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5848 LEU 645 N 560 LEU 556 O 104 0.101E+01 0.149E+00 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5849 LEU 645 N 560 ARG 557 N 110 0.881E+00 0.999E-01 -0.277E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5850 LEU 645 N 560 ARG 557 CA 111 0.813E+00 0.498E-01 -0.411E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5851 LEU 645 N 560 ARG 557 C 112 0.741E+00 -0.328E+00 -0.637E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5852 LEU 645 N 560 ARG 557 O 113 0.768E+00 0.243E+00 -0.533E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5853 LEU 645 N 560 ARG 557 CB 114 0.742E+00 0.166E-01 -0.713E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5854 LEU 645 N 560 ARG 557 CG 115 0.858E+00 -0.417E-02 -0.300E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5855 LEU 645 N 560 ARG 557 CD 116 0.831E+00 -0.461E-01 -0.361E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5856 LEU 645 N 560 ARG 557 NE 117 0.804E+00 -0.180E+00 -0.479E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5857 LEU 645 N 560 ARG 557 CZ 118 0.744E+00 -0.253E+00 -0.622E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5858 LEU 645 N 560 ARG 557 NH1 119 0.696E+00 0.347E+00 -0.113E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5859 LEU 645 N 560 ARG 557 NH2 120 0.766E+00 0.290E+00 -0.639E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5860 LEU 645 N 560 ARG 557 HE 122 0.855E+00 -0.419E-01 -0.870E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5861 LEU 645 N 560 ALA 558 N 127 0.692E+00 0.207E+00 -0.117E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5862 LEU 645 N 560 ALA 558 CA 128 0.658E+00 0.158E-01 -0.145E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5863 LEU 645 N 560 ALA 558 C 129 0.788E+00 -0.229E+00 -0.442E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5864 LEU 645 N 560 ALA 558 O 130 0.804E+00 0.215E+00 -0.406E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5865 LEU 645 N 560 ALA 558 CB 131 0.633E+00 0.141E+00 -0.181E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5866 LEU 645 N 560 ILE 559 N 133 0.899E+00 0.145E+00 -0.246E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5867 LEU 645 N 560 ILE 559 CA 134 0.103E+01 0.265E-01 -0.974E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5868 LEU 645 N 560 ALA 561 N 152 0.940E+00 0.121E+00 -0.189E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5869 LEU 645 N 560 ALA 561 CA 153 0.903E+00 0.894E-02 -0.220E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5870 LEU 645 N 560 ALA 561 C 154 0.974E+00 -0.162E+00 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5871 LEU 645 N 560 ALA 561 CB 156 0.754E+00 0.100E+00 -0.644E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5872 LEU 645 N 560 GLN 562 N 158 0.980E+00 0.109E+00 -0.147E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5873 LEU 645 N 560 GLN 562 CG 163 0.953E+00 0.587E-02 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5874 LEU 645 N 560 GLN 562 CD 164 0.988E+00 -0.185E+00 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5875 LEU 645 N 560 GLN 562 OE1 165 0.105E+01 0.160E+00 -0.825E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5876 LEU 645 N 560 GLN 562 NE2 166 0.970E+00 0.252E+00 -0.156E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5877 LEU 645 CA 561 GLN 550 C 36 0.104E+01 -0.308E-01 -0.772E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5878 LEU 645 CA 561 GLN 550 O 37 0.943E+00 0.480E-01 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5879 LEU 645 CA 561 GLN 550 NE2 42 0.978E+00 0.709E-01 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5880 LEU 645 CA 561 GLN 551 CA 47 0.972E+00 -0.300E-02 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5881 LEU 645 CA 561 GLN 551 C 48 0.960E+00 -0.346E-01 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5882 LEU 645 CA 561 GLN 551 O 49 0.862E+00 0.553E-01 -0.247E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5883 LEU 645 CA 561 GLN 551 CG 51 0.104E+01 0.147E-02 -0.884E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5884 LEU 645 CA 561 GLN 551 CD 52 0.924E+00 -0.585E-01 -0.156E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5885 LEU 645 CA 561 GLN 551 OE1 53 0.814E+00 0.678E-01 -0.348E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5886 LEU 645 CA 561 GLN 551 NE2 54 0.958E+00 0.731E-01 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5887 LEU 645 CA 561 GLN 552 C 60 0.103E+01 -0.311E-01 -0.806E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5888 LEU 645 CA 561 GLN 552 O 61 0.101E+01 0.433E-01 -0.962E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5889 LEU 645 CA 561 ASN 553 N 70 0.101E+01 0.327E-01 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5890 LEU 645 CA 561 ASN 553 CA 71 0.962E+00 -0.370E-02 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5891 LEU 645 CA 561 ASN 553 C 72 0.816E+00 -0.664E-01 -0.329E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5892 LEU 645 CA 561 ASN 553 O 73 0.782E+00 0.607E-01 -0.443E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5893 LEU 645 CA 561 ASN 553 CB 74 0.100E+01 0.730E-02 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5894 LEU 645 CA 561 ASN 553 CG 75 0.101E+01 -0.448E-01 -0.922E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5895 LEU 645 CA 561 ASN 553 OD1 76 0.978E+00 0.423E-01 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5896 LEU 645 CA 561 ASN 554 N 81 0.748E+00 0.541E-01 -0.681E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5897 LEU 645 CA 561 ASN 554 CA 82 0.604E+00 -0.865E-02 -0.219E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5898 LEU 645 CA 561 ASN 554 C 83 0.590E+00 -0.125E+00 -0.221E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5899 LEU 645 CA 561 ASN 554 O 84 0.514E+00 0.144E+00 -0.518E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5900 LEU 645 CA 561 ASN 554 CB 85 0.578E+00 0.199E-01 -0.282E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5901 LEU 645 CA 561 ASN 554 CG 86 0.630E+00 -0.103E+00 -0.151E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5902 LEU 645 CA 561 ASN 554 OD1 87 0.615E+00 0.974E-01 -0.184E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5903 LEU 645 CA 561 ASN 554 ND2 88 0.735E+00 0.101E+00 -0.751E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5904 LEU 645 CA 561 LEU 555 N 92 0.701E+00 0.505E-01 -0.999E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5905 LEU 645 CA 561 LEU 555 CA 93 0.744E+00 0.128E-01 -0.640E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5906 LEU 645 CA 561 LEU 555 C 94 0.788E+00 -0.654E-01 -0.402E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5907 LEU 645 CA 561 LEU 555 O 95 0.769E+00 0.667E-01 -0.491E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5908 LEU 645 CA 561 LEU 555 CB 96 0.876E+00 0.137E-01 -0.242E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5909 LEU 645 CA 561 LEU 555 CG 97 0.890E+00 -0.178E-01 -0.219E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5910 LEU 645 CA 561 LEU 555 CD1 98 0.104E+01 0.901E-02 -0.863E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5911 LEU 645 CA 561 LEU 555 CD2 99 0.812E+00 0.133E-01 -0.382E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5912 LEU 645 CA 561 LEU 556 N 101 0.872E+00 0.341E-01 -0.271E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5913 LEU 645 CA 561 LEU 556 CA 102 0.948E+00 0.850E-02 -0.151E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5914 LEU 645 CA 561 LEU 556 C 103 0.872E+00 -0.550E-01 -0.220E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5915 LEU 645 CA 561 LEU 556 O 104 0.919E+00 0.493E-01 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5916 LEU 645 CA 561 LEU 556 CB 105 0.105E+01 0.105E-01 -0.837E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5917 LEU 645 CA 561 ARG 557 N 110 0.774E+00 0.355E-01 -0.553E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5918 LEU 645 CA 561 ARG 557 CA 111 0.723E+00 0.175E-01 -0.759E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5919 LEU 645 CA 561 ARG 557 C 112 0.660E+00 -0.117E+00 -0.116E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5920 LEU 645 CA 561 ARG 557 O 113 0.707E+00 0.807E-01 -0.808E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5921 LEU 645 CA 561 ARG 557 CB 114 0.652E+00 0.606E-02 -0.140E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5922 LEU 645 CA 561 ARG 557 CG 115 0.772E+00 -0.142E-02 -0.514E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5923 LEU 645 CA 561 ARG 557 CD 116 0.755E+00 -0.156E-01 -0.588E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5924 LEU 645 CA 561 ARG 557 NE 117 0.716E+00 -0.634E-01 -0.878E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5925 LEU 645 CA 561 ARG 557 CZ 118 0.665E+00 -0.892E-01 -0.110E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5926 LEU 645 CA 561 ARG 557 NH1 119 0.642E+00 0.116E+00 -0.168E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5927 LEU 645 CA 561 ARG 557 NH2 120 0.680E+00 0.103E+00 -0.120E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5928 LEU 645 CA 561 ARG 557 HE 122 0.755E+00 -0.148E-01 -0.181E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5929 LEU 645 CA 561 ALA 558 N 127 0.599E+00 0.794E-01 -0.253E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5930 LEU 645 CA 561 ALA 558 CA 128 0.579E+00 0.590E-02 -0.280E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5931 LEU 645 CA 561 ALA 558 C 129 0.719E+00 -0.771E-01 -0.697E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5932 LEU 645 CA 561 ALA 558 O 130 0.756E+00 0.684E-01 -0.544E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5933 LEU 645 CA 561 ALA 558 CB 131 0.540E+00 0.566E-01 -0.415E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5934 LEU 645 CA 561 ILE 559 N 133 0.818E+00 0.483E-01 -0.399E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5935 LEU 645 CA 561 ILE 559 CA 134 0.960E+00 0.843E-02 -0.140E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5936 LEU 645 CA 561 ILE 559 C 135 0.101E+01 -0.433E-01 -0.894E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5937 LEU 645 CA 561 ILE 559 CG1 138 0.104E+01 -0.161E-02 -0.853E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5938 LEU 645 CA 561 GLU 560 N 142 0.990E+00 0.333E-01 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5939 LEU 645 CA 561 GLU 560 C 144 0.103E+01 -0.347E-01 -0.792E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5940 LEU 645 CA 561 ALA 561 N 152 0.910E+00 0.363E-01 -0.210E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5941 LEU 645 CA 561 ALA 561 CA 153 0.896E+00 0.258E-02 -0.212E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5942 LEU 645 CA 561 ALA 561 C 154 0.972E+00 -0.462E-01 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5943 LEU 645 CA 561 ALA 561 CB 156 0.754E+00 0.284E-01 -0.591E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5944 LEU 645 CA 561 GLN 562 N 158 0.965E+00 0.317E-01 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5945 LEU 645 CA 561 GLN 562 CB 162 0.105E+01 0.232E-02 -0.825E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5946 LEU 645 CA 561 GLN 562 CG 163 0.934E+00 0.172E-02 -0.164E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5947 LEU 645 CA 561 GLN 562 CD 164 0.958E+00 -0.553E-01 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5948 LEU 645 CA 561 GLN 562 OE1 165 0.100E+01 0.486E-01 -0.999E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5949 LEU 645 CA 561 GLN 562 NE2 166 0.949E+00 0.741E-01 -0.163E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5950 LEU 645 C 562 GLN 550 C 36 0.103E+01 0.177E+00 -0.725E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5951 LEU 645 C 562 GLN 550 O 37 0.943E+00 -0.272E+00 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5952 LEU 645 C 562 GLN 550 NE2 42 0.999E+00 -0.390E+00 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5953 LEU 645 C 562 GLN 551 N 46 0.103E+01 -0.164E+00 -0.909E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5954 LEU 645 C 562 GLN 551 CA 47 0.928E+00 0.183E-01 -0.152E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5955 LEU 645 C 562 GLN 551 C 48 0.921E+00 0.209E+00 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5956 LEU 645 C 562 GLN 551 O 49 0.822E+00 -0.341E+00 -0.292E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5957 LEU 645 C 562 GLN 551 CB 50 0.997E+00 -0.142E-01 -0.987E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5958 LEU 645 C 562 GLN 551 CG 51 0.955E+00 -0.944E-02 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5959 LEU 645 C 562 GLN 551 CD 52 0.833E+00 0.393E+00 -0.258E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5960 LEU 645 C 562 GLN 551 OE1 53 0.731E+00 -0.467E+00 -0.586E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5961 LEU 645 C 562 GLN 551 NE2 54 0.851E+00 -0.502E+00 -0.279E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5962 LEU 645 C 562 GLN 552 N 58 0.104E+01 -0.161E+00 -0.836E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5963 LEU 645 C 562 GLN 552 C 60 0.102E+01 0.179E+00 -0.754E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5964 LEU 645 C 562 GLN 552 O 61 0.100E+01 -0.248E+00 -0.884E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5965 LEU 645 C 562 ASN 553 N 70 0.102E+01 -0.184E+00 -0.947E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5966 LEU 645 C 562 ASN 553 CA 71 0.987E+00 0.202E-01 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5967 LEU 645 C 562 ASN 553 C 72 0.843E+00 0.356E+00 -0.240E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5968 LEU 645 C 562 ASN 553 O 73 0.822E+00 -0.316E+00 -0.292E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5969 LEU 645 C 562 ASN 553 CB 74 0.104E+01 -0.393E-01 -0.782E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5970 LEU 645 C 562 ASN 553 OD1 76 0.104E+01 -0.219E+00 -0.702E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5971 LEU 645 C 562 ASN 554 N 81 0.760E+00 -0.297E+00 -0.545E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5972 LEU 645 C 562 ASN 554 CA 82 0.615E+00 0.472E-01 -0.175E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5973 LEU 645 C 562 ASN 554 C 83 0.585E+00 0.720E+00 -0.207E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5974 LEU 645 C 562 ASN 554 O 84 0.521E+00 -0.796E+00 -0.430E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5975 LEU 645 C 562 ASN 554 CB 85 0.567E+00 -0.118E+00 -0.279E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5976 LEU 645 C 562 ASN 554 CG 86 0.637E+00 0.570E+00 -0.126E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5977 LEU 645 C 562 ASN 554 OD1 87 0.650E+00 -0.494E+00 -0.118E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5978 LEU 645 C 562 ASN 554 ND2 88 0.727E+00 -0.588E+00 -0.712E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5979 LEU 645 C 562 LEU 555 N 92 0.676E+00 -0.307E+00 -0.110E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5980 LEU 645 C 562 LEU 555 CA 93 0.707E+00 -0.800E-01 -0.769E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5981 LEU 645 C 562 LEU 555 C 94 0.773E+00 0.385E+00 -0.402E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5982 LEU 645 C 562 LEU 555 O 95 0.755E+00 -0.391E+00 -0.484E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5983 LEU 645 C 562 LEU 555 CB 96 0.824E+00 -0.864E-01 -0.310E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5984 LEU 645 C 562 LEU 555 CG 97 0.819E+00 0.116E+00 -0.321E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5985 LEU 645 C 562 LEU 555 CD1 98 0.963E+00 -0.573E-01 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5986 LEU 645 C 562 LEU 555 CD2 99 0.722E+00 -0.936E-01 -0.679E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5987 LEU 645 C 562 LEU 556 N 101 0.871E+00 -0.194E+00 -0.242E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5988 LEU 645 C 562 LEU 556 CA 102 0.962E+00 -0.471E-01 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5989 LEU 645 C 562 LEU 556 C 103 0.905E+00 0.294E+00 -0.157E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5990 LEU 645 C 562 LEU 556 O 104 0.955E+00 -0.263E+00 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5991 LEU 645 C 562 ARG 557 N 110 0.819E+00 -0.182E+00 -0.349E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5992 LEU 645 C 562 ARG 557 CA 111 0.790E+00 -0.845E-01 -0.397E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5993 LEU 645 C 562 ARG 557 C 112 0.719E+00 0.560E+00 -0.618E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5994 LEU 645 C 562 ARG 557 O 113 0.774E+00 -0.387E+00 -0.417E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5995 LEU 645 C 562 ARG 557 CB 114 0.737E+00 -0.271E-01 -0.602E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5996 LEU 645 C 562 ARG 557 CG 115 0.864E+00 0.664E-02 -0.233E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5997 LEU 645 C 562 ARG 557 CD 116 0.861E+00 0.702E-01 -0.238E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5998 LEU 645 C 562 ARG 557 NE 117 0.813E+00 0.286E+00 -0.366E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
5999 LEU 645 C 562 ARG 557 CZ 118 0.768E+00 0.384E+00 -0.416E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6000 LEU 645 C 562 ARG 557 NH1 119 0.763E+00 -0.471E+00 -0.534E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6001 LEU 645 C 562 ARG 557 NH2 120 0.768E+00 -0.466E+00 -0.516E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6002 LEU 645 C 562 ARG 557 HE 122 0.837E+00 0.700E-01 -0.862E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6003 LEU 645 C 562 ALA 558 N 127 0.634E+00 -0.399E+00 -0.160E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6004 LEU 645 C 562 ALA 558 CA 128 0.597E+00 -0.313E-01 -0.207E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6005 LEU 645 C 562 ALA 558 C 129 0.731E+00 0.424E+00 -0.560E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6006 LEU 645 C 562 ALA 558 O 130 0.772E+00 -0.374E+00 -0.425E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6007 LEU 645 C 562 ALA 558 CB 131 0.522E+00 -0.348E+00 -0.446E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6008 LEU 645 C 562 ILE 559 N 133 0.823E+00 -0.271E+00 -0.339E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6009 LEU 645 C 562 ILE 559 CA 134 0.963E+00 -0.476E-01 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6010 LEU 645 C 562 ILE 559 C 135 0.104E+01 0.238E+00 -0.692E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6011 LEU 645 C 562 ILE 559 CG1 138 0.102E+01 0.945E-02 -0.876E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6012 LEU 645 C 562 GLU 560 N 142 0.103E+01 -0.179E+00 -0.889E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6013 LEU 645 C 562 ALA 561 N 152 0.973E+00 -0.186E+00 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6014 LEU 645 C 562 ALA 561 CA 153 0.964E+00 -0.130E-01 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6015 LEU 645 C 562 ALA 561 C 154 0.102E+01 0.242E+00 -0.746E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6016 LEU 645 C 562 ALA 561 CB 156 0.827E+00 -0.137E+00 -0.302E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6017 LEU 645 C 562 GLN 562 N 158 0.100E+01 -0.171E+00 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6018 LEU 645 C 562 GLN 562 CB 162 0.105E+01 -0.132E-01 -0.730E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6019 LEU 645 C 562 GLN 562 CG 163 0.925E+00 -0.991E-02 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6020 LEU 645 C 562 GLN 562 CD 164 0.926E+00 0.331E+00 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6021 LEU 645 C 562 GLN 562 OE1 165 0.966E+00 -0.291E+00 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6022 LEU 645 C 562 GLN 562 NE2 166 0.905E+00 -0.454E+00 -0.193E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6023 LEU 645 O 563 GLN 550 C 36 0.930E+00 -0.201E+00 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6024 LEU 645 O 563 GLN 550 O 37 0.851E+00 0.312E+00 -0.241E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6025 LEU 645 O 563 GLN 550 CD 40 0.102E+01 -0.280E+00 -0.824E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6026 LEU 645 O 563 GLN 550 NE2 42 0.909E+00 0.439E+00 -0.195E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6027 LEU 645 O 563 GLN 551 N 46 0.919E+00 0.189E+00 -0.182E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6028 LEU 645 O 563 GLN 551 CA 47 0.820E+00 -0.218E-01 -0.333E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6029 LEU 645 O 563 GLN 551 C 48 0.823E+00 -0.245E+00 -0.289E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6030 LEU 645 O 563 GLN 551 O 49 0.730E+00 0.410E+00 -0.603E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6031 LEU 645 O 563 GLN 551 CB 50 0.884E+00 0.166E-01 -0.213E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6032 LEU 645 O 563 GLN 551 CG 51 0.843E+00 0.112E-01 -0.283E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6033 LEU 645 O 563 GLN 551 CD 52 0.718E+00 -0.501E+00 -0.655E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6034 LEU 645 O 563 GLN 551 OE1 53 0.615E+00 0.642E+00 -0.168E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6035 LEU 645 O 563 GLN 551 NE2 54 0.738E+00 0.629E+00 -0.679E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6036 LEU 645 O 563 GLN 552 N 58 0.947E+00 0.180E+00 -0.152E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6037 LEU 645 O 563 GLN 552 CA 59 0.995E+00 -0.160E-01 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6038 LEU 645 O 563 GLN 552 C 60 0.952E+00 -0.194E+00 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6039 LEU 645 O 563 GLN 552 O 61 0.944E+00 0.264E+00 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6040 LEU 645 O 563 ASN 553 N 70 0.947E+00 0.200E+00 -0.152E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6041 LEU 645 O 563 ASN 553 CA 71 0.927E+00 -0.216E-01 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6042 LEU 645 O 563 ASN 553 C 72 0.789E+00 -0.389E+00 -0.373E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6043 LEU 645 O 563 ASN 553 O 73 0.785E+00 0.333E+00 -0.391E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6044 LEU 645 O 563 ASN 553 CB 74 0.975E+00 0.419E-01 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6045 LEU 645 O 563 ASN 553 CG 75 0.102E+01 -0.244E+00 -0.805E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6046 LEU 645 O 563 ASN 553 OD1 76 0.101E+01 0.223E+00 -0.874E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6047 LEU 645 O 563 ASN 554 N 81 0.693E+00 0.345E+00 -0.981E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6048 LEU 645 O 563 ASN 554 CA 82 0.552E+00 -0.582E-01 -0.347E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6049 LEU 645 O 563 ASN 554 C 83 0.534E+00 -0.860E+00 -0.371E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6050 LEU 645 O 563 ASN 554 O 84 0.494E+00 0.878E+00 -0.605E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6051 LEU 645 O 563 ASN 554 CB 85 0.481E+00 0.168E+00 -0.757E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6052 LEU 645 O 563 ASN 554 CG 86 0.549E+00 -0.765E+00 -0.318E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6053 LEU 645 O 563 ASN 554 OD1 87 0.577E+00 0.617E+00 -0.243E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6054 LEU 645 O 563 ASN 554 ND2 88 0.627E+00 0.768E+00 -0.178E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6055 LEU 645 O 563 LEU 555 N 92 0.617E+00 0.360E+00 -0.195E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6056 LEU 645 O 563 LEU 555 CA 93 0.661E+00 0.889E-01 -0.120E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6057 LEU 645 O 563 LEU 555 C 94 0.747E+00 -0.399E+00 -0.517E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6058 LEU 645 O 563 LEU 555 O 95 0.747E+00 0.388E+00 -0.525E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6059 LEU 645 O 563 LEU 555 CB 96 0.767E+00 0.954E-01 -0.496E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6060 LEU 645 O 563 LEU 555 CG 97 0.746E+00 -0.134E+00 -0.589E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6061 LEU 645 O 563 LEU 555 CD1 98 0.887E+00 0.635E-01 -0.208E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6062 LEU 645 O 563 LEU 555 CD2 99 0.652E+00 0.111E+00 -0.130E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6063 LEU 645 O 563 LEU 556 N 101 0.842E+00 0.200E+00 -0.308E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6064 LEU 645 O 563 LEU 556 CA 102 0.946E+00 0.471E-01 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6065 LEU 645 O 563 LEU 556 C 103 0.906E+00 -0.286E+00 -0.163E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6066 LEU 645 O 563 LEU 556 O 104 0.969E+00 0.251E+00 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6067 LEU 645 O 563 LEU 556 CB 105 0.105E+01 0.579E-01 -0.775E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6068 LEU 645 O 563 ARG 557 N 110 0.820E+00 0.177E+00 -0.360E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6069 LEU 645 O 563 ARG 557 CA 111 0.810E+00 0.788E-01 -0.359E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6070 LEU 645 O 563 ARG 557 C 112 0.755E+00 -0.498E+00 -0.485E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6071 LEU 645 O 563 ARG 557 O 113 0.826E+00 0.336E+00 -0.289E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6072 LEU 645 O 563 ARG 557 CB 114 0.752E+00 0.254E-01 -0.559E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6073 LEU 645 O 563 ARG 557 CG 115 0.872E+00 -0.637E-02 -0.231E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6074 LEU 645 O 563 ARG 557 CD 116 0.866E+00 -0.676E-01 -0.240E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6075 LEU 645 O 563 ARG 557 NE 117 0.801E+00 -0.286E+00 -0.416E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6076 LEU 645 O 563 ARG 557 CZ 118 0.755E+00 -0.386E+00 -0.486E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6077 LEU 645 O 563 ARG 557 NH1 119 0.767E+00 0.455E+00 -0.539E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6078 LEU 645 O 563 ARG 557 NH2 120 0.735E+00 0.492E+00 -0.696E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6079 LEU 645 O 563 ARG 557 HE 122 0.813E+00 -0.718E-01 -0.865E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6080 LEU 645 O 563 ALA 558 N 127 0.663E+00 0.354E+00 -0.128E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6081 LEU 645 O 563 ALA 558 CA 128 0.643E+00 0.261E-01 -0.142E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6082 LEU 645 O 563 ALA 558 C 129 0.780E+00 -0.367E+00 -0.399E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6083 LEU 645 O 563 ALA 558 O 130 0.835E+00 0.317E+00 -0.269E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6084 LEU 645 O 563 ALA 558 CB 131 0.553E+00 0.296E+00 -0.343E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6085 LEU 645 O 563 ILE 559 N 133 0.857E+00 0.246E+00 -0.276E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6086 LEU 645 O 563 ILE 559 CA 134 0.999E+00 0.438E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6087 LEU 645 O 563 ILE 559 CG1 138 0.103E+01 -0.910E-02 -0.874E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6088 LEU 645 O 563 ALA 561 N 152 0.104E+01 0.163E+00 -0.844E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6089 LEU 645 O 563 ALA 561 CA 153 0.105E+01 0.112E-01 -0.762E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6090 LEU 645 O 563 ALA 561 CB 156 0.918E+00 0.112E+00 -0.170E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6091 LEU 645 O 563 GLN 562 CG 163 0.100E+01 0.856E-02 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6092 LEU 645 O 563 GLN 562 CD 164 0.991E+00 -0.290E+00 -0.952E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6093 LEU 645 O 563 GLN 562 OE1 165 0.102E+01 0.262E+00 -0.820E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6094 LEU 645 O 563 GLN 562 NE2 166 0.972E+00 0.395E+00 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6095 LEU 645 CB 564 GLN 550 C 36 0.103E+01 -0.443E-01 -0.805E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6096 LEU 645 CB 564 GLN 550 O 37 0.927E+00 0.702E-01 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6097 LEU 645 CB 564 GLN 550 NE2 42 0.101E+01 0.969E-01 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6098 LEU 645 CB 564 GLN 551 CA 47 0.972E+00 -0.427E-02 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6099 LEU 645 CB 564 GLN 551 C 48 0.937E+00 -0.512E-01 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6100 LEU 645 CB 564 GLN 551 O 49 0.831E+00 0.839E-01 -0.307E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6101 LEU 645 CB 564 GLN 551 CG 51 0.105E+01 0.207E-02 -0.821E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6102 LEU 645 CB 564 GLN 551 CD 52 0.951E+00 -0.798E-01 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6103 LEU 645 CB 564 GLN 551 OE1 53 0.844E+00 0.909E-01 -0.281E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6104 LEU 645 CB 564 GLN 551 NE2 54 0.996E+00 0.984E-01 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6105 LEU 645 CB 564 GLN 552 N 58 0.104E+01 0.405E-01 -0.949E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6106 LEU 645 CB 564 GLN 552 C 60 0.964E+00 -0.490E-01 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6107 LEU 645 CB 564 GLN 552 O 61 0.927E+00 0.702E-01 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6108 LEU 645 CB 564 ASN 553 N 70 0.953E+00 0.512E-01 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6109 LEU 645 CB 564 ASN 553 CA 71 0.890E+00 -0.596E-02 -0.220E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6110 LEU 645 CB 564 ASN 553 C 72 0.741E+00 -0.112E+00 -0.583E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6111 LEU 645 CB 564 ASN 553 O 73 0.688E+00 0.110E+00 -0.948E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6112 LEU 645 CB 564 ASN 553 CB 74 0.939E+00 0.114E-01 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6113 LEU 645 CB 564 ASN 553 CG 75 0.937E+00 -0.713E-01 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6114 LEU 645 CB 564 ASN 553 OD1 76 0.891E+00 0.697E-01 -0.203E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6115 LEU 645 CB 564 ASN 553 ND2 77 0.101E+01 0.850E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6116 LEU 645 CB 564 ASN 554 N 81 0.693E+00 0.890E-01 -0.107E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6117 LEU 645 CB 564 ASN 554 CA 82 0.553E+00 -0.149E-01 -0.362E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6118 LEU 645 CB 564 ASN 554 C 83 0.519E+00 -0.237E+00 -0.459E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6119 LEU 645 CB 564 ASN 554 O 84 0.422E+00 0.334E+00 -0.147E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6120 LEU 645 CB 564 ASN 554 CB 85 0.566E+00 0.296E-01 -0.317E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6121 LEU 645 CB 564 ASN 554 CG 86 0.637E+00 -0.143E+00 -0.143E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6122 LEU 645 CB 564 ASN 554 OD1 87 0.617E+00 0.138E+00 -0.180E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6123 LEU 645 CB 564 ASN 554 ND2 88 0.756E+00 0.137E+00 -0.638E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6124 LEU 645 CB 564 LEU 555 N 92 0.631E+00 0.886E-01 -0.185E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6125 LEU 645 CB 564 LEU 555 CA 93 0.664E+00 0.228E-01 -0.126E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6126 LEU 645 CB 564 LEU 555 C 94 0.683E+00 -0.122E+00 -0.943E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6127 LEU 645 CB 564 LEU 555 O 95 0.653E+00 0.130E+00 -0.130E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6128 LEU 645 CB 564 LEU 555 CB 96 0.806E+00 0.225E-01 -0.398E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6129 LEU 645 CB 564 LEU 555 CG 97 0.845E+00 -0.277E-01 -0.300E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6130 LEU 645 CB 564 LEU 555 CD1 98 0.997E+00 0.137E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6131 LEU 645 CB 564 LEU 555 CD2 99 0.779E+00 0.205E-01 -0.488E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6132 LEU 645 CB 564 LEU 556 N 101 0.762E+00 0.614E-01 -0.605E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6133 LEU 645 CB 564 LEU 556 CA 102 0.823E+00 0.152E-01 -0.350E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6134 LEU 645 CB 564 LEU 556 C 103 0.737E+00 -0.106E+00 -0.603E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6135 LEU 645 CB 564 LEU 556 O 104 0.775E+00 0.937E-01 -0.468E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6136 LEU 645 CB 564 LEU 556 CB 105 0.925E+00 0.179E-01 -0.175E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6137 LEU 645 CB 564 LEU 556 CG 106 0.102E+01 -0.205E-01 -0.947E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6138 LEU 645 CB 564 ARG 557 N 110 0.641E+00 0.729E-01 -0.170E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6139 LEU 645 CB 564 ARG 557 CA 111 0.580E+00 0.391E-01 -0.275E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6140 LEU 645 CB 564 ARG 557 C 112 0.509E+00 -0.293E+00 -0.510E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6141 LEU 645 CB 564 ARG 557 O 113 0.554E+00 0.192E+00 -0.341E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6142 LEU 645 CB 564 ARG 557 CB 114 0.522E+00 0.140E-01 -0.500E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6143 LEU 645 CB 564 ARG 557 CG 115 0.653E+00 -0.280E-02 -0.139E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6144 LEU 645 CB 564 ARG 557 CD 116 0.656E+00 -0.291E-01 -0.135E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6145 LEU 645 CB 564 ARG 557 NE 117 0.640E+00 -0.113E+00 -0.171E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6146 LEU 645 CB 564 ARG 557 CZ 118 0.614E+00 -0.150E+00 -0.176E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6147 LEU 645 CB 564 ARG 557 NH1 119 0.597E+00 0.193E+00 -0.257E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6148 LEU 645 CB 564 ARG 557 NH2 120 0.654E+00 0.159E+00 -0.150E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6149 LEU 645 CB 564 ARG 557 HE 122 0.680E+00 -0.258E-01 -0.339E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6150 LEU 645 CB 564 ALA 558 N 127 0.454E+00 0.214E+00 -0.115E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6151 LEU 645 CB 564 ALA 558 CA 128 0.440E+00 0.160E-01 -0.119E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6152 LEU 645 CB 564 ALA 558 C 129 0.582E+00 -0.169E+00 -0.240E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6153 LEU 645 CB 564 ALA 558 O 130 0.622E+00 0.143E+00 -0.172E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6154 LEU 645 CB 564 ALA 558 CB 131 0.427E+00 0.142E+00 -0.135E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6155 LEU 645 CB 564 ILE 559 N 133 0.681E+00 0.966E-01 -0.118E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6156 LEU 645 CB 564 ILE 559 CA 134 0.823E+00 0.154E-01 -0.351E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6157 LEU 645 CB 564 ILE 559 C 135 0.869E+00 -0.784E-01 -0.225E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6158 LEU 645 CB 564 ILE 559 O 136 0.954E+00 0.737E-01 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6159 LEU 645 CB 564 ILE 559 CB 137 0.923E+00 -0.776E-02 -0.177E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6160 LEU 645 CB 564 ILE 559 CG1 138 0.922E+00 -0.275E-02 -0.178E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6161 LEU 645 CB 564 ILE 559 CD1 140 0.102E+01 0.109E-01 -0.969E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6162 LEU 645 CB 564 GLU 560 N 142 0.840E+00 0.617E-01 -0.339E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6163 LEU 645 CB 564 GLU 560 CA 143 0.916E+00 -0.405E-02 -0.185E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6164 LEU 645 CB 564 GLU 560 C 144 0.885E+00 -0.628E-01 -0.202E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6165 LEU 645 CB 564 GLU 560 O 145 0.986E+00 0.671E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6166 LEU 645 CB 564 GLU 560 CB 146 0.916E+00 -0.950E-02 -0.186E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6167 LEU 645 CB 564 GLU 560 CG 147 0.985E+00 0.385E-02 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6168 LEU 645 CB 564 GLU 560 CD 148 0.102E+01 -0.828E-01 -0.885E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6169 LEU 645 CB 564 GLU 560 OE1 149 0.988E+00 0.929E-01 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6170 LEU 645 CB 564 ALA 561 N 152 0.763E+00 0.700E-01 -0.604E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6171 LEU 645 CB 564 ALA 561 CA 153 0.757E+00 0.490E-02 -0.577E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6172 LEU 645 CB 564 ALA 561 C 154 0.841E+00 -0.830E-01 -0.274E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6173 LEU 645 CB 564 ALA 561 O 155 0.940E+00 0.675E-01 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6174 LEU 645 CB 564 ALA 561 CB 156 0.621E+00 0.594E-01 -0.186E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6175 LEU 645 CB 564 GLN 562 N 158 0.835E+00 0.571E-01 -0.353E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6176 LEU 645 CB 564 GLN 562 CA 159 0.937E+00 -0.452E-02 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6177 LEU 645 CB 564 GLN 562 CB 162 0.932E+00 0.394E-02 -0.167E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6178 LEU 645 CB 564 GLN 562 CG 163 0.830E+00 0.298E-02 -0.334E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6179 LEU 645 CB 564 GLN 562 CD 164 0.864E+00 -0.930E-01 -0.233E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6180 LEU 645 CB 564 GLN 562 OE1 165 0.903E+00 0.813E-01 -0.187E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6181 LEU 645 CB 564 GLN 562 NE2 166 0.873E+00 0.121E+00 -0.269E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6182 LEU 645 CG 565 GLN 550 O 37 0.949E+00 -0.903E-01 -0.140E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6183 LEU 645 CG 565 GLN 550 NE2 42 0.101E+01 -0.129E+00 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6184 LEU 645 CG 565 GLN 551 CA 47 0.104E+01 0.519E-02 -0.890E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6185 LEU 645 CG 565 GLN 551 C 48 0.996E+00 0.622E-01 -0.992E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6186 LEU 645 CG 565 GLN 551 O 49 0.896E+00 -0.988E-01 -0.196E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6187 LEU 645 CG 565 GLN 551 OE1 53 0.945E+00 -0.101E+00 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6188 LEU 645 CG 565 GLN 552 C 60 0.991E+00 0.627E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6189 LEU 645 CG 565 GLN 552 O 61 0.952E+00 -0.898E-01 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6190 LEU 645 CG 565 ASN 553 N 70 0.967E+00 -0.668E-01 -0.146E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6191 LEU 645 CG 565 ASN 553 CA 71 0.883E+00 0.805E-02 -0.230E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6192 LEU 645 CG 565 ASN 553 C 72 0.738E+00 0.151E+00 -0.597E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6193 LEU 645 CG 565 ASN 553 O 73 0.672E+00 -0.154E+00 -0.110E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6194 LEU 645 CG 565 ASN 553 CB 74 0.917E+00 -0.158E-01 -0.184E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6195 LEU 645 CG 565 ASN 553 CG 75 0.891E+00 0.103E+00 -0.193E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6196 LEU 645 CG 565 ASN 553 OD1 76 0.836E+00 -0.103E+00 -0.297E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6197 LEU 645 CG 565 ASN 553 ND2 77 0.956E+00 -0.124E+00 -0.157E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6198 LEU 645 CG 565 ASN 554 N 81 0.710E+00 -0.113E+00 -0.923E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6199 LEU 645 CG 565 ASN 554 CA 82 0.583E+00 0.177E-01 -0.267E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6200 LEU 645 CG 565 ASN 554 C 83 0.569E+00 0.257E+00 -0.274E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6201 LEU 645 CG 565 ASN 554 O 84 0.471E+00 -0.338E+00 -0.841E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6202 LEU 645 CG 565 ASN 554 CB 85 0.620E+00 -0.325E-01 -0.188E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6203 LEU 645 CG 565 ASN 554 CG 86 0.669E+00 0.173E+00 -0.106E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6204 LEU 645 CG 565 ASN 554 OD1 87 0.624E+00 -0.180E+00 -0.170E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6205 LEU 645 CG 565 ASN 554 ND2 88 0.796E+00 -0.167E+00 -0.468E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6206 LEU 645 CG 565 LEU 555 N 92 0.692E+00 -0.983E-01 -0.108E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6207 LEU 645 CG 565 LEU 555 CA 93 0.735E+00 -0.249E-01 -0.690E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6208 LEU 645 CG 565 LEU 555 C 94 0.731E+00 0.143E+00 -0.631E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6209 LEU 645 CG 565 LEU 555 O 95 0.701E+00 -0.151E+00 -0.850E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6210 LEU 645 CG 565 LEU 555 CB 96 0.884E+00 -0.257E-01 -0.229E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6211 LEU 645 CG 565 LEU 555 CG 97 0.939E+00 0.312E-01 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6212 LEU 645 CG 565 LEU 555 CD2 99 0.891E+00 -0.217E-01 -0.219E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6213 LEU 645 CG 565 LEU 556 N 101 0.789E+00 -0.770E-01 -0.493E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6214 LEU 645 CG 565 LEU 556 CA 102 0.829E+00 -0.201E-01 -0.336E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6215 LEU 645 CG 565 LEU 556 C 103 0.724E+00 0.145E+00 -0.669E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6216 LEU 645 CG 565 LEU 556 O 104 0.756E+00 -0.131E+00 -0.540E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6217 LEU 645 CG 565 LEU 556 CB 105 0.916E+00 -0.243E-01 -0.185E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6218 LEU 645 CG 565 LEU 556 CG 106 0.100E+01 0.283E-01 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6219 LEU 645 CG 565 ARG 557 N 110 0.617E+00 -0.105E+00 -0.212E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6220 LEU 645 CG 565 ARG 557 CA 111 0.529E+00 -0.641E-01 -0.463E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6221 LEU 645 CG 565 ARG 557 C 112 0.475E+00 0.461E+00 -0.731E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6222 LEU 645 CG 565 ARG 557 O 113 0.507E+00 -0.313E+00 -0.566E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6223 LEU 645 CG 565 ARG 557 CB 114 0.449E+00 -0.268E-01 -0.108E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6224 LEU 645 CG 565 ARG 557 CG 115 0.565E+00 0.507E-02 -0.322E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6225 LEU 645 CG 565 ARG 557 CD 116 0.552E+00 0.561E-01 -0.367E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6226 LEU 645 CG 565 ARG 557 NE 117 0.555E+00 0.205E+00 -0.391E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6227 LEU 645 CG 565 ARG 557 CZ 118 0.528E+00 0.278E+00 -0.416E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6228 LEU 645 CG 565 ARG 557 NH1 119 0.489E+00 -0.405E+00 -0.792E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6229 LEU 645 CG 565 ARG 557 NH2 120 0.592E+00 -0.261E+00 -0.268E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6230 LEU 645 CG 565 ARG 557 HE 122 0.612E+00 0.426E-01 -0.634E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6231 LEU 645 CG 565 ALA 558 N 127 0.462E+00 -0.275E+00 -0.106E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6232 LEU 645 CG 565 ALA 558 CA 128 0.475E+00 -0.177E-01 -0.828E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6233 LEU 645 CG 565 ALA 558 C 129 0.611E+00 0.203E+00 -0.181E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6234 LEU 645 CG 565 ALA 558 O 130 0.646E+00 -0.176E+00 -0.138E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6235 LEU 645 CG 565 ALA 558 CB 131 0.507E+00 -0.125E+00 -0.589E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6236 LEU 645 CG 565 ILE 559 N 133 0.709E+00 -0.119E+00 -0.934E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6237 LEU 645 CG 565 ILE 559 CA 134 0.847E+00 -0.196E-01 -0.297E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6238 LEU 645 CG 565 ILE 559 C 135 0.868E+00 0.105E+00 -0.227E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6239 LEU 645 CG 565 ILE 559 O 136 0.951E+00 -0.987E-01 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6240 LEU 645 CG 565 ILE 559 CB 137 0.950E+00 0.989E-02 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6241 LEU 645 CG 565 ILE 559 CG1 138 0.972E+00 0.339E-02 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6242 LEU 645 CG 565 GLU 560 N 142 0.818E+00 -0.861E-01 -0.397E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6243 LEU 645 CG 565 GLU 560 CA 143 0.873E+00 0.583E-02 -0.246E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6244 LEU 645 CG 565 GLU 560 C 144 0.837E+00 0.919E-01 -0.281E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6245 LEU 645 CG 565 GLU 560 O 145 0.934E+00 -0.970E-01 -0.153E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6246 LEU 645 CG 565 GLU 560 CB 146 0.854E+00 0.142E-01 -0.281E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6247 LEU 645 CG 565 GLU 560 CG 147 0.929E+00 -0.562E-02 -0.171E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6248 LEU 645 CG 565 GLU 560 CD 148 0.944E+00 0.123E+00 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6249 LEU 645 CG 565 GLU 560 OE1 149 0.900E+00 -0.143E+00 -0.191E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6250 LEU 645 CG 565 GLU 560 OE2 150 0.102E+01 -0.118E+00 -0.889E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6251 LEU 645 CG 565 ALA 561 N 152 0.716E+00 -0.105E+00 -0.877E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6252 LEU 645 CG 565 ALA 561 CA 153 0.707E+00 -0.743E-02 -0.865E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6253 LEU 645 CG 565 ALA 561 C 154 0.811E+00 0.118E+00 -0.339E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6254 LEU 645 CG 565 ALA 561 O 155 0.905E+00 -0.954E-01 -0.184E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6255 LEU 645 CG 565 ALA 561 CB 156 0.573E+00 -0.941E-01 -0.296E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6256 LEU 645 CG 565 GLN 562 N 158 0.827E+00 -0.773E-01 -0.372E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6257 LEU 645 CG 565 GLN 562 CA 159 0.944E+00 0.596E-02 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6258 LEU 645 CG 565 GLN 562 CB 162 0.962E+00 -0.501E-02 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6259 LEU 645 CG 565 GLN 562 CG 163 0.875E+00 -0.363E-02 -0.244E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6260 LEU 645 CG 565 GLN 562 CD 164 0.930E+00 0.110E+00 -0.150E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6261 LEU 645 CG 565 GLN 562 OE1 165 0.972E+00 -0.967E-01 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6262 LEU 645 CG 565 GLN 562 NE2 166 0.953E+00 -0.140E+00 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6263 LEU 645 CG 565 HIS 564 HD1 193 0.102E+01 0.228E-01 -0.290E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6264 LEU 645 CD1 566 GLN 550 O 37 0.963E+00 0.566E-01 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6265 LEU 645 CD1 566 GLN 551 C 48 0.998E+00 -0.397E-01 -0.981E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6266 LEU 645 CD1 566 GLN 551 O 49 0.894E+00 0.636E-01 -0.199E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6267 LEU 645 CD1 566 GLN 551 OE1 53 0.991E+00 0.602E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6268 LEU 645 CD1 566 GLN 552 C 60 0.950E+00 -0.428E-01 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6269 LEU 645 CD1 566 GLN 552 O 61 0.895E+00 0.634E-01 -0.198E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6270 LEU 645 CD1 566 ASN 553 N 70 0.933E+00 0.452E-01 -0.181E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6271 LEU 645 CD1 566 ASN 553 CA 71 0.842E+00 -0.558E-02 -0.306E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6272 LEU 645 CD1 566 ASN 553 C 72 0.700E+00 -0.107E+00 -0.816E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6273 LEU 645 CD1 566 ASN 553 O 73 0.614E+00 0.118E+00 -0.185E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6274 LEU 645 CD1 566 ASN 553 CB 74 0.889E+00 0.107E-01 -0.222E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6275 LEU 645 CD1 566 ASN 553 CG 75 0.853E+00 -0.709E-01 -0.251E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6276 LEU 645 CD1 566 ASN 553 OD1 76 0.781E+00 0.746E-01 -0.448E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6277 LEU 645 CD1 566 ASN 553 ND2 77 0.926E+00 0.832E-01 -0.190E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6278 LEU 645 CD1 566 ASN 554 N 81 0.696E+00 0.753E-01 -0.104E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6279 LEU 645 CD1 566 ASN 554 CA 82 0.583E+00 -0.114E-01 -0.269E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6280 LEU 645 CD1 566 ASN 554 C 83 0.547E+00 -0.179E+00 -0.341E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6281 LEU 645 CD1 566 ASN 554 O 84 0.438E+00 0.259E+00 -0.123E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6282 LEU 645 CD1 566 ASN 554 CB 85 0.653E+00 0.187E-01 -0.139E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6283 LEU 645 CD1 566 ASN 554 CG 86 0.717E+00 -0.967E-01 -0.708E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6284 LEU 645 CD1 566 ASN 554 OD1 87 0.674E+00 0.984E-01 -0.107E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6285 LEU 645 CD1 566 ASN 554 ND2 88 0.848E+00 0.958E-01 -0.320E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6286 LEU 645 CD1 566 LEU 555 N 92 0.662E+00 0.688E-01 -0.140E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6287 LEU 645 CD1 566 LEU 555 CA 93 0.690E+00 0.180E-01 -0.100E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6288 LEU 645 CD1 566 LEU 555 C 94 0.657E+00 -0.113E+00 -0.119E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6289 LEU 645 CD1 566 LEU 555 O 95 0.616E+00 0.125E+00 -0.183E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6290 LEU 645 CD1 566 LEU 555 CB 96 0.841E+00 0.179E-01 -0.308E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6291 LEU 645 CD1 566 LEU 555 CG 97 0.919E+00 -0.207E-01 -0.182E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6292 LEU 645 CD1 566 LEU 555 CD2 99 0.883E+00 0.141E-01 -0.231E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6293 LEU 645 CD1 566 LEU 556 N 101 0.706E+00 0.605E-01 -0.954E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6294 LEU 645 CD1 566 LEU 556 CA 102 0.725E+00 0.164E-01 -0.745E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6295 LEU 645 CD1 566 LEU 556 C 103 0.607E+00 -0.133E+00 -0.188E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6296 LEU 645 CD1 566 LEU 556 O 104 0.627E+00 0.121E+00 -0.165E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6297 LEU 645 CD1 566 LEU 556 CB 105 0.815E+00 0.189E-01 -0.374E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6298 LEU 645 CD1 566 LEU 556 CG 106 0.886E+00 -0.219E-01 -0.227E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6299 LEU 645 CD1 566 LEU 556 CD1 107 0.980E+00 0.120E-01 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6300 LEU 645 CD1 566 LEU 556 CD2 108 0.980E+00 0.120E-01 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6301 LEU 645 CD1 566 ARG 557 N 110 0.506E+00 0.105E+00 -0.655E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6302 LEU 645 CD1 566 ARG 557 CA 111 0.403E+00 0.802E-01 -0.164E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6303 LEU 645 CD1 566 ARG 557 C 112 0.339E+00 -0.709E+00 0.576E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6304 LEU 645 CD1 566 ARG 557 O 113 0.361E+00 0.473E+00 -0.245E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6305 LEU 645 CD1 566 ARG 557 CB 114 0.346E+00 0.341E-01 -0.637E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6306 LEU 645 CD1 566 ARG 557 CG 115 0.473E+00 -0.490E-02 -0.840E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6307 LEU 645 CD1 566 ARG 557 CD 116 0.493E+00 -0.467E-01 -0.683E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6308 LEU 645 CD1 566 ARG 557 NE 117 0.529E+00 -0.146E+00 -0.514E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6309 LEU 645 CD1 566 ARG 557 CZ 118 0.538E+00 -0.171E+00 -0.375E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6310 LEU 645 CD1 566 ARG 557 NH1 119 0.511E+00 0.234E+00 -0.623E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6311 LEU 645 CD1 566 ARG 557 NH2 120 0.624E+00 0.150E+00 -0.198E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6312 LEU 645 CD1 566 ARG 557 HE 122 0.583E+00 -0.303E-01 -0.848E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6313 LEU 645 CD1 566 ALA 558 N 127 0.349E+00 0.364E+00 -0.167E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6314 LEU 645 CD1 566 ALA 558 CA 128 0.377E+00 0.205E-01 -0.176E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6315 LEU 645 CD1 566 ALA 558 C 129 0.502E+00 -0.202E+00 -0.547E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6316 LEU 645 CD1 566 ALA 558 O 130 0.539E+00 0.167E+00 -0.397E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6317 LEU 645 CD1 566 ALA 558 CB 131 0.447E+00 0.108E+00 -0.111E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6318 LEU 645 CD1 566 ILE 559 N 133 0.595E+00 0.109E+00 -0.262E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6319 LEU 645 CD1 566 ILE 559 CA 134 0.727E+00 0.164E-01 -0.734E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6320 LEU 645 CD1 566 ILE 559 C 135 0.736E+00 -0.898E-01 -0.608E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6321 LEU 645 CD1 566 ILE 559 O 136 0.820E+00 0.805E-01 -0.334E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6322 LEU 645 CD1 566 ILE 559 CB 137 0.832E+00 -0.786E-02 -0.330E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6323 LEU 645 CD1 566 ILE 559 CG1 138 0.870E+00 -0.259E-02 -0.252E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6324 LEU 645 CD1 566 ILE 559 CG2 139 0.963E+00 0.130E-01 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6325 LEU 645 CD1 566 ILE 559 CD1 140 0.972E+00 0.996E-02 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6326 LEU 645 CD1 566 GLU 560 N 142 0.677E+00 0.782E-01 -0.122E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6327 LEU 645 CD1 566 GLU 560 CA 143 0.728E+00 -0.515E-02 -0.731E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6328 LEU 645 CD1 566 GLU 560 C 144 0.696E+00 -0.824E-01 -0.845E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6329 LEU 645 CD1 566 GLU 560 O 145 0.796E+00 0.810E-01 -0.397E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6330 LEU 645 CD1 566 GLU 560 CB 146 0.706E+00 -0.128E-01 -0.873E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6331 LEU 645 CD1 566 GLU 560 CG 147 0.783E+00 0.478E-02 -0.472E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6332 LEU 645 CD1 566 GLU 560 CD 148 0.804E+00 -0.103E+00 -0.359E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6333 LEU 645 CD1 566 GLU 560 OE1 149 0.762E+00 0.122E+00 -0.517E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6334 LEU 645 CD1 566 GLU 560 OE2 150 0.887E+00 0.939E-01 -0.209E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6335 LEU 645 CD1 566 ALA 561 N 152 0.579E+00 0.104E+00 -0.305E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6336 LEU 645 CD1 566 ALA 561 CA 153 0.585E+00 0.703E-02 -0.264E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6337 LEU 645 CD1 566 ALA 561 C 154 0.698E+00 -0.994E-01 -0.829E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6338 LEU 645 CD1 566 ALA 561 O 155 0.798E+00 0.756E-01 -0.393E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6339 LEU 645 CD1 566 ALA 561 CB 156 0.463E+00 0.992E-01 -0.939E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6340 LEU 645 CD1 566 GLN 562 N 158 0.715E+00 0.645E-01 -0.888E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6341 LEU 645 CD1 566 GLN 562 CA 159 0.840E+00 -0.461E-02 -0.310E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6342 LEU 645 CD1 566 GLN 562 C 160 0.961E+00 -0.421E-01 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6343 LEU 645 CD1 566 GLN 562 CB 162 0.865E+00 0.380E-02 -0.262E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6344 LEU 645 CD1 566 GLN 562 CG 163 0.795E+00 0.274E-02 -0.431E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6345 LEU 645 CD1 566 GLN 562 CD 164 0.860E+00 -0.800E-01 -0.239E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6346 LEU 645 CD1 566 GLN 562 OE1 165 0.894E+00 0.706E-01 -0.199E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6347 LEU 645 CD1 566 GLN 562 NE2 166 0.902E+00 0.979E-01 -0.222E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6348 LEU 645 CD1 566 GLN 563 N 170 0.957E+00 0.391E-01 -0.156E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6349 LEU 645 CD1 566 HIS 564 N 182 0.104E+01 0.470E-01 -0.930E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6350 LEU 645 CD1 566 HIS 564 CB 186 0.103E+01 0.138E-01 -0.919E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6351 LEU 645 CD1 566 HIS 564 CG 187 0.101E+01 -0.260E-01 -0.932E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6352 LEU 645 CD1 566 HIS 564 ND1 188 0.948E+00 0.434E-01 -0.165E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6353 LEU 645 CD1 566 HIS 564 CE1 190 0.973E+00 -0.256E-02 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6354 LEU 645 CD1 566 HIS 564 NE2 191 0.105E+01 0.868E-02 -0.911E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6355 LEU 645 CD1 566 HIS 564 HD1 193 0.912E+00 -0.174E-01 -0.584E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6356 LEU 645 CD2 567 GLN 550 C 36 0.965E+00 -0.418E-01 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6357 LEU 645 CD2 567 GLN 550 O 37 0.853E+00 0.687E-01 -0.264E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6358 LEU 645 CD2 567 GLN 550 CD 40 0.965E+00 -0.666E-01 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6359 LEU 645 CD2 567 GLN 550 OE1 41 0.949E+00 0.642E-01 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6360 LEU 645 CD2 567 GLN 550 NE2 42 0.881E+00 0.102E+00 -0.255E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6361 LEU 645 CD2 567 GLN 551 N 46 0.102E+01 0.356E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6362 LEU 645 CD2 567 GLN 551 CA 47 0.968E+00 -0.367E-02 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6363 LEU 645 CD2 567 GLN 551 C 48 0.941E+00 -0.435E-01 -0.140E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6364 LEU 645 CD2 567 GLN 551 O 49 0.852E+00 0.687E-01 -0.265E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6365 LEU 645 CD2 567 GLN 551 CD 52 0.102E+01 -0.610E-01 -0.843E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6366 LEU 645 CD2 567 GLN 551 OE1 53 0.907E+00 0.690E-01 -0.182E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6367 LEU 645 CD2 567 GLN 552 N 58 0.103E+01 0.350E-01 -0.989E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6368 LEU 645 CD2 567 GLN 552 CA 59 0.105E+01 -0.327E-02 -0.829E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6369 LEU 645 CD2 567 GLN 552 C 60 0.942E+00 -0.434E-01 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6370 LEU 645 CD2 567 GLN 552 O 61 0.918E+00 0.609E-01 -0.170E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6371 LEU 645 CD2 567 ASN 553 N 70 0.899E+00 0.479E-01 -0.226E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6372 LEU 645 CD2 567 ASN 553 CA 71 0.810E+00 -0.597E-02 -0.388E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6373 LEU 645 CD2 567 ASN 553 C 72 0.670E+00 -0.117E+00 -0.106E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6374 LEU 645 CD2 567 ASN 553 O 73 0.616E+00 0.118E+00 -0.183E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6375 LEU 645 CD2 567 ASN 553 CB 74 0.822E+00 0.122E-01 -0.354E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6376 LEU 645 CD2 567 ASN 553 CG 75 0.791E+00 -0.807E-01 -0.393E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6377 LEU 645 CD2 567 ASN 553 OD1 76 0.748E+00 0.807E-01 -0.579E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6378 LEU 645 CD2 567 ASN 553 ND2 77 0.843E+00 0.969E-01 -0.332E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6379 LEU 645 CD2 567 ASN 554 N 81 0.640E+00 0.893E-01 -0.171E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6380 LEU 645 CD2 567 ASN 554 CA 82 0.523E+00 -0.145E-01 -0.497E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6381 LEU 645 CD2 567 ASN 554 C 83 0.548E+00 -0.179E+00 -0.339E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6382 LEU 645 CD2 567 ASN 554 O 84 0.475E+00 0.213E+00 -0.810E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6383 LEU 645 CD2 567 ASN 554 CB 85 0.554E+00 0.266E-01 -0.359E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6384 LEU 645 CD2 567 ASN 554 CG 86 0.574E+00 -0.153E+00 -0.260E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6385 LEU 645 CD2 567 ASN 554 OD1 87 0.509E+00 0.181E+00 -0.551E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6386 LEU 645 CD2 567 ASN 554 ND2 88 0.699E+00 0.136E+00 -0.101E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6387 LEU 645 CD2 567 LEU 555 N 92 0.680E+00 0.652E-01 -0.120E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6388 LEU 645 CD2 567 LEU 555 CA 93 0.750E+00 0.154E-01 -0.609E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6389 LEU 645 CD2 567 LEU 555 C 94 0.756E+00 -0.861E-01 -0.519E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6390 LEU 645 CD2 567 LEU 555 O 95 0.749E+00 0.852E-01 -0.573E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6391 LEU 645 CD2 567 LEU 555 CB 96 0.897E+00 0.161E-01 -0.210E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6392 LEU 645 CD2 567 LEU 555 CG 97 0.946E+00 -0.197E-01 -0.153E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6393 LEU 645 CD2 567 LEU 555 CD2 99 0.913E+00 0.134E-01 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6394 LEU 645 CD2 567 LEU 556 N 101 0.796E+00 0.485E-01 -0.468E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6395 LEU 645 CD2 567 LEU 556 CA 102 0.841E+00 0.126E-01 -0.309E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6396 LEU 645 CD2 567 LEU 556 C 103 0.744E+00 -0.885E-01 -0.568E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6397 LEU 645 CD2 567 LEU 556 O 104 0.794E+00 0.766E-01 -0.404E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6398 LEU 645 CD2 567 LEU 556 CB 105 0.907E+00 0.158E-01 -0.196E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6399 LEU 645 CD2 567 LEU 556 CG 106 0.995E+00 -0.183E-01 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6400 LEU 645 CD2 567 ARG 557 N 110 0.623E+00 0.660E-01 -0.200E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6401 LEU 645 CD2 567 ARG 557 CA 111 0.545E+00 0.384E-01 -0.394E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6402 LEU 645 CD2 567 ARG 557 C 112 0.532E+00 -0.226E+00 -0.399E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6403 LEU 645 CD2 567 ARG 557 O 113 0.582E+00 0.147E+00 -0.256E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6404 LEU 645 CD2 567 ARG 557 CB 114 0.429E+00 0.193E-01 -0.132E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6405 LEU 645 CD2 567 ARG 557 CG 115 0.514E+00 -0.402E-02 -0.543E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6406 LEU 645 CD2 567 ARG 557 CD 116 0.467E+00 -0.531E-01 -0.898E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6407 LEU 645 CD2 567 ARG 557 NE 117 0.444E+00 -0.223E+00 -0.129E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6408 LEU 645 CD2 567 ARG 557 CZ 118 0.394E+00 -0.369E+00 -0.153E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6409 LEU 645 CD2 567 ARG 557 NH1 119 0.352E+00 0.604E+00 -0.181E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6410 LEU 645 CD2 567 ARG 557 NH2 120 0.450E+00 0.317E+00 -0.121E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6411 LEU 645 CD2 567 ARG 557 HE 122 0.506E+00 -0.419E-01 -0.199E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6412 LEU 645 CD2 567 ALA 558 N 127 0.530E+00 0.127E+00 -0.507E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6413 LEU 645 CD2 567 ALA 558 CA 128 0.576E+00 0.727E-02 -0.288E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6414 LEU 645 CD2 567 ALA 558 C 129 0.717E+00 -0.943E-01 -0.706E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6415 LEU 645 CD2 567 ALA 558 O 130 0.767E+00 0.811E-01 -0.498E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6416 LEU 645 CD2 567 ALA 558 CB 131 0.603E+00 0.540E-01 -0.221E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6417 LEU 645 CD2 567 ILE 559 N 133 0.799E+00 0.612E-01 -0.457E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6418 LEU 645 CD2 567 ILE 559 CA 134 0.940E+00 0.106E-01 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6419 LEU 645 CD2 567 ILE 559 C 135 0.961E+00 -0.571E-01 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6420 LEU 645 CD2 567 ILE 559 CB 137 0.103E+01 -0.564E-02 -0.931E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6421 LEU 645 CD2 567 ILE 559 CG1 138 0.105E+01 -0.194E-02 -0.828E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6422 LEU 645 CD2 567 GLU 560 N 142 0.899E+00 0.472E-01 -0.227E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6423 LEU 645 CD2 567 GLU 560 CA 143 0.951E+00 -0.327E-02 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6424 LEU 645 CD2 567 GLU 560 C 144 0.929E+00 -0.497E-01 -0.151E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6425 LEU 645 CD2 567 GLU 560 O 145 0.103E+01 0.537E-01 -0.853E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6426 LEU 645 CD2 567 GLU 560 CB 146 0.911E+00 -0.819E-02 -0.192E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6427 LEU 645 CD2 567 GLU 560 CG 147 0.968E+00 0.337E-02 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6428 LEU 645 CD2 567 GLU 560 CD 148 0.961E+00 -0.768E-01 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6429 LEU 645 CD2 567 GLU 560 OE1 149 0.911E+00 0.899E-01 -0.178E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6430 LEU 645 CD2 567 GLU 560 OE2 150 0.103E+01 0.748E-01 -0.861E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6431 LEU 645 CD2 567 ALA 561 N 152 0.817E+00 0.530E-01 -0.402E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6432 LEU 645 CD2 567 ALA 561 CA 153 0.821E+00 0.363E-02 -0.358E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6433 LEU 645 CD2 567 ALA 561 C 154 0.936E+00 -0.596E-01 -0.144E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6434 LEU 645 CD2 567 ALA 561 O 155 0.103E+01 0.502E-01 -0.846E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6435 LEU 645 CD2 567 ALA 561 CB 156 0.696E+00 0.404E-01 -0.955E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6436 LEU 645 CD2 567 GLN 562 N 158 0.955E+00 0.392E-01 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6437 LEU 645 CD2 567 GLN 562 CG 163 0.101E+01 0.185E-02 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6438 ILE 646 N 569 GLN 551 CA 47 0.103E+01 -0.123E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6439 ILE 646 N 569 GLN 551 C 48 0.102E+01 -0.142E+00 -0.964E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6440 ILE 646 N 569 GLN 551 O 49 0.913E+00 0.225E+00 -0.189E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6441 ILE 646 N 569 GLN 551 CG 51 0.103E+01 0.668E-02 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6442 ILE 646 N 569 GLN 551 CD 52 0.898E+00 -0.273E+00 -0.202E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6443 ILE 646 N 569 GLN 551 OE1 53 0.807E+00 0.307E+00 -0.397E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6444 ILE 646 N 569 GLN 551 NE2 54 0.899E+00 0.361E+00 -0.245E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6445 ILE 646 N 569 ASN 553 C 72 0.953E+00 -0.230E+00 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6446 ILE 646 N 569 ASN 553 O 73 0.927E+00 0.204E+00 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6447 ILE 646 N 569 ASN 554 N 81 0.874E+00 0.184E+00 -0.292E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6448 ILE 646 N 569 ASN 554 CA 82 0.729E+00 -0.265E-01 -0.793E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6449 ILE 646 N 569 ASN 554 C 83 0.680E+00 -0.415E+00 -0.106E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6450 ILE 646 N 569 ASN 554 O 84 0.608E+00 0.443E+00 -0.213E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6451 ILE 646 N 569 ASN 554 CB 85 0.684E+00 0.626E-01 -0.116E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6452 ILE 646 N 569 ASN 554 CG 86 0.762E+00 -0.316E+00 -0.536E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6453 ILE 646 N 569 ASN 554 OD1 87 0.781E+00 0.273E+00 -0.482E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6454 ILE 646 N 569 ASN 554 ND2 88 0.848E+00 0.351E+00 -0.348E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6455 ILE 646 N 569 LEU 555 N 92 0.758E+00 0.194E+00 -0.680E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6456 ILE 646 N 569 LEU 555 CA 93 0.768E+00 0.540E-01 -0.580E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6457 ILE 646 N 569 LEU 555 C 94 0.831E+00 -0.267E+00 -0.322E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6458 ILE 646 N 569 LEU 555 O 95 0.798E+00 0.279E+00 -0.425E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6459 ILE 646 N 569 LEU 555 CB 96 0.877E+00 0.612E-01 -0.262E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6460 ILE 646 N 569 LEU 555 CG 97 0.870E+00 -0.827E-01 -0.275E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6461 ILE 646 N 569 LEU 555 CD1 98 0.101E+01 0.422E-01 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6462 ILE 646 N 569 LEU 555 CD2 99 0.757E+00 0.675E-01 -0.631E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6463 ILE 646 N 569 LEU 556 N 101 0.940E+00 0.135E+00 -0.189E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6464 ILE 646 N 569 LEU 556 CA 102 0.103E+01 0.336E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6465 ILE 646 N 569 LEU 556 C 103 0.970E+00 -0.208E+00 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6466 ILE 646 N 569 LEU 556 O 104 0.101E+01 0.191E+00 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6467 ILE 646 N 569 ARG 557 N 110 0.896E+00 0.124E+00 -0.251E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6468 ILE 646 N 569 ARG 557 CA 111 0.864E+00 0.571E-01 -0.287E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6469 ILE 646 N 569 ARG 557 C 112 0.774E+00 -0.385E+00 -0.491E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6470 ILE 646 N 569 ARG 557 O 113 0.816E+00 0.278E+00 -0.372E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6471 ILE 646 N 569 ARG 557 CB 114 0.828E+00 0.173E-01 -0.371E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6472 ILE 646 N 569 ARG 557 CG 115 0.963E+00 -0.440E-02 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6473 ILE 646 N 569 ARG 557 CD 116 0.970E+00 -0.457E-01 -0.144E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6474 ILE 646 N 569 ARG 557 NE 117 0.933E+00 -0.179E+00 -0.197E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6475 ILE 646 N 569 ARG 557 CZ 118 0.893E+00 -0.234E+00 -0.208E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6476 ILE 646 N 569 ARG 557 NH1 119 0.882E+00 0.289E+00 -0.275E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6477 ILE 646 N 569 ARG 557 NH2 120 0.899E+00 0.280E+00 -0.247E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6478 ILE 646 N 569 ARG 557 HE 122 0.959E+00 -0.443E-01 -0.439E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6479 ILE 646 N 569 ALA 558 N 127 0.682E+00 0.271E+00 -0.127E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6480 ILE 646 N 569 ALA 558 CA 128 0.618E+00 0.229E-01 -0.210E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6481 ILE 646 N 569 ALA 558 C 129 0.735E+00 -0.330E+00 -0.666E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6482 ILE 646 N 569 ALA 558 O 130 0.759E+00 0.303E+00 -0.571E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6483 ILE 646 N 569 ALA 558 CB 131 0.534E+00 0.259E+00 -0.487E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6484 ILE 646 N 569 ILE 559 N 133 0.835E+00 0.208E+00 -0.381E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6485 ILE 646 N 569 ILE 559 CA 134 0.966E+00 0.372E-01 -0.147E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6486 ILE 646 N 569 ILE 559 C 135 0.104E+01 -0.186E+00 -0.822E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6487 ILE 646 N 569 ILE 559 CG1 138 0.103E+01 -0.736E-02 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6488 ILE 646 N 569 ALA 561 N 152 0.984E+00 0.144E+00 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6489 ILE 646 N 569 ALA 561 CA 153 0.963E+00 0.103E-01 -0.150E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6490 ILE 646 N 569 ALA 561 C 154 0.100E+01 -0.196E+00 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6491 ILE 646 N 569 ALA 561 CB 156 0.825E+00 0.108E+00 -0.378E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6492 ILE 646 N 569 GLN 562 N 158 0.974E+00 0.140E+00 -0.152E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6493 ILE 646 N 569 GLN 562 CA 159 0.104E+01 -0.122E-01 -0.956E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6494 ILE 646 N 569 GLN 562 CB 162 0.100E+01 0.111E-01 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6495 ILE 646 N 569 GLN 562 CG 163 0.869E+00 0.864E-02 -0.278E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6496 ILE 646 N 569 GLN 562 CD 164 0.863E+00 -0.292E+00 -0.257E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6497 ILE 646 N 569 GLN 562 OE1 165 0.913E+00 0.250E+00 -0.190E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6498 ILE 646 N 569 GLN 562 NE2 166 0.825E+00 0.416E+00 -0.411E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6499 ILE 646 CA 570 GLN 551 CA 47 0.103E+01 -0.280E-02 -0.941E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6500 ILE 646 CA 570 GLN 551 C 48 0.102E+01 -0.319E-01 -0.866E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6501 ILE 646 CA 570 GLN 551 O 49 0.919E+00 0.504E-01 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6502 ILE 646 CA 570 GLN 551 CG 51 0.987E+00 0.160E-02 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6503 ILE 646 CA 570 GLN 551 CD 52 0.852E+00 -0.674E-01 -0.254E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6504 ILE 646 CA 570 GLN 551 OE1 53 0.775E+00 0.746E-01 -0.467E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6505 ILE 646 CA 570 GLN 551 NE2 54 0.833E+00 0.926E-01 -0.357E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6506 ILE 646 CA 570 ASN 553 C 72 0.102E+01 -0.473E-01 -0.888E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6507 ILE 646 CA 570 ASN 553 O 73 0.100E+01 0.411E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6508 ILE 646 CA 570 ASN 554 N 81 0.927E+00 0.378E-01 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6509 ILE 646 CA 570 ASN 554 CA 82 0.787E+00 -0.521E-02 -0.460E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6510 ILE 646 CA 570 ASN 554 C 83 0.728E+00 -0.823E-01 -0.645E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6511 ILE 646 CA 570 ASN 554 O 84 0.669E+00 0.823E-01 -0.112E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6512 ILE 646 CA 570 ASN 554 CB 85 0.727E+00 0.126E-01 -0.733E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6513 ILE 646 CA 570 ASN 554 CG 86 0.815E+00 -0.636E-01 -0.330E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6514 ILE 646 CA 570 ASN 554 OD1 87 0.853E+00 0.531E-01 -0.264E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6515 ILE 646 CA 570 ASN 554 ND2 88 0.885E+00 0.741E-01 -0.248E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6516 ILE 646 CA 570 LEU 555 N 92 0.785E+00 0.412E-01 -0.508E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6517 ILE 646 CA 570 LEU 555 CA 93 0.782E+00 0.118E-01 -0.477E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6518 ILE 646 CA 570 LEU 555 C 94 0.860E+00 -0.569E-01 -0.239E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6519 ILE 646 CA 570 LEU 555 O 95 0.830E+00 0.588E-01 -0.310E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6520 ILE 646 CA 570 LEU 555 CB 96 0.871E+00 0.140E-01 -0.250E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6521 ILE 646 CA 570 LEU 555 CG 97 0.844E+00 -0.197E-01 -0.302E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6522 ILE 646 CA 570 LEU 555 CD1 98 0.970E+00 0.101E-01 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6523 ILE 646 CA 570 LEU 555 CD2 99 0.716E+00 0.169E-01 -0.807E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6524 ILE 646 CA 570 LEU 556 N 101 0.978E+00 0.288E-01 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6525 ILE 646 CA 570 LEU 556 C 103 0.104E+01 -0.427E-01 -0.789E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6526 ILE 646 CA 570 ARG 557 N 110 0.973E+00 0.246E-01 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6527 ILE 646 CA 570 ARG 557 CA 111 0.958E+00 0.110E-01 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6528 ILE 646 CA 570 ARG 557 C 112 0.865E+00 -0.718E-01 -0.231E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6529 ILE 646 CA 570 ARG 557 O 113 0.912E+00 0.522E-01 -0.176E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6530 ILE 646 CA 570 ARG 557 CB 114 0.934E+00 0.322E-02 -0.165E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6531 ILE 646 CA 570 ARG 557 NE 117 0.104E+01 -0.343E-01 -0.926E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6532 ILE 646 CA 570 ARG 557 CZ 118 0.101E+01 -0.439E-01 -0.926E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6533 ILE 646 CA 570 ARG 557 NH1 119 0.101E+01 0.532E-01 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6534 ILE 646 CA 570 ARG 557 NH2 120 0.100E+01 0.536E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6535 ILE 646 CA 570 ALA 558 N 127 0.760E+00 0.499E-01 -0.616E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6536 ILE 646 CA 570 ALA 558 CA 128 0.686E+00 0.419E-02 -0.104E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6537 ILE 646 CA 570 ALA 558 C 129 0.791E+00 -0.654E-01 -0.395E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6538 ILE 646 CA 570 ALA 558 O 130 0.816E+00 0.602E-01 -0.342E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6539 ILE 646 CA 570 ALA 558 CB 131 0.578E+00 0.492E-01 -0.283E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6540 ILE 646 CA 570 ILE 559 N 133 0.881E+00 0.430E-01 -0.255E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6541 ILE 646 CA 570 ILE 559 CA 134 0.100E+01 0.795E-02 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6542 ILE 646 CA 570 ILE 559 CG1 138 0.104E+01 -0.164E-02 -0.889E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6543 ILE 646 CA 570 ALA 561 CB 156 0.926E+00 0.203E-01 -0.174E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6544 ILE 646 CA 570 GLN 562 N 158 0.104E+01 0.287E-01 -0.955E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6545 ILE 646 CA 570 GLN 562 CB 162 0.103E+01 0.239E-02 -0.901E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6546 ILE 646 CA 570 GLN 562 CG 163 0.894E+00 0.186E-02 -0.214E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6547 ILE 646 CA 570 GLN 562 CD 164 0.865E+00 -0.657E-01 -0.232E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6548 ILE 646 CA 570 GLN 562 OE1 165 0.909E+00 0.570E-01 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6549 ILE 646 CA 570 GLN 562 NE2 166 0.813E+00 0.965E-01 -0.413E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6550 ILE 646 C 571 GLN 551 CA 47 0.102E+01 0.157E-01 -0.854E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6551 ILE 646 C 571 GLN 551 C 48 0.104E+01 0.174E+00 -0.689E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6552 ILE 646 C 571 GLN 551 O 49 0.950E+00 -0.267E+00 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6553 ILE 646 C 571 GLN 551 CB 50 0.105E+01 -0.131E-01 -0.731E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6554 ILE 646 C 571 GLN 551 CG 51 0.975E+00 -0.908E-02 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6555 ILE 646 C 571 GLN 551 CD 52 0.831E+00 0.392E+00 -0.260E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6556 ILE 646 C 571 GLN 551 OE1 53 0.756E+00 -0.436E+00 -0.482E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6557 ILE 646 C 571 GLN 551 NE2 54 0.803E+00 -0.550E+00 -0.395E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6558 ILE 646 C 571 ASN 554 N 81 0.970E+00 -0.197E+00 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6559 ILE 646 C 571 ASN 554 CA 82 0.833E+00 0.263E-01 -0.289E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6560 ILE 646 C 571 ASN 554 C 83 0.798E+00 0.389E+00 -0.333E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6561 ILE 646 C 571 ASN 554 O 84 0.756E+00 -0.364E+00 -0.482E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6562 ILE 646 C 571 ASN 554 CB 85 0.749E+00 -0.663E-01 -0.545E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6563 ILE 646 C 571 ASN 554 CG 86 0.817E+00 0.353E+00 -0.290E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6564 ILE 646 C 571 ASN 554 OD1 87 0.857E+00 -0.294E+00 -0.227E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6565 ILE 646 C 571 ASN 554 ND2 88 0.870E+00 -0.425E+00 -0.245E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6566 ILE 646 C 571 LEU 555 N 92 0.856E+00 -0.198E+00 -0.269E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6567 ILE 646 C 571 LEU 555 CA 93 0.869E+00 -0.550E-01 -0.225E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6568 ILE 646 C 571 LEU 555 C 94 0.963E+00 0.265E+00 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6569 ILE 646 C 571 LEU 555 O 95 0.947E+00 -0.265E+00 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6570 ILE 646 C 571 LEU 555 CB 96 0.950E+00 -0.680E-01 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6571 ILE 646 C 571 LEU 555 CG 97 0.904E+00 0.981E-01 -0.178E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6572 ILE 646 C 571 LEU 555 CD1 98 0.102E+01 -0.520E-01 -0.842E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6573 ILE 646 C 571 LEU 555 CD2 99 0.777E+00 -0.813E-01 -0.440E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6574 ILE 646 C 571 ARG 557 C 112 0.987E+00 0.326E+00 -0.934E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6575 ILE 646 C 571 ARG 557 O 113 0.104E+01 -0.239E+00 -0.713E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6576 ILE 646 C 571 ARG 557 CB 114 0.103E+01 -0.156E-01 -0.828E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6577 ILE 646 C 571 ARG 557 CZ 118 0.105E+01 0.232E+00 -0.660E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6578 ILE 646 C 571 ARG 557 NH1 119 0.105E+01 -0.282E+00 -0.814E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6579 ILE 646 C 571 ARG 557 NH2 120 0.102E+01 -0.290E+00 -0.925E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6580 ILE 646 C 571 ALA 558 N 127 0.884E+00 -0.214E+00 -0.221E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6581 ILE 646 C 571 ALA 558 CA 128 0.823E+00 -0.167E-01 -0.312E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6582 ILE 646 C 571 ALA 558 C 129 0.935E+00 0.276E+00 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6583 ILE 646 C 571 ALA 558 O 130 0.965E+00 -0.256E+00 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6584 ILE 646 C 571 ALA 558 CB 131 0.714E+00 -0.178E+00 -0.726E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6585 ILE 646 C 571 ILE 559 N 133 0.102E+01 -0.191E+00 -0.931E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6586 ILE 646 C 571 GLN 562 CG 163 0.105E+01 -0.820E-02 -0.743E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6587 ILE 646 C 571 GLN 562 CD 164 0.101E+01 0.286E+00 -0.792E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6588 ILE 646 C 571 GLN 562 NE2 166 0.957E+00 -0.412E+00 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6589 ILE 646 O 572 GLN 551 CA 47 0.967E+00 -0.186E-01 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6590 ILE 646 O 572 GLN 551 C 48 0.992E+00 -0.202E+00 -0.945E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6591 ILE 646 O 572 GLN 551 O 49 0.912E+00 0.310E+00 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6592 ILE 646 O 572 GLN 551 CB 50 0.978E+00 0.158E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6593 ILE 646 O 572 GLN 551 CG 51 0.896E+00 0.113E-01 -0.197E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6594 ILE 646 O 572 GLN 551 CD 52 0.748E+00 -0.514E+00 -0.510E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6595 ILE 646 O 572 GLN 551 OE1 53 0.683E+00 0.576E+00 -0.896E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6596 ILE 646 O 572 GLN 551 NE2 54 0.707E+00 0.758E+00 -0.876E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6597 ILE 646 O 572 ASN 554 N 81 0.967E+00 0.215E+00 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6598 ILE 646 O 572 ASN 554 CA 82 0.838E+00 -0.283E-01 -0.292E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6599 ILE 646 O 572 ASN 554 C 83 0.806E+00 -0.416E+00 -0.329E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6600 ILE 646 O 572 ASN 554 O 84 0.781E+00 0.374E+00 -0.404E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6601 ILE 646 O 572 ASN 554 CB 85 0.740E+00 0.739E-01 -0.615E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6602 ILE 646 O 572 ASN 554 CG 86 0.807E+00 -0.393E+00 -0.326E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6603 ILE 646 O 572 ASN 554 OD1 87 0.862E+00 0.317E+00 -0.223E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6604 ILE 646 O 572 ASN 554 ND2 88 0.843E+00 0.488E+00 -0.305E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6605 ILE 646 O 572 LEU 555 N 92 0.849E+00 0.219E+00 -0.292E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6606 ILE 646 O 572 LEU 555 CA 93 0.864E+00 0.605E-01 -0.244E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6607 ILE 646 O 572 LEU 555 C 94 0.972E+00 -0.285E+00 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6608 ILE 646 O 572 LEU 555 O 95 0.968E+00 0.279E+00 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6609 ILE 646 O 572 LEU 555 CB 96 0.928E+00 0.769E-01 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6610 ILE 646 O 572 LEU 555 CG 97 0.863E+00 -0.115E+00 -0.245E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6611 ILE 646 O 572 LEU 555 CD1 98 0.973E+00 0.611E-01 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6612 ILE 646 O 572 LEU 555 CD2 99 0.734E+00 0.982E-01 -0.645E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6613 ILE 646 O 572 ARG 557 C 112 0.105E+01 -0.325E+00 -0.682E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6614 ILE 646 O 572 ALA 558 N 127 0.939E+00 0.212E+00 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6615 ILE 646 O 572 ALA 558 CA 128 0.884E+00 0.162E-01 -0.213E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6616 ILE 646 O 572 ALA 558 C 129 0.994E+00 -0.274E+00 -0.934E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6617 ILE 646 O 572 ALA 558 O 130 0.103E+01 0.252E+00 -0.751E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6618 ILE 646 O 572 ALA 558 CB 131 0.763E+00 0.171E+00 -0.514E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6619 ILE 646 O 572 GLN 562 NE2 166 0.102E+01 0.412E+00 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6620 ILE 646 CB 573 GLN 551 O 49 0.104E+01 -0.253E-01 -0.782E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6621 ILE 646 CB 573 GLN 551 CD 52 0.974E+00 0.331E-01 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6622 ILE 646 CB 573 GLN 551 OE1 53 0.907E+00 -0.348E-01 -0.183E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6623 ILE 646 CB 573 GLN 551 NE2 54 0.944E+00 -0.459E-01 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6624 ILE 646 CB 573 ASN 554 CA 82 0.918E+00 0.244E-02 -0.183E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6625 ILE 646 CB 573 ASN 554 C 83 0.845E+00 0.384E-01 -0.266E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6626 ILE 646 CB 573 ASN 554 O 84 0.776E+00 -0.378E-01 -0.465E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6627 ILE 646 CB 573 ASN 554 CB 85 0.870E+00 -0.557E-02 -0.253E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6628 ILE 646 CB 573 ASN 554 CG 86 0.964E+00 0.294E-01 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6629 ILE 646 CB 573 ASN 554 OD1 87 0.100E+01 -0.251E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6630 ILE 646 CB 573 ASN 554 ND2 88 0.104E+01 -0.354E-01 -0.964E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6631 ILE 646 CB 573 LEU 555 N 92 0.895E+00 -0.201E-01 -0.233E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6632 ILE 646 CB 573 LEU 555 CA 93 0.872E+00 -0.596E-02 -0.249E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6633 ILE 646 CB 573 LEU 555 C 94 0.938E+00 0.301E-01 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6634 ILE 646 CB 573 LEU 555 O 95 0.891E+00 -0.318E-01 -0.203E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6635 ILE 646 CB 573 LEU 555 CB 96 0.956E+00 -0.734E-02 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6636 ILE 646 CB 573 LEU 555 CG 97 0.935E+00 0.101E-01 -0.163E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6637 ILE 646 CB 573 LEU 555 CD2 99 0.799E+00 -0.842E-02 -0.420E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6638 ILE 646 CB 573 ARG 557 CA 111 0.103E+01 -0.595E-02 -0.900E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6639 ILE 646 CB 573 ARG 557 C 112 0.924E+00 0.393E-01 -0.156E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6640 ILE 646 CB 573 ARG 557 O 113 0.955E+00 -0.295E-01 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6641 ILE 646 CB 573 ARG 557 CB 114 0.102E+01 -0.170E-02 -0.949E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6642 ILE 646 CB 573 ALA 558 N 127 0.819E+00 -0.266E-01 -0.395E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6643 ILE 646 CB 573 ALA 558 CA 128 0.722E+00 -0.231E-02 -0.765E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6644 ILE 646 CB 573 ALA 558 C 129 0.805E+00 0.386E-01 -0.357E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6645 ILE 646 CB 573 ALA 558 O 130 0.810E+00 -0.371E-01 -0.360E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6646 ILE 646 CB 573 ALA 558 CB 131 0.618E+00 -0.259E-01 -0.192E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6647 ILE 646 CB 573 ILE 559 N 133 0.902E+00 -0.252E-01 -0.222E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6648 ILE 646 CB 573 ILE 559 CA 134 0.101E+01 -0.478E-02 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6649 ILE 646 CB 573 ALA 561 CA 153 0.105E+01 -0.125E-02 -0.829E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6650 ILE 646 CB 573 ALA 561 CB 156 0.921E+00 -0.124E-01 -0.179E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6651 ILE 646 CB 573 GLN 562 N 158 0.100E+01 -0.183E-01 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6652 ILE 646 CB 573 GLN 562 CA 159 0.104E+01 0.168E-02 -0.886E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6653 ILE 646 CB 573 GLN 562 CB 162 0.978E+00 -0.158E-02 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6654 ILE 646 CB 573 GLN 562 CG 163 0.832E+00 -0.128E-02 -0.329E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6655 ILE 646 CB 573 GLN 562 CD 164 0.798E+00 0.459E-01 -0.376E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6656 ILE 646 CB 573 GLN 562 OE1 165 0.854E+00 -0.383E-01 -0.261E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6657 ILE 646 CB 573 GLN 562 NE2 166 0.727E+00 -0.718E-01 -0.805E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6658 ILE 646 CG1 574 GLN 551 O 49 0.104E+01 -0.901E-02 -0.796E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6659 ILE 646 CG1 574 GLN 551 CD 52 0.101E+01 0.111E-01 -0.893E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6660 ILE 646 CG1 574 GLN 551 OE1 53 0.949E+00 -0.115E-01 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6661 ILE 646 CG1 574 GLN 551 NE2 54 0.993E+00 -0.151E-01 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6662 ILE 646 CG1 574 ASN 554 N 81 0.105E+01 -0.682E-02 -0.913E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6663 ILE 646 CG1 574 ASN 554 CA 82 0.909E+00 0.881E-03 -0.194E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6664 ILE 646 CG1 574 ASN 554 C 83 0.816E+00 0.144E-01 -0.327E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6665 ILE 646 CG1 574 ASN 554 O 84 0.735E+00 -0.148E-01 -0.644E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6666 ILE 646 CG1 574 ASN 554 CB 85 0.885E+00 -0.192E-02 -0.228E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6667 ILE 646 CG1 574 ASN 554 CG 86 0.993E+00 0.998E-02 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6668 ILE 646 CG1 574 ASN 554 OD1 87 0.103E+01 -0.857E-02 -0.864E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6669 ILE 646 CG1 574 LEU 555 N 92 0.860E+00 -0.760E-02 -0.294E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6670 ILE 646 CG1 574 LEU 555 CA 93 0.818E+00 -0.235E-02 -0.364E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6671 ILE 646 CG1 574 LEU 555 C 94 0.866E+00 0.121E-01 -0.230E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6672 ILE 646 CG1 574 LEU 555 O 95 0.803E+00 -0.134E-01 -0.379E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6673 ILE 646 CG1 574 LEU 555 CB 96 0.906E+00 -0.284E-02 -0.198E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6674 ILE 646 CG1 574 LEU 555 CG 97 0.905E+00 0.379E-02 -0.199E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6675 ILE 646 CG1 574 LEU 555 CD1 98 0.102E+01 -0.202E-02 -0.964E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6676 ILE 646 CG1 574 LEU 555 CD2 99 0.772E+00 -0.318E-02 -0.515E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6677 ILE 646 CG1 574 LEU 556 N 101 0.992E+00 -0.608E-02 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6678 ILE 646 CG1 574 LEU 556 C 103 0.102E+01 0.943E-02 -0.867E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6679 ILE 646 CG1 574 LEU 556 O 104 0.103E+01 -0.902E-02 -0.842E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6680 ILE 646 CG1 574 ARG 557 N 110 0.980E+00 -0.525E-02 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6681 ILE 646 CG1 574 ARG 557 CA 111 0.956E+00 -0.237E-02 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6682 ILE 646 CG1 574 ARG 557 C 112 0.835E+00 0.164E-01 -0.287E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6683 ILE 646 CG1 574 ARG 557 O 113 0.855E+00 -0.125E-01 -0.259E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6684 ILE 646 CG1 574 ARG 557 CB 114 0.967E+00 -0.658E-03 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6685 ILE 646 CG1 574 ALA 558 N 127 0.729E+00 -0.116E-01 -0.788E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6686 ILE 646 CG1 574 ALA 558 CA 128 0.616E+00 -0.112E-02 -0.194E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6687 ILE 646 CG1 574 ALA 558 C 129 0.681E+00 0.187E-01 -0.963E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6688 ILE 646 CG1 574 ALA 558 O 130 0.676E+00 -0.184E-01 -0.105E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6689 ILE 646 CG1 574 ALA 558 CB 131 0.518E+00 -0.136E-01 -0.525E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6690 ILE 646 CG1 574 ILE 559 N 133 0.779E+00 -0.114E-01 -0.531E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6691 ILE 646 CG1 574 ILE 559 CA 134 0.880E+00 -0.210E-02 -0.236E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6692 ILE 646 CG1 574 ILE 559 C 135 0.968E+00 0.101E-01 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6693 ILE 646 CG1 574 ILE 559 O 136 0.102E+01 -0.102E-01 -0.916E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6694 ILE 646 CG1 574 ILE 559 CB 137 0.984E+00 0.107E-02 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6695 ILE 646 CG1 574 ILE 559 CG1 138 0.934E+00 0.413E-03 -0.165E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6696 ILE 646 CG1 574 ILE 559 CD1 140 0.105E+01 -0.160E-02 -0.841E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6697 ILE 646 CG1 574 GLU 560 N 142 0.101E+01 -0.702E-02 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6698 ILE 646 CG1 574 ALA 561 N 152 0.955E+00 -0.734E-02 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6699 ILE 646 CG1 574 ALA 561 CA 153 0.926E+00 -0.532E-03 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6700 ILE 646 CG1 574 ALA 561 C 154 0.922E+00 0.109E-01 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6701 ILE 646 CG1 574 ALA 561 O 155 0.100E+01 -0.935E-02 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6702 ILE 646 CG1 574 ALA 561 CB 156 0.809E+00 -0.547E-02 -0.390E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6703 ILE 646 CG1 574 GLN 562 N 158 0.865E+00 -0.820E-02 -0.284E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6704 ILE 646 CG1 574 GLN 562 CA 159 0.890E+00 0.749E-03 -0.220E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6705 ILE 646 CG1 574 GLN 562 C 160 0.104E+01 0.671E-02 -0.776E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6706 ILE 646 CG1 574 GLN 562 CB 162 0.828E+00 -0.731E-03 -0.339E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6707 ILE 646 CG1 574 GLN 562 CG 163 0.682E+00 -0.653E-03 -0.107E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6708 ILE 646 CG1 574 GLN 562 CD 164 0.647E+00 0.243E-01 -0.130E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6709 ILE 646 CG1 574 GLN 562 OE1 165 0.706E+00 -0.191E-01 -0.812E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6710 ILE 646 CG1 574 GLN 562 NE2 166 0.578E+00 -0.406E-01 -0.308E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6711 ILE 646 CG1 574 LEU 565 CG 200 0.103E+01 0.312E-02 -0.931E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6712 ILE 646 CG1 574 LEU 565 CD1 201 0.965E+00 -0.219E-02 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6713 ILE 646 CG2 575 GLN 551 CD 52 0.962E+00 -0.707E-01 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6714 ILE 646 CG2 575 GLN 551 OE1 53 0.911E+00 0.724E-01 -0.178E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6715 ILE 646 CG2 575 GLN 551 NE2 54 0.913E+00 0.101E+00 -0.206E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6716 ILE 646 CG2 575 ASN 554 CA 82 0.997E+00 -0.451E-02 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6717 ILE 646 CG2 575 ASN 554 C 83 0.921E+00 -0.699E-01 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6718 ILE 646 CG2 575 ASN 554 O 84 0.864E+00 0.658E-01 -0.244E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6719 ILE 646 CG2 575 ASN 554 CB 85 0.938E+00 0.103E-01 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6720 ILE 646 CG2 575 ASN 554 CG 86 0.104E+01 -0.555E-01 -0.790E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6721 ILE 646 CG2 575 LEU 555 N 92 0.953E+00 0.381E-01 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6722 ILE 646 CG2 575 LEU 555 CA 93 0.922E+00 0.114E-01 -0.178E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6723 ILE 646 CG2 575 LEU 555 C 94 0.100E+01 -0.572E-01 -0.965E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6724 ILE 646 CG2 575 LEU 555 O 95 0.959E+00 0.594E-01 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6725 ILE 646 CG2 575 LEU 555 CB 96 0.986E+00 0.147E-01 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6726 ILE 646 CG2 575 LEU 555 CG 97 0.947E+00 -0.208E-01 -0.151E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6727 ILE 646 CG2 575 LEU 555 CD1 98 0.105E+01 0.115E-01 -0.821E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6728 ILE 646 CG2 575 LEU 555 CD2 99 0.802E+00 0.176E-01 -0.411E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6729 ILE 646 CG2 575 ARG 557 C 112 0.104E+01 -0.691E-01 -0.778E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6730 ILE 646 CG2 575 ALA 558 N 127 0.925E+00 0.456E-01 -0.191E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6731 ILE 646 CG2 575 ALA 558 CA 128 0.826E+00 0.379E-02 -0.344E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6732 ILE 646 CG2 575 ALA 558 C 129 0.898E+00 -0.673E-01 -0.185E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6733 ILE 646 CG2 575 ALA 558 O 130 0.906E+00 0.646E-01 -0.184E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6734 ILE 646 CG2 575 ALA 558 CB 131 0.707E+00 0.413E-01 -0.866E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6735 ILE 646 CG2 575 ILE 559 N 133 0.983E+00 0.462E-01 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6736 ILE 646 CG2 575 ALA 561 CB 156 0.105E+01 0.215E-01 -0.825E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6737 ILE 646 CG2 575 GLN 562 CB 162 0.105E+01 0.299E-02 -0.827E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6738 ILE 646 CG2 575 GLN 562 CG 163 0.902E+00 0.234E-02 -0.203E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6739 ILE 646 CG2 575 GLN 562 CD 164 0.845E+00 -0.870E-01 -0.265E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6740 ILE 646 CG2 575 GLN 562 OE1 165 0.894E+00 0.746E-01 -0.199E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6741 ILE 646 CG2 575 GLN 562 NE2 166 0.763E+00 0.138E+00 -0.605E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6742 ILE 646 CD1 576 ASN 554 C 83 0.953E+00 -0.515E-01 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6743 ILE 646 CD1 576 ASN 554 O 84 0.866E+00 0.509E-01 -0.240E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6744 ILE 646 CD1 576 ASN 554 CB 85 0.103E+01 0.695E-02 -0.893E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6745 ILE 646 CD1 576 LEU 555 N 92 0.993E+00 0.279E-01 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6746 ILE 646 CD1 576 LEU 555 CA 93 0.939E+00 0.863E-02 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6747 ILE 646 CD1 576 LEU 555 C 94 0.974E+00 -0.463E-01 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6748 ILE 646 CD1 576 LEU 555 O 95 0.899E+00 0.511E-01 -0.193E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6749 ILE 646 CD1 576 LEU 555 CB 96 0.102E+01 0.109E-01 -0.969E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6750 ILE 646 CD1 576 LEU 555 CG 97 0.103E+01 -0.144E-01 -0.943E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6751 ILE 646 CD1 576 LEU 555 CD2 99 0.891E+00 0.114E-01 -0.219E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6752 ILE 646 CD1 576 ARG 557 C 112 0.921E+00 -0.642E-01 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6753 ILE 646 CD1 576 ARG 557 O 113 0.925E+00 0.505E-01 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6754 ILE 646 CD1 576 ALA 558 N 127 0.822E+00 0.430E-01 -0.385E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6755 ILE 646 CD1 576 ALA 558 CA 128 0.695E+00 0.404E-02 -0.957E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6756 ILE 646 CD1 576 ALA 558 C 129 0.733E+00 -0.743E-01 -0.619E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6757 ILE 646 CD1 576 ALA 558 O 130 0.705E+00 0.779E-01 -0.821E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6758 ILE 646 CD1 576 ALA 558 CB 131 0.611E+00 0.431E-01 -0.204E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6759 ILE 646 CD1 576 ILE 559 N 133 0.835E+00 0.466E-01 -0.352E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6760 ILE 646 CD1 576 ILE 559 CA 134 0.917E+00 0.904E-02 -0.184E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6761 ILE 646 CD1 576 ILE 559 C 135 0.998E+00 -0.443E-01 -0.984E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6762 ILE 646 CD1 576 ILE 559 O 136 0.103E+01 0.462E-01 -0.855E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6763 ILE 646 CD1 576 ILE 559 CB 137 0.103E+01 -0.461E-02 -0.919E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6764 ILE 646 CD1 576 ILE 559 CG1 138 0.984E+00 -0.175E-02 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6765 ILE 646 CD1 576 ALA 561 N 152 0.981E+00 0.323E-01 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6766 ILE 646 CD1 576 ALA 561 CA 153 0.938E+00 0.239E-02 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6767 ILE 646 CD1 576 ALA 561 C 154 0.911E+00 -0.510E-01 -0.170E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6768 ILE 646 CD1 576 ALA 561 O 155 0.977E+00 0.446E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6769 ILE 646 CD1 576 ALA 561 CB 156 0.829E+00 0.241E-01 -0.336E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6770 ILE 646 CD1 576 GLN 562 N 158 0.852E+00 0.386E-01 -0.311E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6771 ILE 646 CD1 576 GLN 562 CA 159 0.855E+00 -0.367E-02 -0.280E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6772 ILE 646 CD1 576 GLN 562 C 160 0.999E+00 -0.326E-01 -0.974E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6773 ILE 646 CD1 576 GLN 562 O 161 0.105E+01 0.411E-01 -0.774E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6774 ILE 646 CD1 576 GLN 562 CB 162 0.791E+00 0.363E-02 -0.444E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6775 ILE 646 CD1 576 GLN 562 CG 163 0.642E+00 0.339E-02 -0.154E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6776 ILE 646 CD1 576 GLN 562 CD 164 0.604E+00 -0.128E+00 -0.194E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6777 ILE 646 CD1 576 GLN 562 OE1 165 0.680E+00 0.947E-01 -0.102E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6778 ILE 646 CD1 576 GLN 562 NE2 166 0.512E+00 0.245E+00 -0.614E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6779 ILE 646 CD1 576 LEU 565 CB 199 0.102E+01 0.108E-01 -0.946E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6780 ILE 646 CD1 576 LEU 565 CG 200 0.944E+00 -0.163E-01 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6781 ILE 646 CD1 576 LEU 565 CD1 201 0.864E+00 0.120E-01 -0.263E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6782 ILE 646 CD1 576 LEU 565 CD2 202 0.105E+01 0.891E-02 -0.823E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6783 GLU 647 N 578 GLN 551 O 49 0.103E+01 0.175E+00 -0.896E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6784 GLU 647 N 578 GLN 551 CD 52 0.923E+00 -0.245E+00 -0.171E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6785 GLU 647 N 578 GLN 551 OE1 53 0.840E+00 0.269E+00 -0.313E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6786 GLU 647 N 578 GLN 551 NE2 54 0.900E+00 0.338E+00 -0.245E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6787 GLU 647 N 578 ASN 554 N 81 0.103E+01 0.134E+00 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6788 GLU 647 N 578 ASN 554 CA 82 0.890E+00 -0.175E-01 -0.240E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6789 GLU 647 N 578 ASN 554 C 83 0.870E+00 -0.249E+00 -0.244E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6790 GLU 647 N 578 ASN 554 O 84 0.824E+00 0.232E+00 -0.350E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6791 GLU 647 N 578 ASN 554 CB 85 0.804E+00 0.434E-01 -0.441E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6792 GLU 647 N 578 ASN 554 CG 86 0.852E+00 -0.244E+00 -0.276E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6793 GLU 647 N 578 ASN 554 OD1 87 0.877E+00 0.210E+00 -0.241E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6794 GLU 647 N 578 ASN 554 ND2 88 0.907E+00 0.296E+00 -0.234E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6795 GLU 647 N 578 LEU 555 N 92 0.942E+00 0.126E+00 -0.186E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6796 GLU 647 N 578 LEU 555 CA 93 0.967E+00 0.345E-01 -0.146E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6797 GLU 647 N 578 LEU 555 O 95 0.104E+01 0.172E+00 -0.878E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6798 GLU 647 N 578 LEU 555 CG 97 0.102E+01 -0.610E-01 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6799 GLU 647 N 578 LEU 555 CD2 99 0.895E+00 0.475E-01 -0.232E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6800 GLU 647 N 578 ARG 557 C 112 0.104E+01 -0.225E+00 -0.853E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6801 GLU 647 N 578 ARG 557 CZ 118 0.104E+01 -0.173E+00 -0.818E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6802 GLU 647 N 578 ARG 557 NH1 119 0.103E+01 0.214E+00 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6803 GLU 647 N 578 ARG 557 NH2 120 0.102E+01 0.216E+00 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6804 GLU 647 N 578 ALA 558 N 127 0.946E+00 0.143E+00 -0.182E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6805 GLU 647 N 578 ALA 558 CA 128 0.889E+00 0.109E-01 -0.242E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6806 GLU 647 N 578 ALA 558 C 129 0.101E+01 -0.184E+00 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6807 GLU 647 N 578 ALA 558 O 130 0.103E+01 0.173E+00 -0.924E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6808 GLU 647 N 578 ALA 558 CB 131 0.795E+00 0.108E+00 -0.472E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6809 GLU 647 N 578 GLN 562 NE2 166 0.103E+01 0.273E+00 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6810 GLU 647 CA 579 GLN 551 CD 52 0.946E+00 0.179E-01 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6811 GLU 647 CA 579 GLN 551 OE1 53 0.865E+00 -0.194E-01 -0.242E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6812 GLU 647 CA 579 GLN 551 NE2 54 0.916E+00 -0.248E-01 -0.202E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6813 GLU 647 CA 579 ASN 554 CA 82 0.964E+00 0.117E-02 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6814 GLU 647 CA 579 ASN 554 C 83 0.961E+00 0.161E-01 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6815 GLU 647 CA 579 ASN 554 O 84 0.928E+00 -0.144E-01 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6816 GLU 647 CA 579 ASN 554 CB 85 0.861E+00 -0.292E-02 -0.268E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6817 GLU 647 CA 579 ASN 554 CG 86 0.890E+00 0.172E-01 -0.195E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6818 GLU 647 CA 579 ASN 554 OD1 87 0.915E+00 -0.149E-01 -0.174E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6819 GLU 647 CA 579 ASN 554 ND2 88 0.927E+00 -0.216E-01 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6820 GLU 647 CA 579 LEU 555 N 92 0.103E+01 -0.834E-02 -0.987E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6821 GLU 647 CA 579 LEU 555 CD2 99 0.981E+00 -0.311E-02 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6822 GLU 647 CA 579 ALA 558 CA 128 0.102E+01 -0.665E-03 -0.950E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6823 GLU 647 CA 579 ALA 558 CB 131 0.930E+00 -0.632E-02 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6824 GLU 647 C 580 GLN 550 NE2 42 0.101E+01 -0.314E+00 -0.997E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6825 GLU 647 C 580 GLN 551 CA 47 0.101E+01 0.132E-01 -0.909E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6826 GLU 647 C 580 GLN 551 O 49 0.101E+01 -0.202E+00 -0.871E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6827 GLU 647 C 580 GLN 551 CB 50 0.104E+01 -0.110E-01 -0.776E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6828 GLU 647 C 580 GLN 551 CG 51 0.995E+00 -0.728E-02 -0.999E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6829 GLU 647 C 580 GLN 551 CD 52 0.851E+00 0.311E+00 -0.226E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6830 GLU 647 C 580 GLN 551 OE1 53 0.766E+00 -0.352E+00 -0.445E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6831 GLU 647 C 580 GLN 551 NE2 54 0.831E+00 -0.428E+00 -0.321E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6832 GLU 647 C 580 ASN 554 N 81 0.101E+01 -0.153E+00 -0.999E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6833 GLU 647 C 580 ASN 554 CA 82 0.885E+00 0.196E-01 -0.201E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6834 GLU 647 C 580 ASN 554 C 83 0.903E+00 0.261E+00 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6835 GLU 647 C 580 ASN 554 O 84 0.887E+00 -0.228E+00 -0.185E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6836 GLU 647 C 580 ASN 554 CB 85 0.769E+00 -0.522E-01 -0.466E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6837 GLU 647 C 580 ASN 554 CG 86 0.780E+00 0.316E+00 -0.381E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6838 GLU 647 C 580 ASN 554 OD1 87 0.807E+00 -0.269E+00 -0.326E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6839 GLU 647 C 580 ASN 554 ND2 88 0.804E+00 -0.401E+00 -0.390E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6840 GLU 647 C 580 LEU 555 N 92 0.975E+00 -0.133E+00 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6841 GLU 647 C 580 LEU 555 CA 93 0.103E+01 -0.350E-01 -0.816E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6842 GLU 647 C 580 LEU 555 CG 97 0.105E+01 0.649E-01 -0.735E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6843 GLU 647 C 580 LEU 555 CD2 99 0.944E+00 -0.485E-01 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6844 GLU 647 C 580 ARG 557 CZ 118 0.103E+01 0.197E+00 -0.738E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6845 GLU 647 C 580 ARG 557 NH1 119 0.102E+01 -0.241E+00 -0.941E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6846 GLU 647 C 580 ARG 557 NH2 120 0.973E+00 -0.258E+00 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6847 GLU 647 C 580 ALA 558 CA 128 0.104E+01 -0.956E-02 -0.769E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6848 GLU 647 C 580 ALA 558 CB 131 0.945E+00 -0.905E-01 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6849 GLU 647 O 581 GLN 550 NE2 42 0.100E+01 0.401E+00 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6850 GLU 647 O 581 GLN 551 CA 47 0.997E+00 -0.170E-01 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6851 GLU 647 O 581 GLN 551 O 49 0.102E+01 0.251E+00 -0.830E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6852 GLU 647 O 581 GLN 551 CB 50 0.101E+01 0.144E-01 -0.966E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6853 GLU 647 O 581 GLN 551 CG 51 0.964E+00 0.963E-02 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6854 GLU 647 O 581 GLN 551 CD 52 0.820E+00 -0.418E+00 -0.295E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6855 GLU 647 O 581 GLN 551 OE1 53 0.745E+00 0.467E+00 -0.535E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6856 GLU 647 O 581 GLN 551 NE2 54 0.790E+00 0.590E+00 -0.450E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6857 GLU 647 O 581 ASN 554 N 81 0.105E+01 0.183E+00 -0.835E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6858 GLU 647 O 581 ASN 554 CA 82 0.932E+00 -0.228E-01 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6859 GLU 647 O 581 ASN 554 C 83 0.956E+00 -0.301E+00 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6860 GLU 647 O 581 ASN 554 O 84 0.954E+00 0.257E+00 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6861 GLU 647 O 581 ASN 554 CB 85 0.803E+00 0.610E-01 -0.378E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6862 GLU 647 O 581 ASN 554 CG 86 0.806E+00 -0.377E+00 -0.329E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6863 GLU 647 O 581 ASN 554 OD1 87 0.843E+00 0.315E+00 -0.256E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6864 GLU 647 O 581 ASN 554 ND2 88 0.810E+00 0.500E+00 -0.388E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6865 GLU 647 O 581 LEU 555 N 92 0.102E+01 0.158E+00 -0.985E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6866 GLU 647 O 581 LEU 555 CD2 99 0.966E+00 0.591E-01 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6867 GLU 647 O 581 ARG 557 NH2 120 0.103E+01 0.300E+00 -0.924E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6868 GLU 647 O 581 ALA 558 CB 131 0.103E+01 0.100E+00 -0.850E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6869 GLU 647 CB 582 GLN 551 OE1 53 0.999E+00 -0.362E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6870 GLU 647 CB 582 ASN 554 O 84 0.102E+01 -0.294E-01 -0.906E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6871 GLU 647 CB 582 ASN 554 CB 85 0.961E+00 -0.576E-02 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6872 GLU 647 CB 582 ASN 554 CG 86 0.977E+00 0.348E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6873 GLU 647 CB 582 ASN 554 OD1 87 0.986E+00 -0.310E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6874 GLU 647 CB 582 ASN 554 ND2 88 0.102E+01 -0.438E-01 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6875 GLU 647 CB 582 ALA 558 CB 131 0.101E+01 -0.130E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6876 GLU 648 N 588 GLN 550 C 36 0.103E+01 -0.130E+00 -0.866E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6877 GLU 648 N 588 GLN 550 O 37 0.978E+00 0.190E+00 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6878 GLU 648 N 588 GLN 550 CD 40 0.103E+01 -0.207E+00 -0.866E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6879 GLU 648 N 588 GLN 550 NE2 42 0.908E+00 0.333E+00 -0.231E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6880 GLU 648 N 588 GLN 551 N 46 0.102E+01 0.122E+00 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6881 GLU 648 N 588 GLN 551 CA 47 0.945E+00 -0.131E-01 -0.167E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6882 GLU 648 N 588 GLN 551 C 48 0.999E+00 -0.137E+00 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6883 GLU 648 N 588 GLN 551 O 49 0.935E+00 0.203E+00 -0.164E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6884 GLU 648 N 588 GLN 551 CB 50 0.991E+00 0.106E-01 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6885 GLU 648 N 588 GLN 551 CG 51 0.963E+00 0.688E-02 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6886 GLU 648 N 588 GLN 551 CD 52 0.826E+00 -0.294E+00 -0.332E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6887 GLU 648 N 588 GLN 551 OE1 53 0.728E+00 0.348E+00 -0.736E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6888 GLU 648 N 588 GLN 551 NE2 54 0.827E+00 0.389E+00 -0.405E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6889 GLU 648 N 588 ASN 553 C 72 0.102E+01 -0.195E+00 -0.948E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6890 GLU 648 N 588 ASN 553 O 73 0.104E+01 0.162E+00 -0.890E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6891 GLU 648 N 588 ASN 554 N 81 0.909E+00 0.162E+00 -0.230E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6892 GLU 648 N 588 ASN 554 CA 82 0.784E+00 -0.217E-01 -0.513E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6893 GLU 648 N 588 ASN 554 C 83 0.814E+00 -0.279E+00 -0.364E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6894 GLU 648 N 588 ASN 554 O 84 0.797E+00 0.246E+00 -0.427E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6895 GLU 648 N 588 ASN 554 CB 85 0.672E+00 0.607E-01 -0.128E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6896 GLU 648 N 588 ASN 554 CG 86 0.674E+00 -0.376E+00 -0.112E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6897 GLU 648 N 588 ASN 554 OD1 87 0.689E+00 0.324E+00 -0.102E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6898 GLU 648 N 588 ASN 554 ND2 88 0.708E+00 0.456E+00 -0.102E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6899 GLU 648 N 588 LEU 555 N 92 0.898E+00 0.136E+00 -0.248E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6900 GLU 648 N 588 LEU 555 CA 93 0.963E+00 0.347E-01 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6901 GLU 648 N 588 LEU 555 CG 97 0.100E+01 -0.621E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6902 GLU 648 N 588 LEU 555 CD2 99 0.913E+00 0.460E-01 -0.206E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6903 GLU 648 N 588 ARG 557 CB 114 0.102E+01 0.117E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6904 GLU 648 N 588 ARG 557 NE 117 0.981E+00 -0.156E+00 -0.146E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6905 GLU 648 N 588 ARG 557 CZ 118 0.895E+00 -0.218E+00 -0.206E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6906 GLU 648 N 588 ARG 557 NH1 119 0.888E+00 0.268E+00 -0.265E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6907 GLU 648 N 588 ARG 557 NH2 120 0.843E+00 0.292E+00 -0.362E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6908 GLU 648 N 588 ARG 557 HE 122 0.100E+01 -0.390E-01 -0.340E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6909 GLU 648 N 588 ALA 558 N 127 0.985E+00 0.135E+00 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6910 GLU 648 N 588 ALA 558 CA 128 0.969E+00 0.954E-02 -0.144E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6911 GLU 648 N 588 ALA 558 CB 131 0.886E+00 0.901E-01 -0.246E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6912 GLU 648 CA 589 GLY 547 O 15 0.103E+01 -0.120E-01 -0.849E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6913 GLU 648 CA 589 GLN 550 CA 35 0.102E+01 0.880E-03 -0.951E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6914 GLU 648 CA 589 GLN 550 C 36 0.920E+00 0.117E-01 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6915 GLU 648 CA 589 GLN 550 O 37 0.870E+00 -0.173E-01 -0.234E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6916 GLU 648 CA 589 GLN 550 CB 38 0.987E+00 -0.803E-03 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6917 GLU 648 CA 589 GLN 550 CG 39 0.983E+00 -0.505E-03 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6918 GLU 648 CA 589 GLN 550 CD 40 0.900E+00 0.193E-01 -0.183E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6919 GLU 648 CA 589 GLN 550 OE1 41 0.966E+00 -0.163E-01 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6920 GLU 648 CA 589 GLN 550 NE2 42 0.772E+00 -0.332E-01 -0.562E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6921 GLU 648 CA 589 GLN 551 N 46 0.913E+00 -0.109E-01 -0.206E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6922 GLU 648 CA 589 GLN 551 CA 47 0.850E+00 0.118E-02 -0.290E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6923 GLU 648 CA 589 GLN 551 C 48 0.916E+00 0.118E-01 -0.164E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6924 GLU 648 CA 589 GLN 551 O 49 0.866E+00 -0.174E-01 -0.240E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6925 GLU 648 CA 589 GLN 551 CB 50 0.900E+00 -0.926E-03 -0.206E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6926 GLU 648 CA 589 GLN 551 CG 51 0.891E+00 -0.588E-03 -0.218E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6927 GLU 648 CA 589 GLN 551 CD 52 0.763E+00 0.256E-01 -0.489E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6928 GLU 648 CA 589 GLN 551 OE1 53 0.660E+00 -0.319E-01 -0.122E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6929 GLU 648 CA 589 GLN 551 NE2 54 0.779E+00 -0.327E-01 -0.534E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6930 GLU 648 CA 589 GLN 552 N 58 0.105E+01 -0.892E-02 -0.913E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6931 GLU 648 CA 589 ASN 553 C 72 0.950E+00 0.164E-01 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6932 GLU 648 CA 589 ASN 553 O 73 0.980E+00 -0.133E-01 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6933 GLU 648 CA 589 ASN 554 N 81 0.836E+00 -0.141E-01 -0.350E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6934 GLU 648 CA 589 ASN 554 CA 82 0.724E+00 0.190E-02 -0.753E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6935 GLU 648 CA 589 ASN 554 C 83 0.778E+00 0.229E-01 -0.435E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6936 GLU 648 CA 589 ASN 554 O 84 0.780E+00 -0.193E-01 -0.449E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6937 GLU 648 CA 589 ASN 554 CB 85 0.601E+00 -0.579E-02 -0.226E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6938 GLU 648 CA 589 ASN 554 CG 86 0.576E+00 0.394E-01 -0.254E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6939 GLU 648 CA 589 ASN 554 OD1 87 0.591E+00 -0.336E-01 -0.233E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6940 GLU 648 CA 589 ASN 554 ND2 88 0.595E+00 -0.491E-01 -0.260E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6941 GLU 648 CA 589 LEU 555 N 92 0.862E+00 -0.110E-01 -0.291E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6942 GLU 648 CA 589 LEU 555 CA 93 0.946E+00 -0.270E-02 -0.153E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6943 GLU 648 CA 589 LEU 555 C 94 0.105E+01 0.132E-01 -0.728E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6944 GLU 648 CA 589 LEU 555 CB 96 0.103E+01 -0.339E-02 -0.909E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6945 GLU 648 CA 589 LEU 555 CG 97 0.977E+00 0.489E-02 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6946 GLU 648 CA 589 LEU 555 CD2 99 0.904E+00 -0.353E-02 -0.201E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6947 GLU 648 CA 589 ARG 557 CB 114 0.997E+00 -0.914E-03 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6948 GLU 648 CA 589 ARG 557 CD 116 0.102E+01 0.299E-02 -0.947E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6949 GLU 648 CA 589 ARG 557 NE 117 0.921E+00 0.130E-01 -0.196E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6950 GLU 648 CA 589 ARG 557 CZ 118 0.830E+00 0.187E-01 -0.297E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6951 GLU 648 CA 589 ARG 557 NH1 119 0.834E+00 -0.225E-01 -0.353E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6952 GLU 648 CA 589 ARG 557 NH2 120 0.759E+00 -0.266E-01 -0.622E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6953 GLU 648 CA 589 ARG 557 HE 122 0.933E+00 0.328E-02 -0.509E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6954 GLU 648 CA 589 ALA 558 N 127 0.100E+01 -0.997E-02 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6955 GLU 648 CA 589 ALA 558 CA 128 0.100E+01 -0.684E-03 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6956 GLU 648 CA 589 ALA 558 CB 131 0.925E+00 -0.637E-02 -0.175E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6957 GLU 648 C 590 GLY 547 C 14 0.102E+01 0.204E+00 -0.762E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6958 GLU 648 C 590 GLY 547 O 15 0.910E+00 -0.212E+00 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6959 GLU 648 C 590 GLN 550 CA 35 0.939E+00 0.147E-01 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6960 GLU 648 C 590 GLN 550 C 36 0.827E+00 0.205E+00 -0.268E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6961 GLU 648 C 590 GLN 550 O 37 0.787E+00 -0.301E+00 -0.378E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6962 GLU 648 C 590 GLN 550 CB 38 0.903E+00 -0.135E-01 -0.179E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6963 GLU 648 C 590 GLN 550 CG 39 0.919E+00 -0.821E-02 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6964 GLU 648 C 590 GLN 550 CD 40 0.851E+00 0.311E+00 -0.226E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6965 GLU 648 C 590 GLN 550 OE1 41 0.926E+00 -0.255E+00 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6966 GLU 648 C 590 GLN 550 NE2 42 0.729E+00 -0.541E+00 -0.698E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6967 GLU 648 C 590 GLN 551 N 46 0.802E+00 -0.199E+00 -0.396E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6968 GLU 648 C 590 GLN 551 CA 47 0.729E+00 0.227E-01 -0.640E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6969 GLU 648 C 590 GLN 551 C 48 0.802E+00 0.216E+00 -0.322E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6970 GLU 648 C 590 GLN 551 O 49 0.757E+00 -0.323E+00 -0.476E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6971 GLU 648 C 590 GLN 551 CB 50 0.765E+00 -0.179E-01 -0.481E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6972 GLU 648 C 590 GLN 551 CG 51 0.748E+00 -0.117E-01 -0.550E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6973 GLU 648 C 590 GLN 551 CD 52 0.617E+00 0.571E+00 -0.152E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6974 GLU 648 C 590 GLN 551 OE1 53 0.519E+00 -0.788E+00 -0.438E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6975 GLU 648 C 590 GLN 551 NE2 54 0.629E+00 -0.724E+00 -0.167E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6976 GLU 648 C 590 GLN 552 N 58 0.933E+00 -0.155E+00 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6977 GLU 648 C 590 GLN 552 CA 59 0.103E+01 0.128E-01 -0.810E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6978 GLU 648 C 590 GLN 552 C 60 0.102E+01 0.147E+00 -0.755E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6979 GLU 648 C 590 ASN 553 N 70 0.994E+00 -0.157E+00 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6980 GLU 648 C 590 ASN 553 CA 71 0.100E+01 0.162E-01 -0.967E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6981 GLU 648 C 590 ASN 553 C 72 0.895E+00 0.265E+00 -0.168E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6982 GLU 648 C 590 ASN 553 O 73 0.938E+00 -0.209E+00 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6983 GLU 648 C 590 ASN 553 CB 74 0.101E+01 -0.334E-01 -0.908E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6984 GLU 648 C 590 ASN 554 N 81 0.772E+00 -0.238E+00 -0.500E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6985 GLU 648 C 590 ASN 554 CA 82 0.668E+00 0.327E-01 -0.107E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6986 GLU 648 C 590 ASN 554 C 83 0.718E+00 0.390E+00 -0.623E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6987 GLU 648 C 590 ASN 554 O 84 0.738E+00 -0.314E+00 -0.556E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6988 GLU 648 C 590 ASN 554 CB 85 0.530E+00 -0.112E+00 -0.407E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6989 GLU 648 C 590 ASN 554 CG 86 0.518E+00 0.736E+00 -0.411E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6990 GLU 648 C 590 ASN 554 OD1 87 0.563E+00 -0.550E+00 -0.275E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6991 GLU 648 C 590 ASN 554 ND2 88 0.518E+00 -0.986E+00 -0.512E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6992 GLU 648 C 590 LEU 555 N 92 0.783E+00 -0.191E+00 -0.458E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6993 GLU 648 C 590 LEU 555 CA 93 0.866E+00 -0.457E-01 -0.231E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6994 GLU 648 C 590 LEU 555 C 94 0.983E+00 0.212E+00 -0.953E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6995 GLU 648 C 590 LEU 555 O 95 0.102E+01 -0.195E+00 -0.790E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6996 GLU 648 C 590 LEU 555 CB 96 0.935E+00 -0.576E-01 -0.146E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6997 GLU 648 C 590 LEU 555 CG 97 0.864E+00 0.871E-01 -0.232E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6998 GLU 648 C 590 LEU 555 CD1 98 0.981E+00 -0.458E-01 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
6999 GLU 648 C 590 LEU 555 CD2 99 0.794E+00 -0.646E-01 -0.387E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7000 GLU 648 C 590 ARG 557 CB 114 0.999E+00 -0.134E-01 -0.976E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7001 GLU 648 C 590 ARG 557 CD 116 0.104E+01 0.429E-01 -0.756E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7002 GLU 648 C 590 ARG 557 NE 117 0.933E+00 0.187E+00 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7003 GLU 648 C 590 ARG 557 CZ 118 0.856E+00 0.261E+00 -0.218E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7004 GLU 648 C 590 ARG 557 NH1 119 0.883E+00 -0.301E+00 -0.223E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7005 GLU 648 C 590 ARG 557 NH2 120 0.777E+00 -0.374E+00 -0.478E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7006 GLU 648 C 590 ARG 557 HE 122 0.929E+00 0.485E-01 -0.462E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7007 GLU 648 C 590 ALA 558 N 127 0.984E+00 -0.150E+00 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7008 GLU 648 C 590 ALA 558 CA 128 0.992E+00 -0.102E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7009 GLU 648 C 590 ALA 558 CB 131 0.898E+00 -0.980E-01 -0.185E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7010 GLU 648 O 591 GLY 547 CA 13 0.969E+00 0.617E-01 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7011 GLU 648 O 591 GLY 547 C 14 0.938E+00 -0.292E+00 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7012 GLU 648 O 591 GLY 547 O 15 0.834E+00 0.310E+00 -0.273E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7013 GLU 648 O 591 ILE 548 N 17 0.105E+01 0.192E+00 -0.825E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7014 GLU 648 O 591 GLN 550 N 34 0.100E+01 0.175E+00 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7015 GLU 648 O 591 GLN 550 CA 35 0.892E+00 -0.201E-01 -0.201E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7016 GLU 648 O 591 GLN 550 C 36 0.790E+00 -0.280E+00 -0.368E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7017 GLU 648 O 591 GLN 550 O 37 0.768E+00 0.397E+00 -0.446E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7018 GLU 648 O 591 GLN 550 CB 38 0.841E+00 0.192E-01 -0.287E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7019 GLU 648 O 591 GLN 550 CG 39 0.857E+00 0.116E-01 -0.256E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7020 GLU 648 O 591 GLN 550 CD 40 0.804E+00 -0.432E+00 -0.332E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7021 GLU 648 O 591 GLN 550 OE1 41 0.892E+00 0.342E+00 -0.182E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7022 GLU 648 O 591 GLN 550 NE2 42 0.684E+00 0.772E+00 -0.106E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7023 GLU 648 O 591 GLN 551 N 46 0.758E+00 0.278E+00 -0.575E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7024 GLU 648 O 591 GLN 551 CA 47 0.696E+00 -0.312E-01 -0.885E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7025 GLU 648 O 591 GLN 551 C 48 0.789E+00 -0.280E+00 -0.371E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7026 GLU 648 O 591 GLN 551 O 49 0.763E+00 0.402E+00 -0.464E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7027 GLU 648 O 591 GLN 551 CB 50 0.719E+00 0.254E-01 -0.733E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7028 GLU 648 O 591 GLN 551 CG 51 0.711E+00 0.162E-01 -0.780E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7029 GLU 648 O 591 GLN 551 CD 52 0.587E+00 -0.801E+00 -0.215E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7030 GLU 648 O 591 GLN 551 OE1 53 0.499E+00 0.109E+01 -0.571E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7031 GLU 648 O 591 GLN 551 NE2 54 0.598E+00 0.102E+01 -0.235E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7032 GLU 648 O 591 GLN 552 N 58 0.918E+00 0.201E+00 -0.183E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7033 GLU 648 O 591 GLN 552 CA 59 0.103E+01 -0.162E-01 -0.859E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7034 GLU 648 O 591 GLN 552 C 60 0.103E+01 -0.182E+00 -0.740E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7035 GLU 648 O 591 ASN 553 N 70 0.100E+01 0.196E+00 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7036 GLU 648 O 591 ASN 553 CA 71 0.102E+01 -0.200E-01 -0.909E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7037 GLU 648 O 591 ASN 553 C 72 0.927E+00 -0.316E+00 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7038 GLU 648 O 591 ASN 553 O 73 0.984E+00 0.245E+00 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7039 GLU 648 O 591 ASN 553 CB 74 0.102E+01 0.416E-01 -0.899E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7040 GLU 648 O 591 ASN 554 N 81 0.800E+00 0.281E+00 -0.419E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7041 GLU 648 O 591 ASN 554 CA 82 0.714E+00 -0.362E-01 -0.761E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7042 GLU 648 O 591 ASN 554 C 83 0.776E+00 -0.425E+00 -0.410E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7043 GLU 648 O 591 ASN 554 O 84 0.813E+00 0.333E+00 -0.318E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7044 GLU 648 O 591 ASN 554 CB 85 0.567E+00 0.122E+00 -0.297E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7045 GLU 648 O 591 ASN 554 CG 86 0.535E+00 -0.860E+00 -0.366E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7046 GLU 648 O 591 ASN 554 OD1 87 0.588E+00 0.630E+00 -0.218E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7047 GLU 648 O 591 ASN 554 ND2 88 0.504E+00 0.133E+01 -0.634E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7048 GLU 648 O 591 LEU 555 N 92 0.831E+00 0.217E+00 -0.334E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7049 GLU 648 O 591 LEU 555 CA 93 0.920E+00 0.522E-01 -0.167E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7050 GLU 648 O 591 LEU 555 C 94 0.105E+01 -0.245E+00 -0.691E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7051 GLU 648 O 591 LEU 555 CB 96 0.976E+00 0.681E-01 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7052 GLU 648 O 591 LEU 555 CG 97 0.893E+00 -0.104E+00 -0.200E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7053 GLU 648 O 591 LEU 555 CD1 98 0.997E+00 0.563E-01 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7054 GLU 648 O 591 LEU 555 CD2 99 0.833E+00 0.749E-01 -0.303E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7055 GLU 648 O 591 ARG 557 NE 117 0.987E+00 -0.216E+00 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7056 GLU 648 O 591 ARG 557 CZ 118 0.909E+00 -0.299E+00 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7057 GLU 648 O 591 ARG 557 NH1 119 0.946E+00 0.340E+00 -0.154E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7058 GLU 648 O 591 ARG 557 NH2 120 0.816E+00 0.433E+00 -0.370E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7059 GLU 648 O 591 ARG 557 HE 122 0.975E+00 -0.568E-01 -0.290E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7060 GLU 648 O 591 ALA 558 CB 131 0.996E+00 0.105E+00 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7061 GLU 648 CB 592 GLY 547 O 15 0.102E+01 -0.285E-01 -0.905E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7062 GLU 648 CB 592 GLN 550 CA 35 0.961E+00 0.226E-02 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7063 GLU 648 CB 592 GLN 550 C 36 0.862E+00 0.305E-01 -0.237E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7064 GLU 648 CB 592 GLN 550 O 37 0.798E+00 -0.469E-01 -0.392E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7065 GLU 648 CB 592 GLN 550 CB 38 0.935E+00 -0.204E-02 -0.164E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7066 GLU 648 CB 592 GLN 550 CG 39 0.921E+00 -0.131E-02 -0.179E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7067 GLU 648 CB 592 GLN 550 CD 40 0.821E+00 0.528E-01 -0.316E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7068 GLU 648 CB 592 GLN 550 OE1 41 0.873E+00 -0.448E-01 -0.230E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7069 GLU 648 CB 592 GLN 550 NE2 42 0.695E+00 -0.947E-01 -0.105E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7070 GLU 648 CB 592 GLN 551 N 46 0.874E+00 -0.275E-01 -0.267E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7071 GLU 648 CB 592 GLN 551 CA 47 0.822E+00 0.291E-02 -0.353E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7072 GLU 648 CB 592 GLN 551 C 48 0.878E+00 0.296E-01 -0.212E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7073 GLU 648 CB 592 GLN 551 O 49 0.825E+00 -0.443E-01 -0.322E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7074 GLU 648 CB 592 GLN 551 CB 50 0.896E+00 -0.218E-02 -0.211E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7075 GLU 648 CB 592 GLN 551 CG 51 0.905E+00 -0.134E-02 -0.199E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7076 GLU 648 CB 592 GLN 551 CD 52 0.790E+00 0.565E-01 -0.398E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7077 GLU 648 CB 592 GLN 551 OE1 53 0.675E+00 -0.713E-01 -0.106E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7078 GLU 648 CB 592 GLN 551 NE2 54 0.828E+00 -0.688E-01 -0.371E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7079 GLU 648 CB 592 GLN 552 N 58 0.100E+01 -0.222E-01 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7080 GLU 648 CB 592 GLN 552 C 60 0.104E+01 0.227E-01 -0.749E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7081 GLU 648 CB 592 ASN 553 N 70 0.996E+00 -0.249E-01 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7082 GLU 648 CB 592 ASN 553 CA 71 0.969E+00 0.272E-02 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7083 GLU 648 CB 592 ASN 553 C 72 0.853E+00 0.457E-01 -0.252E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7084 GLU 648 CB 592 ASN 553 O 73 0.876E+00 -0.371E-01 -0.225E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7085 GLU 648 CB 592 ASN 553 CB 74 0.961E+00 -0.576E-02 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7086 GLU 648 CB 592 ASN 553 CG 75 0.998E+00 0.338E-01 -0.982E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7087 GLU 648 CB 592 ASN 553 OD1 76 0.102E+01 -0.296E-01 -0.909E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7088 GLU 648 CB 592 ASN 553 ND2 77 0.104E+01 -0.429E-01 -0.969E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7089 GLU 648 CB 592 ASN 554 N 81 0.747E+00 -0.402E-01 -0.683E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7090 GLU 648 CB 592 ASN 554 CA 82 0.636E+00 0.577E-02 -0.163E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7091 GLU 648 CB 592 ASN 554 C 83 0.704E+00 0.646E-01 -0.791E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7092 GLU 648 CB 592 ASN 554 O 84 0.702E+00 -0.551E-01 -0.843E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7093 GLU 648 CB 592 ASN 554 CB 85 0.527E+00 -0.181E-01 -0.474E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7094 GLU 648 CB 592 ASN 554 CG 86 0.489E+00 0.134E+00 -0.629E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7095 GLU 648 CB 592 ASN 554 OD1 87 0.480E+00 -0.127E+00 -0.764E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7096 GLU 648 CB 592 ASN 554 ND2 88 0.529E+00 -0.149E+00 -0.510E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7097 GLU 648 CB 592 LEU 555 N 92 0.802E+00 -0.292E-01 -0.447E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7098 GLU 648 CB 592 LEU 555 CA 93 0.897E+00 -0.689E-02 -0.210E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7099 GLU 648 CB 592 LEU 555 C 94 0.987E+00 0.337E-01 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7100 GLU 648 CB 592 LEU 555 O 95 0.102E+01 -0.314E-01 -0.918E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7101 GLU 648 CB 592 LEU 555 CB 96 0.996E+00 -0.835E-02 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7102 GLU 648 CB 592 LEU 555 CG 97 0.960E+00 0.118E-01 -0.140E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7103 GLU 648 CB 592 LEU 555 CD2 99 0.902E+00 -0.832E-02 -0.204E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7104 GLU 648 CB 592 LEU 556 N 101 0.105E+01 -0.191E-01 -0.901E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7105 GLU 648 CB 592 ARG 557 N 110 0.100E+01 -0.173E-01 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7106 GLU 648 CB 592 ARG 557 CA 111 0.986E+00 -0.771E-02 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7107 GLU 648 CB 592 ARG 557 C 112 0.976E+00 0.436E-01 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7108 GLU 648 CB 592 ARG 557 CB 114 0.879E+00 -0.261E-02 -0.238E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7109 GLU 648 CB 592 ARG 557 CG 115 0.951E+00 0.747E-03 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7110 GLU 648 CB 592 ARG 557 CD 116 0.888E+00 0.873E-02 -0.223E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7111 GLU 648 CB 592 ARG 557 NE 117 0.784E+00 0.398E-01 -0.513E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7112 GLU 648 CB 592 ARG 557 CZ 118 0.687E+00 0.620E-01 -0.911E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7113 GLU 648 CB 592 ARG 557 NH1 119 0.688E+00 -0.750E-01 -0.111E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7114 GLU 648 CB 592 ARG 557 NH2 120 0.619E+00 -0.928E-01 -0.207E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7115 GLU 648 CB 592 ARG 557 HE 122 0.801E+00 0.989E-02 -0.127E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7116 GLU 648 CB 592 ALA 558 N 127 0.917E+00 -0.267E-01 -0.201E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7117 GLU 648 CB 592 ALA 558 CA 128 0.936E+00 -0.178E-02 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7118 GLU 648 CB 592 ALA 558 CB 131 0.875E+00 -0.163E-01 -0.244E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7119 GLU 648 CG 593 GLY 547 C 14 0.104E+01 -0.144E-01 -0.779E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7120 GLU 648 CG 593 GLY 547 O 15 0.932E+00 0.148E-01 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7121 GLU 648 CG 593 VAL 549 O 29 0.105E+01 0.988E-02 -0.762E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7122 GLU 648 CG 593 GLN 550 N 34 0.989E+00 0.103E-01 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7123 GLU 648 CG 593 GLN 550 CA 35 0.853E+00 -0.124E-02 -0.284E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7124 GLU 648 CG 593 GLN 550 C 36 0.770E+00 -0.168E-01 -0.462E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7125 GLU 648 CG 593 GLN 550 O 37 0.713E+00 0.261E-01 -0.768E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7126 GLU 648 CG 593 GLN 550 CB 38 0.816E+00 0.116E-02 -0.370E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7127 GLU 648 CG 593 GLN 550 CG 39 0.787E+00 0.771E-03 -0.458E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7128 GLU 648 CG 593 GLN 550 CD 40 0.685E+00 -0.334E-01 -0.924E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7129 GLU 648 CG 593 GLN 550 OE1 41 0.740E+00 0.271E-01 -0.617E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7130 GLU 648 CG 593 GLN 550 NE2 42 0.557E+00 0.682E-01 -0.383E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7131 GLU 648 CG 593 GLN 551 N 46 0.796E+00 0.146E-01 -0.468E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7132 GLU 648 CG 593 GLN 551 CA 47 0.768E+00 -0.149E-02 -0.531E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7133 GLU 648 CG 593 GLN 551 C 48 0.837E+00 -0.145E-01 -0.282E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7134 GLU 648 CG 593 GLN 551 O 49 0.801E+00 0.211E-01 -0.383E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7135 GLU 648 CG 593 GLN 551 CB 50 0.851E+00 0.108E-02 -0.288E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7136 GLU 648 CG 593 GLN 551 CG 51 0.885E+00 0.632E-03 -0.228E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7137 GLU 648 CG 593 GLN 551 CD 52 0.787E+00 -0.258E-01 -0.407E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7138 GLU 648 CG 593 GLN 551 OE1 53 0.672E+00 0.326E-01 -0.110E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7139 GLU 648 CG 593 GLN 551 NE2 54 0.841E+00 0.303E-01 -0.336E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7140 GLU 648 CG 593 GLN 552 N 58 0.954E+00 0.109E-01 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7141 GLU 648 CG 593 GLN 552 CA 59 0.105E+01 -0.906E-03 -0.835E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7142 GLU 648 CG 593 GLN 552 C 60 0.101E+01 -0.109E-01 -0.939E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7143 GLU 648 CG 593 GLN 552 O 61 0.105E+01 0.138E-01 -0.770E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7144 GLU 648 CG 593 ASN 553 N 70 0.942E+00 0.123E-01 -0.171E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7145 GLU 648 CG 593 ASN 553 CA 71 0.914E+00 -0.135E-02 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7146 GLU 648 CG 593 ASN 553 C 72 0.813E+00 -0.225E-01 -0.335E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7147 GLU 648 CG 593 ASN 553 O 73 0.850E+00 0.177E-01 -0.269E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7148 GLU 648 CG 593 ASN 553 CB 74 0.885E+00 0.297E-02 -0.228E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7149 GLU 648 CG 593 ASN 553 CG 75 0.923E+00 -0.173E-01 -0.157E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7150 GLU 648 CG 593 ASN 553 OD1 76 0.958E+00 0.147E-01 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7151 GLU 648 CG 593 ASN 553 ND2 77 0.946E+00 0.222E-01 -0.167E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7152 GLU 648 CG 593 ASN 554 N 81 0.708E+00 0.201E-01 -0.938E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7153 GLU 648 CG 593 ASN 554 CA 82 0.620E+00 -0.276E-02 -0.188E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7154 GLU 648 CG 593 ASN 554 C 83 0.717E+00 -0.282E-01 -0.707E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7155 GLU 648 CG 593 ASN 554 O 84 0.735E+00 0.229E-01 -0.641E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7156 GLU 648 CG 593 ASN 554 CB 85 0.509E+00 0.894E-02 -0.577E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7157 GLU 648 CG 593 ASN 554 CG 86 0.429E+00 -0.842E-01 -0.117E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7158 GLU 648 CG 593 ASN 554 OD1 87 0.406E+00 0.878E-01 -0.176E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7159 GLU 648 CG 593 ASN 554 ND2 88 0.449E+00 0.101E+00 -0.122E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7160 GLU 648 CG 593 LEU 555 N 92 0.814E+00 0.129E-01 -0.409E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7161 GLU 648 CG 593 LEU 555 CA 93 0.926E+00 0.297E-02 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7162 GLU 648 CG 593 LEU 555 C 94 0.102E+01 -0.146E-01 -0.884E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7163 GLU 648 CG 593 LEU 555 CB 96 0.102E+01 0.366E-02 -0.972E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7164 GLU 648 CG 593 LEU 555 CG 97 0.983E+00 -0.515E-02 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7165 GLU 648 CG 593 LEU 555 CD2 99 0.947E+00 0.349E-02 -0.152E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7166 GLU 648 CG 593 ARG 557 N 110 0.102E+01 0.769E-02 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7167 GLU 648 CG 593 ARG 557 CA 111 0.101E+01 0.339E-02 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7168 GLU 648 CG 593 ARG 557 C 112 0.102E+01 -0.186E-01 -0.865E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7169 GLU 648 CG 593 ARG 557 CB 114 0.888E+00 0.116E-02 -0.224E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7170 GLU 648 CG 593 ARG 557 CG 115 0.937E+00 -0.346E-03 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7171 GLU 648 CG 593 ARG 557 CD 116 0.860E+00 -0.417E-02 -0.270E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7172 GLU 648 CG 593 ARG 557 NE 117 0.740E+00 -0.201E-01 -0.724E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7173 GLU 648 CG 593 ARG 557 CZ 118 0.635E+00 -0.330E-01 -0.145E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7174 GLU 648 CG 593 ARG 557 NH1 119 0.648E+00 0.383E-01 -0.158E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7175 GLU 648 CG 593 ARG 557 NH2 120 0.544E+00 0.559E-01 -0.438E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7176 GLU 648 CG 593 ARG 557 HE 122 0.750E+00 -0.505E-02 -0.188E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7177 GLU 648 CG 593 ALA 558 N 127 0.970E+00 0.111E-01 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7178 GLU 648 CG 593 ALA 558 CA 128 0.101E+01 0.721E-03 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7179 GLU 648 CG 593 ALA 558 CB 131 0.957E+00 0.642E-02 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7180 GLU 648 CD 594 GLY 547 O 15 0.957E+00 -0.320E+00 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7181 GLU 648 CD 594 VAL 549 C 28 0.103E+01 0.251E+00 -0.715E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7182 GLU 648 CD 594 VAL 549 O 29 0.999E+00 -0.238E+00 -0.906E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7183 GLU 648 CD 594 GLN 550 N 34 0.958E+00 -0.243E+00 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7184 GLU 648 CD 594 GLN 550 CA 35 0.817E+00 0.301E-01 -0.326E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7185 GLU 648 CD 594 GLN 550 C 36 0.744E+00 0.403E+00 -0.505E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7186 GLU 648 CD 594 GLN 550 O 37 0.671E+00 -0.662E+00 -0.975E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7187 GLU 648 CD 594 GLN 550 CB 38 0.795E+00 -0.273E-01 -0.382E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7188 GLU 648 CD 594 GLN 550 CG 39 0.754E+00 -0.188E-01 -0.525E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7189 GLU 648 CD 594 GLN 550 CD 40 0.632E+00 0.885E+00 -0.132E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7190 GLU 648 CD 594 GLN 550 OE1 41 0.663E+00 -0.754E+00 -0.105E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7191 GLU 648 CD 594 GLN 550 NE2 42 0.512E+00 -0.186E+01 -0.543E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7192 GLU 648 CD 594 GLN 551 N 46 0.794E+00 -0.331E+00 -0.422E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7193 GLU 648 CD 594 GLN 551 CA 47 0.780E+00 0.326E-01 -0.429E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7194 GLU 648 CD 594 GLN 551 C 48 0.833E+00 0.330E+00 -0.258E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7195 GLU 648 CD 594 GLN 551 O 49 0.795E+00 -0.481E+00 -0.355E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7196 GLU 648 CD 594 GLN 551 CB 50 0.886E+00 -0.227E-01 -0.201E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7197 GLU 648 CD 594 GLN 551 CG 51 0.936E+00 -0.130E-01 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7198 GLU 648 CD 594 GLN 551 CD 52 0.853E+00 0.504E+00 -0.223E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7199 GLU 648 CD 594 GLN 551 OE1 53 0.734E+00 -0.619E+00 -0.574E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7200 GLU 648 CD 594 GLN 551 NE2 54 0.925E+00 -0.585E+00 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7201 GLU 648 CD 594 GLN 552 N 58 0.939E+00 -0.250E+00 -0.154E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7202 GLU 648 CD 594 GLN 552 CA 59 0.102E+01 0.212E-01 -0.866E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7203 GLU 648 CD 594 GLN 552 C 60 0.959E+00 0.262E+00 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7204 GLU 648 CD 594 GLN 552 O 61 0.997E+00 -0.334E+00 -0.918E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7205 GLU 648 CD 594 ASN 553 N 70 0.884E+00 -0.306E+00 -0.222E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7206 GLU 648 CD 594 ASN 553 CA 71 0.835E+00 0.352E-01 -0.286E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7207 GLU 648 CD 594 ASN 553 C 72 0.735E+00 0.606E+00 -0.540E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7208 GLU 648 CD 594 ASN 553 O 73 0.764E+00 -0.480E+00 -0.453E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7209 GLU 648 CD 594 ASN 553 CB 74 0.793E+00 -0.805E-01 -0.389E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7210 GLU 648 CD 594 ASN 553 CG 75 0.811E+00 0.480E+00 -0.301E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7211 GLU 648 CD 594 ASN 553 OD1 76 0.842E+00 -0.406E+00 -0.252E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7212 GLU 648 CD 594 ASN 553 ND2 77 0.826E+00 -0.624E+00 -0.333E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7213 GLU 648 CD 594 ASN 554 N 81 0.647E+00 -0.542E+00 -0.141E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7214 GLU 648 CD 594 ASN 554 CA 82 0.567E+00 0.751E-01 -0.278E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7215 GLU 648 CD 594 ASN 554 C 83 0.679E+00 0.706E+00 -0.866E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7216 GLU 648 CD 594 ASN 554 O 84 0.693E+00 -0.577E+00 -0.808E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7217 GLU 648 CD 594 ASN 554 CB 85 0.486E+00 -0.224E+00 -0.649E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7218 GLU 648 CD 594 ASN 554 CG 86 0.391E+00 0.240E+01 -0.137E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7219 GLU 648 CD 594 ASN 554 OD1 87 0.326E+00 -0.356E+01 -0.105E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7220 GLU 648 CD 594 ASN 554 ND2 88 0.437E+00 -0.242E+01 -0.122E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7221 GLU 648 CD 594 LEU 555 N 92 0.788E+00 -0.307E+00 -0.440E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7222 GLU 648 CD 594 LEU 555 CA 93 0.908E+00 -0.689E-01 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7223 GLU 648 CD 594 LEU 555 C 94 0.979E+00 0.348E+00 -0.978E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7224 GLU 648 CD 594 LEU 555 O 95 0.103E+01 -0.317E+00 -0.777E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7225 GLU 648 CD 594 LEU 555 CB 96 0.101E+01 -0.831E-01 -0.899E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7226 GLU 648 CD 594 LEU 555 CG 97 0.997E+00 0.113E+00 -0.990E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7227 GLU 648 CD 594 LEU 555 CD2 99 0.976E+00 -0.750E-01 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7228 GLU 648 CD 594 LEU 556 N 101 0.101E+01 -0.206E+00 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7229 GLU 648 CD 594 ARG 557 N 110 0.934E+00 -0.196E+00 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7230 GLU 648 CD 594 ARG 557 CA 111 0.916E+00 -0.880E-01 -0.164E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7231 GLU 648 CD 594 ARG 557 C 112 0.944E+00 0.468E+00 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7232 GLU 648 CD 594 ARG 557 O 113 0.103E+01 -0.327E+00 -0.770E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7233 GLU 648 CD 594 ARG 557 CB 114 0.785E+00 -0.322E-01 -0.413E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7234 GLU 648 CD 594 ARG 557 CG 115 0.818E+00 0.973E-02 -0.323E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7235 GLU 648 CD 594 ARG 557 CD 116 0.727E+00 0.126E+00 -0.650E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7236 GLU 648 CD 594 ARG 557 NE 117 0.606E+00 0.673E+00 -0.209E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7237 GLU 648 CD 594 ARG 557 CZ 118 0.493E+00 0.131E+01 -0.539E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7238 GLU 648 CD 594 ARG 557 NH1 119 0.503E+00 -0.151E+01 -0.603E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7239 GLU 648 CD 594 ARG 557 NH2 120 0.401E+00 -0.264E+01 -0.172E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7240 GLU 648 CD 594 ARG 557 HE 122 0.623E+00 0.163E+00 -0.505E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7241 GLU 648 CD 594 ALA 558 N 127 0.913E+00 -0.274E+00 -0.183E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7242 GLU 648 CD 594 ALA 558 CA 128 0.970E+00 -0.172E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7243 GLU 648 CD 594 ALA 558 CB 131 0.938E+00 -0.149E+00 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7244 GLU 648 OE1 595 GLY 547 O 15 0.104E+01 0.304E+00 -0.723E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7245 GLU 648 OE1 595 VAL 549 O 29 0.104E+01 0.244E+00 -0.740E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7246 GLU 648 OE1 595 GLN 550 N 34 0.102E+01 0.238E+00 -0.977E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7247 GLU 648 OE1 595 GLN 550 CA 35 0.881E+00 -0.286E-01 -0.218E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7248 GLU 648 OE1 595 GLN 550 C 36 0.800E+00 -0.381E+00 -0.343E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7249 GLU 648 OE1 595 GLN 550 O 37 0.713E+00 0.633E+00 -0.694E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7250 GLU 648 OE1 595 GLN 550 CB 38 0.877E+00 0.249E-01 -0.224E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7251 GLU 648 OE1 595 GLN 550 CG 39 0.841E+00 0.167E-01 -0.287E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7252 GLU 648 OE1 595 GLN 550 CD 40 0.711E+00 -0.753E+00 -0.694E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7253 GLU 648 OE1 595 GLN 550 OE1 41 0.726E+00 0.680E+00 -0.623E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7254 GLU 648 OE1 595 GLN 550 NE2 42 0.600E+00 0.140E+01 -0.230E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7255 GLU 648 OE1 595 GLN 551 N 46 0.854E+00 0.314E+00 -0.283E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7256 GLU 648 OE1 595 GLN 551 CA 47 0.831E+00 -0.315E-01 -0.309E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7257 GLU 648 OE1 595 GLN 551 C 48 0.863E+00 -0.334E+00 -0.218E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7258 GLU 648 OE1 595 GLN 551 O 49 0.811E+00 0.501E+00 -0.322E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7259 GLU 648 OE1 595 GLN 551 CB 50 0.944E+00 0.221E-01 -0.144E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7260 GLU 648 OE1 595 GLN 551 CG 51 0.985E+00 0.130E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7261 GLU 648 OE1 595 GLN 551 CD 52 0.901E+00 -0.497E+00 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7262 GLU 648 OE1 595 GLN 551 OE1 53 0.779E+00 0.598E+00 -0.410E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7263 GLU 648 OE1 595 GLN 551 NE2 54 0.972E+00 0.583E+00 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7264 GLU 648 OE1 595 GLN 552 N 58 0.968E+00 0.258E+00 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7265 GLU 648 OE1 595 GLN 552 CA 59 0.103E+01 -0.224E-01 -0.840E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7266 GLU 648 OE1 595 GLN 552 C 60 0.958E+00 -0.283E+00 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7267 GLU 648 OE1 595 GLN 552 O 61 0.981E+00 0.368E+00 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7268 GLU 648 OE1 595 ASN 553 N 70 0.887E+00 0.328E+00 -0.225E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7269 GLU 648 OE1 595 ASN 553 CA 71 0.824E+00 -0.388E-01 -0.323E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7270 GLU 648 OE1 595 ASN 553 C 72 0.712E+00 -0.694E+00 -0.689E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7271 GLU 648 OE1 595 ASN 553 O 73 0.720E+00 0.576E+00 -0.654E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7272 GLU 648 OE1 595 ASN 553 CB 74 0.792E+00 0.869E-01 -0.411E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7273 GLU 648 OE1 595 ASN 553 CG 75 0.795E+00 -0.537E+00 -0.357E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7274 GLU 648 OE1 595 ASN 553 OD1 76 0.808E+00 0.470E+00 -0.329E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7275 GLU 648 OE1 595 ASN 553 ND2 77 0.815E+00 0.687E+00 -0.373E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7276 GLU 648 OE1 595 ASN 554 N 81 0.636E+00 0.605E+00 -0.164E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7277 GLU 648 OE1 595 ASN 554 CA 82 0.542E+00 -0.896E-01 -0.386E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7278 GLU 648 OE1 595 ASN 554 C 83 0.640E+00 -0.857E+00 -0.129E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7279 GLU 648 OE1 595 ASN 554 O 84 0.634E+00 0.742E+00 -0.140E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7280 GLU 648 OE1 595 ASN 554 CB 85 0.486E+00 0.241E+00 -0.708E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7281 GLU 648 OE1 595 ASN 554 CG 86 0.417E+00 -0.219E+01 -0.137E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7282 GLU 648 OE1 595 ASN 554 OD1 87 0.340E+00 0.342E+01 -0.336E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7283 GLU 648 OE1 595 ASN 554 ND2 88 0.495E+00 0.192E+01 -0.702E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7284 GLU 648 OE1 595 LEU 555 N 92 0.760E+00 0.353E+00 -0.566E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7285 GLU 648 OE1 595 LEU 555 CA 93 0.872E+00 0.792E-01 -0.231E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7286 GLU 648 OE1 595 LEU 555 C 94 0.929E+00 -0.406E+00 -0.140E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7287 GLU 648 OE1 595 LEU 555 O 95 0.964E+00 0.374E+00 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7288 GLU 648 OE1 595 LEU 555 CB 96 0.991E+00 0.925E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7289 GLU 648 OE1 595 LEU 555 CG 97 0.990E+00 -0.123E+00 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7290 GLU 648 OE1 595 LEU 555 CD2 99 0.965E+00 0.822E-01 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7291 GLU 648 OE1 595 LEU 556 N 101 0.961E+00 0.239E+00 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7292 GLU 648 OE1 595 LEU 556 CA 102 0.104E+01 0.604E-01 -0.803E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7293 GLU 648 OE1 595 LEU 556 C 103 0.984E+00 -0.372E+00 -0.990E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7294 GLU 648 OE1 595 ARG 557 N 110 0.860E+00 0.241E+00 -0.271E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7295 GLU 648 OE1 595 ARG 557 CA 111 0.828E+00 0.112E+00 -0.316E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7296 GLU 648 OE1 595 ARG 557 C 112 0.849E+00 -0.599E+00 -0.241E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7297 GLU 648 OE1 595 ARG 557 O 113 0.924E+00 0.413E+00 -0.147E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7298 GLU 648 OE1 595 ARG 557 CB 114 0.694E+00 0.437E-01 -0.900E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7299 GLU 648 OE1 595 ARG 557 CG 115 0.735E+00 -0.127E-01 -0.643E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7300 GLU 648 OE1 595 ARG 557 CD 116 0.645E+00 -0.172E+00 -0.140E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7301 GLU 648 OE1 595 ARG 557 NE 117 0.538E+00 -0.942E+00 -0.437E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7302 GLU 648 OE1 595 ARG 557 CZ 118 0.424E+00 -0.204E+01 -0.128E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7303 GLU 648 OE1 595 ARG 557 NH1 119 0.415E+00 0.261E+01 -0.177E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7304 GLU 648 OE1 595 ARG 557 NH2 120 0.362E+00 0.373E+01 -0.293E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7305 GLU 648 OE1 595 ARG 557 HE 122 0.570E+00 -0.213E+00 -0.723E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7306 GLU 648 OE1 595 ALA 558 N 127 0.824E+00 0.349E+00 -0.349E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7307 GLU 648 OE1 595 ALA 558 CA 128 0.879E+00 0.217E-01 -0.220E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7308 GLU 648 OE1 595 ALA 558 C 129 0.103E+01 -0.346E+00 -0.758E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7309 GLU 648 OE1 595 ALA 558 CB 131 0.859E+00 0.185E+00 -0.252E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7310 GLU 648 OE2 596 SER 546 O 7 0.104E+01 0.350E+00 -0.742E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7311 GLU 648 OE2 596 GLY 547 CA 13 0.102E+01 0.795E-01 -0.908E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7312 GLU 648 OE2 596 GLY 547 C 14 0.101E+01 -0.363E+00 -0.847E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7313 GLU 648 OE2 596 GLY 547 O 15 0.913E+00 0.370E+00 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7314 GLU 648 OE2 596 VAL 549 C 28 0.971E+00 -0.296E+00 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7315 GLU 648 OE2 596 VAL 549 O 29 0.943E+00 0.280E+00 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7316 GLU 648 OE2 596 GLN 550 N 34 0.891E+00 0.293E+00 -0.219E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7317 GLU 648 OE2 596 GLN 550 CA 35 0.748E+00 -0.380E-01 -0.580E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7318 GLU 648 OE2 596 GLN 550 C 36 0.695E+00 -0.494E+00 -0.795E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7319 GLU 648 OE2 596 GLN 550 O 37 0.629E+00 0.814E+00 -0.147E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7320 GLU 648 OE2 596 GLN 550 CB 38 0.719E+00 0.353E-01 -0.731E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7321 GLU 648 OE2 596 GLN 550 CG 39 0.661E+00 0.261E-01 -0.121E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7322 GLU 648 OE2 596 GLN 550 CD 40 0.534E+00 -0.138E+01 -0.372E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7323 GLU 648 OE2 596 GLN 550 OE1 41 0.561E+00 0.116E+01 -0.287E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7324 GLU 648 OE2 596 GLN 550 NE2 42 0.418E+00 0.331E+01 -0.172E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7325 GLU 648 OE2 596 GLN 551 N 46 0.759E+00 0.386E+00 -0.572E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7326 GLU 648 OE2 596 GLN 551 CA 47 0.768E+00 -0.361E-01 -0.492E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7327 GLU 648 OE2 596 GLN 551 C 48 0.828E+00 -0.358E+00 -0.279E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7328 GLU 648 OE2 596 GLN 551 O 49 0.806E+00 0.506E+00 -0.333E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7329 GLU 648 OE2 596 GLN 551 CB 50 0.880E+00 0.247E-01 -0.219E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7330 GLU 648 OE2 596 GLN 551 CG 51 0.949E+00 0.137E-01 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7331 GLU 648 OE2 596 GLN 551 CD 52 0.883E+00 -0.513E+00 -0.190E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7332 GLU 648 OE2 596 GLN 551 OE1 53 0.767E+00 0.614E+00 -0.448E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7333 GLU 648 OE2 596 GLN 551 NE2 54 0.965E+00 0.590E+00 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7334 GLU 648 OE2 596 GLN 552 N 58 0.924E+00 0.276E+00 -0.176E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7335 GLU 648 OE2 596 GLN 552 CA 59 0.101E+01 -0.231E-01 -0.964E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7336 GLU 648 OE2 596 GLN 552 C 60 0.949E+00 -0.287E+00 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7337 GLU 648 OE2 596 GLN 552 O 61 0.997E+00 0.360E+00 -0.934E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7338 GLU 648 OE2 596 ASN 553 N 70 0.860E+00 0.345E+00 -0.272E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7339 GLU 648 OE2 596 ASN 553 CA 71 0.809E+00 -0.400E-01 -0.361E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7340 GLU 648 OE2 596 ASN 553 C 72 0.728E+00 -0.666E+00 -0.603E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7341 GLU 648 OE2 596 ASN 553 O 73 0.766E+00 0.514E+00 -0.452E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7342 GLU 648 OE2 596 ASN 553 CB 74 0.747E+00 0.967E-01 -0.585E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7343 GLU 648 OE2 596 ASN 553 CG 75 0.762E+00 -0.578E+00 -0.458E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7344 GLU 648 OE2 596 ASN 553 OD1 76 0.807E+00 0.471E+00 -0.332E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7345 GLU 648 OE2 596 ASN 553 ND2 77 0.761E+00 0.777E+00 -0.565E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7346 GLU 648 OE2 596 ASN 554 N 81 0.647E+00 0.585E+00 -0.149E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7347 GLU 648 OE2 596 ASN 554 CA 82 0.592E+00 -0.736E-01 -0.230E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7348 GLU 648 OE2 596 ASN 554 C 83 0.722E+00 -0.676E+00 -0.635E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7349 GLU 648 OE2 596 ASN 554 O 84 0.749E+00 0.535E+00 -0.516E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7350 GLU 648 OE2 596 ASN 554 CB 85 0.518E+00 0.207E+00 -0.496E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7351 GLU 648 OE2 596 ASN 554 CG 86 0.396E+00 -0.251E+01 -0.171E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7352 GLU 648 OE2 596 ASN 554 OD1 87 0.317E+00 0.414E+01 -0.307E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7353 GLU 648 OE2 596 ASN 554 ND2 88 0.422E+00 0.284E+01 -0.163E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7354 GLU 648 OE2 596 LEU 555 N 92 0.825E+00 0.305E+00 -0.347E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7355 GLU 648 OE2 596 LEU 555 CA 93 0.955E+00 0.686E-01 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7356 GLU 648 OE2 596 LEU 555 C 94 0.102E+01 -0.351E+00 -0.787E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7357 GLU 648 OE2 596 LEU 555 CG 97 0.104E+01 -0.115E+00 -0.812E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7358 GLU 648 OE2 596 LEU 555 CD2 99 0.103E+01 0.743E-01 -0.834E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7359 GLU 648 OE2 596 LEU 556 N 101 0.104E+01 0.213E+00 -0.879E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7360 GLU 648 OE2 596 ARG 557 N 110 0.965E+00 0.201E+00 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7361 GLU 648 OE2 596 ARG 557 CA 111 0.953E+00 0.892E-01 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7362 GLU 648 OE2 596 ARG 557 C 112 0.999E+00 -0.463E+00 -0.908E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7363 GLU 648 OE2 596 ARG 557 CB 114 0.816E+00 0.325E-01 -0.343E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7364 GLU 648 OE2 596 ARG 557 CG 115 0.827E+00 -0.103E-01 -0.317E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7365 GLU 648 OE2 596 ARG 557 CD 116 0.725E+00 -0.137E+00 -0.693E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7366 GLU 648 OE2 596 ARG 557 NE 117 0.593E+00 -0.757E+00 -0.246E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7367 GLU 648 OE2 596 ARG 557 CZ 118 0.478E+00 -0.152E+01 -0.694E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7368 GLU 648 OE2 596 ARG 557 NH1 119 0.500E+00 0.164E+01 -0.661E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7369 GLU 648 OE2 596 ARG 557 NH2 120 0.365E+00 0.365E+01 -0.288E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7370 GLU 648 OE2 596 ARG 557 HE 122 0.604E+00 -0.188E+00 -0.514E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7371 GLU 648 OE2 596 ALA 558 N 127 0.977E+00 0.266E+00 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7372 GLU 648 OE2 596 ALA 558 CA 128 0.105E+01 0.166E-01 -0.773E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7373 GLU 648 OE2 596 ALA 558 CB 131 0.102E+01 0.141E+00 -0.898E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7374 SER 649 N 598 GLY 547 C 14 0.103E+01 -0.233E+00 -0.906E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7375 SER 649 N 598 GLY 547 O 15 0.911E+00 0.244E+00 -0.192E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7376 SER 649 N 598 GLN 550 N 34 0.105E+01 0.150E+00 -0.981E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7377 SER 649 N 598 GLN 550 CA 35 0.940E+00 -0.169E-01 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7378 SER 649 N 598 GLN 550 C 36 0.814E+00 -0.242E+00 -0.364E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7379 SER 649 N 598 GLN 550 O 37 0.767E+00 0.363E+00 -0.538E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7380 SER 649 N 598 GLN 550 CB 38 0.924E+00 0.150E-01 -0.192E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7381 SER 649 N 598 GLN 550 CG 39 0.957E+00 0.888E-02 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7382 SER 649 N 598 GLN 550 CD 40 0.888E+00 -0.334E+00 -0.215E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7383 SER 649 N 598 GLN 550 OE1 41 0.957E+00 0.279E+00 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7384 SER 649 N 598 GLN 550 NE2 42 0.775E+00 0.557E+00 -0.598E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7385 SER 649 N 598 GLN 551 N 46 0.781E+00 0.241E+00 -0.570E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7386 SER 649 N 598 GLN 551 CA 47 0.689E+00 -0.291E-01 -0.111E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7387 SER 649 N 598 GLN 551 C 48 0.742E+00 -0.286E+00 -0.632E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7388 SER 649 N 598 GLN 551 O 49 0.682E+00 0.453E+00 -0.108E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7389 SER 649 N 598 GLN 551 CB 50 0.723E+00 0.229E-01 -0.830E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7390 SER 649 N 598 GLN 551 CG 51 0.687E+00 0.158E-01 -0.112E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7391 SER 649 N 598 GLN 551 CD 52 0.550E+00 -0.844E+00 -0.364E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7392 SER 649 N 598 GLN 551 OE1 53 0.451E+00 0.127E+01 -0.117E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7393 SER 649 N 598 GLN 551 NE2 54 0.559E+00 0.108E+01 -0.410E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7394 SER 649 N 598 GLN 552 N 58 0.874E+00 0.198E+00 -0.290E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7395 SER 649 N 598 GLN 552 CA 59 0.961E+00 -0.163E-01 -0.152E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7396 SER 649 N 598 GLN 552 C 60 0.953E+00 -0.187E+00 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7397 SER 649 N 598 GLN 552 O 61 0.979E+00 0.242E+00 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7398 SER 649 N 598 ASN 553 N 70 0.938E+00 0.197E+00 -0.190E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7399 SER 649 N 598 ASN 553 CA 71 0.950E+00 -0.202E-01 -0.163E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7400 SER 649 N 598 ASN 553 C 72 0.837E+00 -0.340E+00 -0.307E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7401 SER 649 N 598 ASN 553 O 73 0.874E+00 0.269E+00 -0.246E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7402 SER 649 N 598 ASN 553 CB 74 0.980E+00 0.403E-01 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7403 SER 649 N 598 ASN 554 N 81 0.715E+00 0.315E+00 -0.966E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7404 SER 649 N 598 ASN 554 CA 82 0.603E+00 -0.465E-01 -0.242E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7405 SER 649 N 598 ASN 554 C 83 0.628E+00 -0.584E+00 -0.168E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7406 SER 649 N 598 ASN 554 O 84 0.644E+00 0.472E+00 -0.152E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7407 SER 649 N 598 ASN 554 CB 85 0.471E+00 0.171E+00 -0.956E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7408 SER 649 N 598 ASN 554 CG 86 0.497E+00 -0.935E+00 -0.643E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7409 SER 649 N 598 ASN 554 OD1 87 0.556E+00 0.649E+00 -0.359E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7410 SER 649 N 598 ASN 554 ND2 88 0.513E+00 0.116E+01 -0.669E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7411 SER 649 N 598 LEU 555 N 92 0.686E+00 0.282E+00 -0.124E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7412 SER 649 N 598 LEU 555 CA 93 0.755E+00 0.668E-01 -0.640E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7413 SER 649 N 598 LEU 555 C 94 0.875E+00 -0.293E+00 -0.235E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7414 SER 649 N 598 LEU 555 O 95 0.910E+00 0.268E+00 -0.194E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7415 SER 649 N 598 LEU 555 CB 96 0.823E+00 0.817E-01 -0.383E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7416 SER 649 N 598 LEU 555 CG 97 0.754E+00 -0.127E+00 -0.648E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7417 SER 649 N 598 LEU 555 CD1 98 0.873E+00 0.632E-01 -0.269E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7418 SER 649 N 598 LEU 555 CD2 99 0.673E+00 0.101E+00 -0.127E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7419 SER 649 N 598 LEU 556 N 101 0.958E+00 0.158E+00 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7420 SER 649 N 598 ARG 557 N 110 0.989E+00 0.127E+00 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7421 SER 649 N 598 ARG 557 CA 111 0.101E+01 0.540E-01 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7422 SER 649 N 598 ARG 557 C 112 0.980E+00 -0.313E+00 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7423 SER 649 N 598 ARG 557 CB 114 0.936E+00 0.170E-01 -0.178E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7424 SER 649 N 598 ARG 557 CG 115 0.103E+01 -0.477E-02 -0.994E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7425 SER 649 N 598 ARG 557 CD 116 0.101E+01 -0.517E-01 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7426 SER 649 N 598 ARG 557 NE 117 0.909E+00 -0.224E+00 -0.231E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7427 SER 649 N 598 ARG 557 CZ 118 0.848E+00 -0.305E+00 -0.284E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7428 SER 649 N 598 ARG 557 NH1 119 0.882E+00 0.346E+00 -0.275E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7429 SER 649 N 598 ARG 557 NH2 120 0.782E+00 0.425E+00 -0.564E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7430 SER 649 N 598 ARG 557 HE 122 0.901E+00 -0.586E-01 -0.636E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7431 SER 649 N 598 ALA 558 N 127 0.887E+00 0.203E+00 -0.267E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7432 SER 649 N 598 ALA 558 CA 128 0.887E+00 0.140E-01 -0.244E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7433 SER 649 N 598 ALA 558 C 129 0.102E+01 -0.229E+00 -0.926E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7434 SER 649 N 598 ALA 558 CB 131 0.784E+00 0.142E+00 -0.513E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7435 SER 649 CA 599 GLY 547 CA 13 0.102E+01 -0.114E-01 -0.999E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7436 SER 649 CA 599 GLY 547 C 14 0.944E+00 0.575E-01 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7437 SER 649 CA 599 GLY 547 O 15 0.829E+00 -0.622E-01 -0.312E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7438 SER 649 CA 599 ILE 548 N 17 0.103E+01 -0.391E-01 -0.992E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7439 SER 649 CA 599 ILE 548 CA 18 0.102E+01 -0.894E-02 -0.951E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7440 SER 649 CA 599 ILE 548 C 19 0.103E+01 0.498E-01 -0.836E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7441 SER 649 CA 599 ILE 548 O 20 0.961E+00 -0.597E-01 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7442 SER 649 CA 599 VAL 549 C 28 0.104E+01 0.381E-01 -0.749E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7443 SER 649 CA 599 VAL 549 O 29 0.103E+01 -0.352E-01 -0.849E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7444 SER 649 CA 599 GLN 550 N 34 0.990E+00 -0.356E-01 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7445 SER 649 CA 599 GLN 550 CA 35 0.897E+00 0.397E-02 -0.210E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7446 SER 649 CA 599 GLN 550 C 36 0.763E+00 0.593E-01 -0.489E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7447 SER 649 CA 599 GLN 550 O 37 0.728E+00 -0.872E-01 -0.678E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7448 SER 649 CA 599 GLN 550 CB 38 0.886E+00 -0.350E-02 -0.226E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7449 SER 649 CA 599 GLN 550 CG 39 0.942E+00 -0.199E-02 -0.157E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7450 SER 649 CA 599 GLN 550 CD 40 0.890E+00 0.726E-01 -0.196E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7451 SER 649 CA 599 GLN 550 OE1 41 0.963E+00 -0.603E-01 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7452 SER 649 CA 599 GLN 550 NE2 42 0.788E+00 -0.118E+00 -0.498E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7453 SER 649 CA 599 GLN 551 N 46 0.709E+00 -0.627E-01 -0.929E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7454 SER 649 CA 599 GLN 551 CA 47 0.602E+00 0.838E-02 -0.224E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7455 SER 649 CA 599 GLN 551 C 48 0.655E+00 0.796E-01 -0.121E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7456 SER 649 CA 599 GLN 551 O 49 0.600E+00 -0.129E+00 -0.214E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7457 SER 649 CA 599 GLN 551 CB 50 0.615E+00 -0.692E-02 -0.198E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7458 SER 649 CA 599 GLN 551 CG 51 0.560E+00 -0.530E-02 -0.338E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7459 SER 649 CA 599 GLN 551 CD 52 0.417E+00 0.360E+00 -0.131E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7460 SER 649 CA 599 GLN 551 OE1 53 0.330E+00 -0.634E+00 -0.154E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7461 SER 649 CA 599 GLN 551 NE2 54 0.416E+00 -0.478E+00 -0.170E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7462 SER 649 CA 599 GLN 552 N 58 0.787E+00 -0.518E-01 -0.501E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7463 SER 649 CA 599 GLN 552 CA 59 0.876E+00 0.412E-02 -0.242E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7464 SER 649 CA 599 GLN 552 C 60 0.887E+00 0.458E-01 -0.199E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7465 SER 649 CA 599 GLN 552 O 61 0.918E+00 -0.584E-01 -0.170E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7466 SER 649 CA 599 GLN 552 CB 62 0.102E+01 -0.282E-02 -0.973E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7467 SER 649 CA 599 ASN 553 N 70 0.887E+00 -0.470E-01 -0.245E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7468 SER 649 CA 599 ASN 553 CA 71 0.919E+00 0.465E-02 -0.182E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7469 SER 649 CA 599 ASN 553 C 72 0.816E+00 0.775E-01 -0.327E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7470 SER 649 CA 599 ASN 553 O 73 0.864E+00 -0.597E-01 -0.244E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7471 SER 649 CA 599 ASN 553 CB 74 0.962E+00 -0.904E-02 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7472 SER 649 CA 599 ASN 554 N 81 0.690E+00 -0.735E-01 -0.109E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7473 SER 649 CA 599 ASN 554 CA 82 0.593E+00 0.105E-01 -0.244E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7474 SER 649 CA 599 ASN 554 C 83 0.605E+00 0.138E+00 -0.193E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7475 SER 649 CA 599 ASN 554 O 84 0.638E+00 -0.105E+00 -0.149E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7476 SER 649 CA 599 ASN 554 CB 85 0.458E+00 -0.400E-01 -0.995E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7477 SER 649 CA 599 ASN 554 CG 86 0.503E+00 0.197E+00 -0.541E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7478 SER 649 CA 599 ASN 554 OD1 87 0.589E+00 -0.125E+00 -0.237E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7479 SER 649 CA 599 ASN 554 ND2 88 0.501E+00 -0.267E+00 -0.691E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7480 SER 649 CA 599 LEU 555 N 92 0.634E+00 -0.720E-01 -0.180E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7481 SER 649 CA 599 LEU 555 CA 93 0.695E+00 -0.170E-01 -0.958E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7482 SER 649 CA 599 LEU 555 C 94 0.829E+00 0.700E-01 -0.297E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7483 SER 649 CA 599 LEU 555 O 95 0.873E+00 -0.626E-01 -0.230E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7484 SER 649 CA 599 LEU 555 CB 96 0.740E+00 -0.216E-01 -0.663E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7485 SER 649 CA 599 LEU 555 CG 97 0.651E+00 0.369E-01 -0.141E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7486 SER 649 CA 599 LEU 555 CD1 98 0.757E+00 -0.176E-01 -0.577E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7487 SER 649 CA 599 LEU 555 CD2 99 0.570E+00 -0.314E-01 -0.307E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7488 SER 649 CA 599 LEU 556 N 101 0.913E+00 -0.370E-01 -0.206E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7489 SER 649 CA 599 LEU 556 CA 102 0.105E+01 -0.858E-02 -0.834E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7490 SER 649 CA 599 ARG 557 N 110 0.985E+00 -0.279E-01 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7491 SER 649 CA 599 ARG 557 CA 111 0.102E+01 -0.115E-01 -0.961E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7492 SER 649 CA 599 ARG 557 C 112 0.999E+00 0.664E-01 -0.979E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7493 SER 649 CA 599 ARG 557 CB 114 0.967E+00 -0.353E-02 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7494 SER 649 CA 599 ARG 557 NE 117 0.955E+00 0.452E-01 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7495 SER 649 CA 599 ARG 557 CZ 118 0.910E+00 0.593E-01 -0.170E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7496 SER 649 CA 599 ARG 557 NH1 119 0.961E+00 -0.660E-01 -0.151E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7497 SER 649 CA 599 ARG 557 NH2 120 0.842E+00 -0.817E-01 -0.335E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7498 SER 649 CA 599 ARG 557 HE 122 0.933E+00 0.121E-01 -0.507E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7499 SER 649 CA 599 ALA 558 N 127 0.896E+00 -0.435E-01 -0.230E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7500 SER 649 CA 599 ALA 558 CA 128 0.898E+00 -0.300E-02 -0.209E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7501 SER 649 CA 599 ALA 558 C 129 0.102E+01 0.499E-01 -0.841E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7502 SER 649 CA 599 ALA 558 CB 131 0.781E+00 -0.312E-01 -0.480E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7503 SER 649 C 600 GLY 547 CA 13 0.103E+01 -0.457E-01 -0.800E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7504 SER 649 C 600 GLY 547 C 14 0.966E+00 0.227E+00 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7505 SER 649 C 600 GLY 547 O 15 0.858E+00 -0.240E+00 -0.225E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7506 SER 649 C 600 ILE 548 N 17 0.105E+01 -0.156E+00 -0.793E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7507 SER 649 C 600 ILE 548 CA 18 0.105E+01 -0.355E-01 -0.744E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7508 SER 649 C 600 ILE 548 O 20 0.101E+01 -0.226E+00 -0.842E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7509 SER 649 C 600 GLN 550 CA 35 0.981E+00 0.141E-01 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7510 SER 649 C 600 GLN 550 C 36 0.852E+00 0.200E+00 -0.224E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7511 SER 649 C 600 GLN 550 O 37 0.835E+00 -0.279E+00 -0.266E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7512 SER 649 C 600 GLN 550 CB 38 0.957E+00 -0.127E-01 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7513 SER 649 C 600 GLN 550 CG 39 0.102E+01 -0.724E-02 -0.874E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7514 SER 649 C 600 GLN 550 CD 40 0.982E+00 0.255E+00 -0.958E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7515 SER 649 C 600 GLN 550 NE2 42 0.881E+00 -0.399E+00 -0.226E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7516 SER 649 C 600 GLN 551 N 46 0.782E+00 -0.214E+00 -0.461E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7517 SER 649 C 600 GLN 551 CA 47 0.673E+00 0.272E-01 -0.103E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7518 SER 649 C 600 GLN 551 C 48 0.740E+00 0.257E+00 -0.522E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7519 SER 649 C 600 GLN 551 O 49 0.697E+00 -0.388E+00 -0.782E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7520 SER 649 C 600 GLN 551 CB 50 0.653E+00 -0.250E-01 -0.123E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7521 SER 649 C 600 GLN 551 CG 51 0.579E+00 -0.201E-01 -0.248E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7522 SER 649 C 600 GLN 551 CD 52 0.430E+00 0.136E+01 -0.103E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7523 SER 649 C 600 GLN 551 OE1 53 0.380E+00 -0.177E+01 -0.197E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7524 SER 649 C 600 GLN 551 NE2 54 0.386E+00 -0.238E+01 -0.190E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7525 SER 649 C 600 GLN 552 N 58 0.868E+00 -0.179E+00 -0.247E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7526 SER 649 C 600 GLN 552 CA 59 0.965E+00 0.145E-01 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7527 SER 649 C 600 GLN 552 C 60 0.994E+00 0.157E+00 -0.895E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7528 SER 649 C 600 GLN 552 O 61 0.103E+01 -0.201E+00 -0.760E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7529 SER 649 C 600 ASN 553 N 70 0.100E+01 -0.160E+00 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7530 SER 649 C 600 ASN 553 CA 71 0.105E+01 0.157E-01 -0.745E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7531 SER 649 C 600 ASN 553 C 72 0.951E+00 0.247E+00 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7532 SER 649 C 600 ASN 553 O 73 0.100E+01 -0.193E+00 -0.879E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7533 SER 649 C 600 ASN 554 N 81 0.824E+00 -0.217E+00 -0.338E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7534 SER 649 C 600 ASN 554 CA 82 0.735E+00 0.280E-01 -0.613E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7535 SER 649 C 600 ASN 554 C 83 0.741E+00 0.377E+00 -0.517E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7536 SER 649 C 600 ASN 554 O 84 0.776E+00 -0.294E+00 -0.411E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7537 SER 649 C 600 ASN 554 CB 85 0.598E+00 -0.882E-01 -0.205E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7538 SER 649 C 600 ASN 554 CG 86 0.638E+00 0.478E+00 -0.125E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7539 SER 649 C 600 ASN 554 OD1 87 0.728E+00 -0.333E+00 -0.604E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7540 SER 649 C 600 ASN 554 ND2 88 0.617E+00 -0.688E+00 -0.188E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7541 SER 649 C 600 LEU 555 N 92 0.756E+00 -0.209E+00 -0.566E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7542 SER 649 C 600 LEU 555 CA 93 0.805E+00 -0.532E-01 -0.356E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7543 SER 649 C 600 LEU 555 C 94 0.945E+00 0.232E+00 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7544 SER 649 C 600 LEU 555 O 95 0.987E+00 -0.211E+00 -0.975E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7545 SER 649 C 600 LEU 555 CB 96 0.830E+00 -0.720E-01 -0.297E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7546 SER 649 C 600 LEU 555 CG 97 0.722E+00 0.123E+00 -0.677E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7547 SER 649 C 600 LEU 555 CD1 98 0.807E+00 -0.644E-01 -0.349E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7548 SER 649 C 600 LEU 555 CD2 99 0.632E+00 -0.103E+00 -0.149E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7549 SER 649 C 600 LEU 556 N 101 0.103E+01 -0.126E+00 -0.875E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7550 SER 649 C 600 ARG 557 NH2 120 0.984E+00 -0.261E+00 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7551 SER 649 C 600 ALA 558 N 127 0.103E+01 -0.145E+00 -0.900E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7552 SER 649 C 600 ALA 558 CA 128 0.102E+01 -0.101E-01 -0.869E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7553 SER 649 C 600 ALA 558 CB 131 0.893E+00 -0.102E+00 -0.192E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7554 SER 649 O 601 GLY 547 CA 13 0.950E+00 0.622E-01 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7555 SER 649 O 601 GLY 547 C 14 0.882E+00 -0.315E+00 -0.191E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7556 SER 649 O 601 GLY 547 O 15 0.781E+00 0.340E+00 -0.403E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7557 SER 649 O 601 ILE 548 N 17 0.962E+00 0.214E+00 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7558 SER 649 O 601 ILE 548 CA 18 0.959E+00 0.485E-01 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7559 SER 649 O 601 ILE 548 C 19 0.995E+00 -0.256E+00 -0.927E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7560 SER 649 O 601 ILE 548 O 20 0.946E+00 0.301E+00 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7561 SER 649 O 601 GLN 550 N 34 0.102E+01 0.169E+00 -0.990E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7562 SER 649 O 601 GLN 550 CA 35 0.945E+00 -0.180E-01 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7563 SER 649 O 601 GLN 550 C 36 0.822E+00 -0.256E+00 -0.293E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7564 SER 649 O 601 GLN 550 O 37 0.821E+00 0.346E+00 -0.299E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7565 SER 649 O 601 GLN 550 CB 38 0.915E+00 0.164E-01 -0.174E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7566 SER 649 O 601 GLN 550 CG 39 0.985E+00 0.913E-02 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7567 SER 649 O 601 GLN 550 CD 40 0.968E+00 -0.313E+00 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7568 SER 649 O 601 GLN 550 NE2 42 0.875E+00 0.485E+00 -0.244E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7569 SER 649 O 601 GLN 551 N 46 0.737E+00 0.288E+00 -0.683E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7570 SER 649 O 601 GLN 551 CA 47 0.631E+00 -0.373E-01 -0.159E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7571 SER 649 O 601 GLN 551 C 48 0.710E+00 -0.334E+00 -0.697E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7572 SER 649 O 601 GLN 551 O 49 0.685E+00 0.483E+00 -0.883E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7573 SER 649 O 601 GLN 551 CB 50 0.586E+00 0.378E-01 -0.245E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7574 SER 649 O 601 GLN 551 CG 51 0.507E+00 0.327E-01 -0.560E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7575 SER 649 O 601 GLN 551 CD 52 0.365E+00 -0.251E+01 -0.215E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7576 SER 649 O 601 GLN 551 OE1 53 0.342E+00 0.282E+01 -0.332E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7577 SER 649 O 601 GLN 551 NE2 54 0.305E+00 0.545E+01 0.146E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7578 SER 649 O 601 GLN 552 N 58 0.833E+00 0.231E+00 -0.328E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7579 SER 649 O 601 GLN 552 CA 59 0.939E+00 -0.182E-01 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7580 SER 649 O 601 GLN 552 C 60 0.985E+00 -0.191E+00 -0.986E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7581 SER 649 O 601 GLN 552 O 61 0.103E+01 0.242E+00 -0.764E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7582 SER 649 O 601 ASN 553 N 70 0.994E+00 0.194E+00 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7583 SER 649 O 601 ASN 553 C 72 0.974E+00 -0.286E+00 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7584 SER 649 O 601 ASN 553 O 73 0.104E+01 0.221E+00 -0.727E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7585 SER 649 O 601 ASN 554 N 81 0.846E+00 0.250E+00 -0.300E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7586 SER 649 O 601 ASN 554 CA 82 0.775E+00 -0.305E-01 -0.469E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7587 SER 649 O 601 ASN 554 C 83 0.786E+00 -0.407E+00 -0.380E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7588 SER 649 O 601 ASN 554 O 84 0.837E+00 0.310E+00 -0.266E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7589 SER 649 O 601 ASN 554 CB 85 0.635E+00 0.934E-01 -0.152E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7590 SER 649 O 601 ASN 554 CG 86 0.669E+00 -0.524E+00 -0.998E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7591 SER 649 O 601 ASN 554 OD1 87 0.767E+00 0.363E+00 -0.447E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7592 SER 649 O 601 ASN 554 ND2 88 0.625E+00 0.805E+00 -0.182E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7593 SER 649 O 601 LEU 555 N 92 0.785E+00 0.235E+00 -0.467E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7594 SER 649 O 601 LEU 555 CA 93 0.836E+00 0.599E-01 -0.297E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7595 SER 649 O 601 LEU 555 C 94 0.983E+00 -0.263E+00 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7596 SER 649 O 601 LEU 555 O 95 0.104E+01 0.237E+00 -0.745E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7597 SER 649 O 601 LEU 555 CB 96 0.842E+00 0.845E-01 -0.286E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7598 SER 649 O 601 LEU 555 CG 97 0.720E+00 -0.149E+00 -0.726E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7599 SER 649 O 601 LEU 555 CD1 98 0.786E+00 0.813E-01 -0.430E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7600 SER 649 O 601 LEU 555 CD2 99 0.644E+00 0.119E+00 -0.141E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7601 SER 649 O 601 ARG 557 NH2 120 0.104E+01 0.291E+00 -0.886E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7602 SER 649 O 601 ALA 558 CB 131 0.972E+00 0.107E+00 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7603 SER 649 CB 602 GLY 547 C 14 0.100E+01 0.654E-01 -0.956E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7604 SER 649 CB 602 GLY 547 O 15 0.885E+00 -0.695E-01 -0.212E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7605 SER 649 CB 602 ILE 548 C 19 0.104E+01 0.608E-01 -0.770E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7606 SER 649 CB 602 ILE 548 O 20 0.961E+00 -0.744E-01 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7607 SER 649 CB 602 VAL 549 O 29 0.103E+01 -0.438E-01 -0.850E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7608 SER 649 CB 602 GLN 550 N 34 0.102E+01 -0.425E-01 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7609 SER 649 CB 602 GLN 550 CA 35 0.935E+00 0.463E-02 -0.163E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7610 SER 649 CB 602 GLN 550 C 36 0.790E+00 0.693E-01 -0.396E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7611 SER 649 CB 602 GLN 550 O 37 0.744E+00 -0.104E+00 -0.598E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7612 SER 649 CB 602 GLN 550 CB 38 0.947E+00 -0.392E-02 -0.152E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7613 SER 649 CB 602 GLN 550 CG 39 0.101E+01 -0.221E-02 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7614 SER 649 CB 602 GLN 550 CD 40 0.957E+00 0.807E-01 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7615 SER 649 CB 602 GLN 550 OE1 41 0.102E+01 -0.692E-01 -0.915E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7616 SER 649 CB 602 GLN 550 NE2 42 0.864E+00 -0.125E+00 -0.287E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7617 SER 649 CB 602 GLN 551 N 46 0.736E+00 -0.729E-01 -0.747E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7618 SER 649 CB 602 GLN 551 CA 47 0.612E+00 0.101E-01 -0.203E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7619 SER 649 CB 602 GLN 551 C 48 0.631E+00 0.107E+00 -0.151E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7620 SER 649 CB 602 GLN 551 O 49 0.554E+00 -0.191E+00 -0.341E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7621 SER 649 CB 602 GLN 551 CB 50 0.630E+00 -0.819E-02 -0.171E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7622 SER 649 CB 602 GLN 551 CG 51 0.556E+00 -0.671E-02 -0.352E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7623 SER 649 CB 602 GLN 551 CD 52 0.418E+00 0.446E+00 -0.130E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7624 SER 649 CB 602 GLN 551 OE1 53 0.338E+00 -0.737E+00 -0.209E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7625 SER 649 CB 602 GLN 551 NE2 54 0.417E+00 -0.591E+00 -0.169E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7626 SER 649 CB 602 GLN 552 N 58 0.759E+00 -0.689E-01 -0.622E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7627 SER 649 CB 602 GLN 552 CA 59 0.827E+00 0.565E-02 -0.341E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7628 SER 649 CB 602 GLN 552 C 60 0.832E+00 0.634E-01 -0.292E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7629 SER 649 CB 602 GLN 552 O 61 0.845E+00 -0.832E-01 -0.278E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7630 SER 649 CB 602 GLN 552 CB 62 0.976E+00 -0.375E-02 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7631 SER 649 CB 602 GLN 552 CG 63 0.100E+01 -0.224E-02 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7632 SER 649 CB 602 ASN 553 N 70 0.850E+00 -0.628E-01 -0.317E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7633 SER 649 CB 602 ASN 553 CA 71 0.881E+00 0.619E-02 -0.234E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7634 SER 649 CB 602 ASN 553 C 72 0.770E+00 0.107E+00 -0.462E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7635 SER 649 CB 602 ASN 553 O 73 0.806E+00 -0.838E-01 -0.371E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7636 SER 649 CB 602 ASN 553 CB 74 0.945E+00 -0.116E-01 -0.154E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7637 SER 649 CB 602 ASN 553 CG 75 0.103E+01 0.630E-01 -0.800E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7638 SER 649 CB 602 ASN 553 OD1 76 0.105E+01 -0.558E-01 -0.779E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7639 SER 649 CB 602 ASN 554 N 81 0.653E+00 -0.102E+00 -0.151E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7640 SER 649 CB 602 ASN 554 CA 82 0.547E+00 0.157E-01 -0.387E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7641 SER 649 CB 602 ASN 554 C 83 0.522E+00 0.238E+00 -0.442E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7642 SER 649 CB 602 ASN 554 O 84 0.544E+00 -0.184E+00 -0.375E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7643 SER 649 CB 602 ASN 554 CB 85 0.437E+00 -0.560E-01 -0.123E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7644 SER 649 CB 602 ASN 554 CG 86 0.524E+00 0.224E+00 -0.435E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7645 SER 649 CB 602 ASN 554 OD1 87 0.613E+00 -0.143E+00 -0.188E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7646 SER 649 CB 602 ASN 554 ND2 88 0.547E+00 -0.272E+00 -0.424E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7647 SER 649 CB 602 LEU 555 N 92 0.541E+00 -0.126E+00 -0.450E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7648 SER 649 CB 602 LEU 555 CA 93 0.580E+00 -0.309E-01 -0.277E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7649 SER 649 CB 602 LEU 555 C 94 0.713E+00 0.115E+00 -0.733E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7650 SER 649 CB 602 LEU 555 O 95 0.747E+00 -0.102E+00 -0.582E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7651 SER 649 CB 602 LEU 555 CB 96 0.626E+00 -0.373E-01 -0.177E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7652 SER 649 CB 602 LEU 555 CG 97 0.545E+00 0.673E-01 -0.394E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7653 SER 649 CB 602 LEU 555 CD1 98 0.659E+00 -0.287E-01 -0.131E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7654 SER 649 CB 602 LEU 555 CD2 99 0.446E+00 -0.696E-01 -0.112E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7655 SER 649 CB 602 LEU 556 N 101 0.808E+00 -0.565E-01 -0.427E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7656 SER 649 CB 602 LEU 556 CA 102 0.942E+00 -0.125E-01 -0.157E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7657 SER 649 CB 602 LEU 556 C 103 0.953E+00 0.697E-01 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7658 SER 649 CB 602 LEU 556 O 104 0.103E+01 -0.601E-01 -0.832E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7659 SER 649 CB 602 LEU 556 CB 105 0.103E+01 -0.155E-01 -0.903E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7660 SER 649 CB 602 ARG 557 N 110 0.892E+00 -0.406E-01 -0.238E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7661 SER 649 CB 602 ARG 557 CA 111 0.933E+00 -0.164E-01 -0.166E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7662 SER 649 CB 602 ARG 557 C 112 0.898E+00 0.974E-01 -0.185E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7663 SER 649 CB 602 ARG 557 O 113 0.991E+00 -0.662E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7664 SER 649 CB 602 ARG 557 CB 114 0.897E+00 -0.494E-02 -0.210E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7665 SER 649 CB 602 ARG 557 CG 115 0.101E+01 0.134E-02 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7666 SER 649 CB 602 ARG 557 CD 116 0.102E+01 0.138E-01 -0.977E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7667 SER 649 CB 602 ARG 557 NE 117 0.932E+00 0.584E-01 -0.182E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7668 SER 649 CB 602 ARG 557 CZ 118 0.906E+00 0.744E-01 -0.176E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7669 SER 649 CB 602 ARG 557 NH1 119 0.959E+00 -0.825E-01 -0.153E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7670 SER 649 CB 602 ARG 557 NH2 120 0.856E+00 -0.990E-01 -0.304E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7671 SER 649 CB 602 ARG 557 HE 122 0.910E+00 0.157E-01 -0.589E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7672 SER 649 CB 602 ALA 558 N 127 0.786E+00 -0.677E-01 -0.504E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7673 SER 649 CB 602 ALA 558 CA 128 0.778E+00 -0.477E-02 -0.493E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7674 SER 649 CB 602 ALA 558 C 129 0.896E+00 0.763E-01 -0.187E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7675 SER 649 CB 602 ALA 558 O 130 0.974E+00 -0.652E-01 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7676 SER 649 CB 602 ALA 558 CB 131 0.652E+00 -0.549E-01 -0.140E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7677 SER 649 CB 602 ILE 559 N 133 0.934E+00 -0.565E-01 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7678 SER 649 CB 602 ILE 559 CG1 138 0.101E+01 0.245E-02 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7679 SER 649 CB 602 ILE 559 CD1 140 0.104E+01 -0.107E-01 -0.844E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7680 SER 649 OG 603 GLY 547 C 14 0.100E+01 -0.285E+00 -0.986E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7681 SER 649 OG 603 GLY 547 O 15 0.881E+00 0.305E+00 -0.219E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7682 SER 649 OG 603 ILE 548 CA 18 0.104E+01 0.472E-01 -0.873E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7683 SER 649 OG 603 ILE 548 C 19 0.101E+01 -0.275E+00 -0.927E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7684 SER 649 OG 603 ILE 548 O 20 0.926E+00 0.343E+00 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7685 SER 649 OG 603 VAL 549 C 28 0.995E+00 -0.222E+00 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7686 SER 649 OG 603 VAL 549 O 29 0.954E+00 0.214E+00 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7687 SER 649 OG 603 GLN 550 N 34 0.967E+00 0.200E+00 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7688 SER 649 OG 603 GLN 550 CA 35 0.877E+00 -0.223E-01 -0.246E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7689 SER 649 OG 603 GLN 550 C 36 0.730E+00 -0.349E+00 -0.655E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7690 SER 649 OG 603 GLN 550 O 37 0.665E+00 0.563E+00 -0.117E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7691 SER 649 OG 603 GLN 550 CB 38 0.906E+00 0.183E-01 -0.203E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7692 SER 649 OG 603 GLN 550 CG 39 0.970E+00 0.103E-01 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7693 SER 649 OG 603 GLN 550 CD 40 0.899E+00 -0.388E+00 -0.189E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7694 SER 649 OG 603 GLN 550 OE1 41 0.945E+00 0.336E+00 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7695 SER 649 OG 603 GLN 550 NE2 42 0.811E+00 0.607E+00 -0.425E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7696 SER 649 OG 603 GLN 551 N 46 0.694E+00 0.355E+00 -0.108E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7697 SER 649 OG 603 GLN 551 CA 47 0.575E+00 -0.502E-01 -0.303E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7698 SER 649 OG 603 GLN 551 C 48 0.570E+00 -0.579E+00 -0.281E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7699 SER 649 OG 603 GLN 551 O 49 0.478E+00 0.117E+01 -0.805E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7700 SER 649 OG 603 GLN 551 CB 50 0.624E+00 0.363E-01 -0.186E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7701 SER 649 OG 603 GLN 551 CG 51 0.571E+00 0.275E-01 -0.313E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7702 SER 649 OG 603 GLN 551 CD 52 0.455E+00 -0.157E+01 -0.985E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7703 SER 649 OG 603 GLN 551 OE1 53 0.357E+00 0.276E+01 -0.314E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7704 SER 649 OG 603 GLN 551 NE2 54 0.489E+00 0.173E+01 -0.822E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7705 SER 649 OG 603 GLN 552 N 58 0.695E+00 0.354E+00 -0.107E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7706 SER 649 OG 603 GLN 552 CA 59 0.750E+00 -0.293E-01 -0.629E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7707 SER 649 OG 603 GLN 552 C 60 0.733E+00 -0.346E+00 -0.637E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7708 SER 649 OG 603 GLN 552 O 61 0.738E+00 0.461E+00 -0.629E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7709 SER 649 OG 603 GLN 552 CB 62 0.902E+00 0.184E-01 -0.208E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7710 SER 649 OG 603 GLN 552 CG 63 0.947E+00 0.107E-01 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7711 SER 649 OG 603 ASN 553 N 70 0.747E+00 0.343E+00 -0.699E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7712 SER 649 OG 603 ASN 553 CA 71 0.764E+00 -0.345E-01 -0.564E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7713 SER 649 OG 603 ASN 553 C 72 0.644E+00 -0.657E+00 -0.137E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7714 SER 649 OG 603 ASN 553 O 73 0.671E+00 0.514E+00 -0.111E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7715 SER 649 OG 603 ASN 553 CB 74 0.832E+00 0.620E-01 -0.339E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7716 SER 649 OG 603 ASN 553 CG 75 0.911E+00 -0.332E+00 -0.175E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7717 SER 649 OG 603 ASN 553 OD1 76 0.915E+00 0.297E+00 -0.174E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7718 SER 649 OG 603 ASN 553 ND2 77 0.100E+01 0.384E+00 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7719 SER 649 OG 603 ASN 554 N 81 0.533E+00 0.691E+00 -0.509E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7720 SER 649 OG 603 ASN 554 CA 82 0.416E+00 -0.132E+00 -0.169E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7721 SER 649 OG 603 ASN 554 C 83 0.387E+00 -0.220E+01 -0.197E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7722 SER 649 OG 603 ASN 554 O 84 0.405E+00 0.165E+01 -0.192E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7723 SER 649 OG 603 ASN 554 CB 85 0.323E+00 0.543E+00 -0.166E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7724 SER 649 OG 603 ASN 554 CG 86 0.432E+00 -0.156E+01 -0.127E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7725 SER 649 OG 603 ASN 554 OD1 87 0.514E+00 0.921E+00 -0.532E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7726 SER 649 OG 603 ASN 554 ND2 88 0.483E+00 0.159E+01 -0.888E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7727 SER 649 OG 603 LEU 555 N 92 0.421E+00 0.101E+01 -0.179E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7728 SER 649 OG 603 LEU 555 CA 93 0.472E+00 0.216E+00 -0.914E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7729 SER 649 OG 603 LEU 555 C 94 0.596E+00 -0.718E+00 -0.217E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7730 SER 649 OG 603 LEU 555 O 95 0.632E+00 0.617E+00 -0.158E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7731 SER 649 OG 603 LEU 555 CB 96 0.543E+00 0.222E+00 -0.420E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7732 SER 649 OG 603 LEU 555 CG 97 0.490E+00 -0.376E+00 -0.746E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7733 SER 649 OG 603 LEU 555 CD1 98 0.625E+00 0.140E+00 -0.186E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7734 SER 649 OG 603 LEU 555 CD2 99 0.409E+00 0.377E+00 -0.182E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7735 SER 649 OG 603 LEU 556 N 101 0.687E+00 0.332E+00 -0.115E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7736 SER 649 OG 603 LEU 556 CA 102 0.816E+00 0.688E-01 -0.379E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7737 SER 649 OG 603 LEU 556 C 103 0.820E+00 -0.387E+00 -0.327E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7738 SER 649 OG 603 LEU 556 O 104 0.904E+00 0.321E+00 -0.187E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7739 SER 649 OG 603 LEU 556 CB 105 0.906E+00 0.824E-01 -0.202E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7740 SER 649 OG 603 ARG 557 N 110 0.753E+00 0.236E+00 -0.662E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7741 SER 649 OG 603 ARG 557 CA 111 0.794E+00 0.937E-01 -0.448E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7742 SER 649 OG 603 ARG 557 C 112 0.765E+00 -0.558E+00 -0.496E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7743 SER 649 OG 603 ARG 557 O 113 0.862E+00 0.359E+00 -0.248E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7744 SER 649 OG 603 ARG 557 CB 114 0.756E+00 0.289E-01 -0.599E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7745 SER 649 OG 603 ARG 557 CG 115 0.865E+00 -0.741E-02 -0.268E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7746 SER 649 OG 603 ARG 557 CD 116 0.883E+00 -0.752E-01 -0.237E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7747 SER 649 OG 603 ARG 557 NE 117 0.801E+00 -0.327E+00 -0.460E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7748 SER 649 OG 603 ARG 557 CZ 118 0.783E+00 -0.414E+00 -0.430E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7749 SER 649 OG 603 ARG 557 NH1 119 0.841E+00 0.444E+00 -0.344E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7750 SER 649 OG 603 ARG 557 NH2 120 0.743E+00 0.552E+00 -0.718E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7751 SER 649 OG 603 ARG 557 HE 122 0.778E+00 -0.888E-01 -0.131E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7752 SER 649 OG 603 ALA 558 N 127 0.658E+00 0.413E+00 -0.149E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7753 SER 649 OG 603 ALA 558 CA 128 0.664E+00 0.281E-01 -0.130E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7754 SER 649 OG 603 ALA 558 C 129 0.789E+00 -0.412E+00 -0.412E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7755 SER 649 OG 603 ALA 558 O 130 0.874E+00 0.337E+00 -0.228E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7756 SER 649 OG 603 ALA 558 CB 131 0.549E+00 0.346E+00 -0.395E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7757 SER 649 OG 603 ILE 559 N 133 0.825E+00 0.301E+00 -0.385E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7758 SER 649 OG 603 ILE 559 CA 134 0.960E+00 0.534E-01 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7759 SER 649 OG 603 ILE 559 CB 137 0.993E+00 -0.308E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7760 SER 649 OG 603 ILE 559 CG1 138 0.919E+00 -0.123E-01 -0.186E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7761 SER 649 OG 603 ILE 559 CD1 140 0.957E+00 0.531E-01 -0.146E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7762 SER 649 OG 603 ALA 561 CB 156 0.104E+01 0.108E+00 -0.912E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7763 SER 649 OG 603 GLN 562 CD 164 0.103E+01 -0.316E+00 -0.852E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7764 SER 649 OG 603 GLN 562 OE1 165 0.102E+01 0.300E+00 -0.902E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7765 SER 649 OG 603 GLN 562 NE2 166 0.102E+01 0.420E+00 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7766 SER 649 HG 605 GLY 547 CA 13 0.101E+01 -0.438E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7767 SER 649 HG 605 GLY 547 C 14 0.913E+00 0.229E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7768 SER 649 HG 605 GLY 547 O 15 0.791E+00 -0.255E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7769 SER 649 HG 605 ILE 548 N 17 0.986E+00 -0.158E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7770 SER 649 HG 605 ILE 548 CA 18 0.953E+00 -0.376E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7771 SER 649 HG 605 ILE 548 C 19 0.918E+00 0.222E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7772 SER 649 HG 605 ILE 548 O 20 0.833E+00 -0.284E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7773 SER 649 HG 605 VAL 549 N 26 0.101E+01 -0.153E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7774 SER 649 HG 605 VAL 549 CA 27 0.101E+01 -0.176E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7775 SER 649 HG 605 VAL 549 C 28 0.899E+00 0.181E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7776 SER 649 HG 605 VAL 549 O 29 0.860E+00 -0.176E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7777 SER 649 HG 605 GLN 550 N 34 0.871E+00 -0.164E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7778 SER 649 HG 605 GLN 550 CA 35 0.784E+00 0.188E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7779 SER 649 HG 605 GLN 550 C 36 0.636E+00 0.320E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7780 SER 649 HG 605 GLN 550 O 37 0.574E+00 -0.536E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7781 SER 649 HG 605 GLN 550 CB 38 0.817E+00 -0.152E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7782 SER 649 HG 605 GLN 550 CG 39 0.886E+00 -0.827E-02 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7783 SER 649 HG 605 GLN 550 CD 40 0.819E+00 0.315E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7784 SER 649 HG 605 GLN 550 OE1 41 0.867E+00 -0.269E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7785 SER 649 HG 605 GLN 550 NE2 42 0.739E+00 -0.501E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7786 SER 649 HG 605 GLN 551 N 46 0.598E+00 -0.335E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7787 SER 649 HG 605 GLN 551 CA 47 0.480E+00 0.531E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7788 SER 649 HG 605 GLN 551 C 48 0.477E+00 0.609E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7789 SER 649 HG 605 GLN 551 O 49 0.389E+00 -0.137E+01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7790 SER 649 HG 605 GLN 551 CB 50 0.537E+00 -0.352E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7791 SER 649 HG 605 GLN 551 CG 51 0.496E+00 -0.264E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7792 SER 649 HG 605 GLN 551 CD 52 0.391E+00 0.160E+01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7793 SER 649 HG 605 GLN 551 OE1 53 0.287E+00 -0.356E+01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7794 SER 649 HG 605 GLN 551 NE2 54 0.449E+00 -0.149E+01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7795 SER 649 HG 605 GLN 552 N 58 0.604E+00 -0.329E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7796 SER 649 HG 605 GLN 552 CA 59 0.665E+00 0.257E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7797 SER 649 HG 605 GLN 552 C 60 0.654E+00 0.302E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7798 SER 649 HG 605 GLN 552 O 61 0.669E+00 -0.388E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7799 SER 649 HG 605 GLN 552 CB 62 0.817E+00 -0.152E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7800 SER 649 HG 605 GLN 552 CG 63 0.865E+00 -0.859E-02 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7801 SER 649 HG 605 GLN 552 CD 64 0.101E+01 0.224E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7802 SER 649 HG 605 ASN 553 N 70 0.663E+00 -0.301E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7803 SER 649 HG 605 ASN 553 CA 71 0.688E+00 0.293E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7804 SER 649 HG 605 ASN 553 C 72 0.577E+00 0.577E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7805 SER 649 HG 605 ASN 553 O 73 0.618E+00 -0.424E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7806 SER 649 HG 605 ASN 553 CB 74 0.754E+00 -0.514E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7807 SER 649 HG 605 ASN 553 CG 75 0.842E+00 0.263E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7808 SER 649 HG 605 ASN 553 OD1 76 0.855E+00 -0.231E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7809 SER 649 HG 605 ASN 553 ND2 77 0.933E+00 -0.298E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7810 SER 649 HG 605 ASN 554 N 81 0.460E+00 -0.684E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7811 SER 649 HG 605 ASN 554 CA 82 0.358E+00 0.137E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7812 SER 649 HG 605 ASN 554 C 83 0.347E+00 0.205E+01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7813 SER 649 HG 605 ASN 554 O 84 0.393E+00 -0.124E+01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7814 SER 649 HG 605 ASN 554 CB 85 0.253E+00 -0.769E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7815 SER 649 HG 605 ASN 554 CG 86 0.363E+00 0.171E+01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7816 SER 649 HG 605 ASN 554 OD1 87 0.459E+00 -0.841E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7817 SER 649 HG 605 ASN 554 ND2 88 0.404E+00 -0.172E+01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7818 SER 649 HG 605 LEU 555 N 92 0.372E+00 -0.975E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7819 SER 649 HG 605 LEU 555 CA 93 0.443E+00 -0.176E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7820 SER 649 HG 605 LEU 555 C 94 0.574E+00 0.543E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7821 SER 649 HG 605 LEU 555 O 95 0.628E+00 -0.436E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7822 SER 649 HG 605 LEU 555 CB 96 0.505E+00 -0.183E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7823 SER 649 HG 605 LEU 555 CG 97 0.446E+00 0.329E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7824 SER 649 HG 605 LEU 555 CD1 98 0.579E+00 -0.114E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7825 SER 649 HG 605 LEU 555 CD2 99 0.392E+00 -0.294E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7826 SER 649 HG 605 LEU 556 N 101 0.651E+00 -0.258E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7827 SER 649 HG 605 LEU 556 CA 102 0.785E+00 -0.513E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7828 SER 649 HG 605 LEU 556 C 103 0.800E+00 0.282E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7829 SER 649 HG 605 LEU 556 O 104 0.893E+00 -0.228E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7830 SER 649 HG 605 LEU 556 CB 105 0.862E+00 -0.623E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7831 SER 649 HG 605 LEU 556 CG 106 0.101E+01 0.649E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7832 SER 649 HG 605 ARG 557 N 110 0.733E+00 -0.173E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7833 SER 649 HG 605 ARG 557 CA 111 0.785E+00 -0.665E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7834 SER 649 HG 605 ARG 557 C 112 0.774E+00 0.380E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7835 SER 649 HG 605 ARG 557 O 113 0.879E+00 -0.242E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7836 SER 649 HG 605 ARG 557 CB 114 0.744E+00 -0.207E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7837 SER 649 HG 605 ARG 557 CG 115 0.841E+00 0.541E-02 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7838 SER 649 HG 605 ARG 557 CD 116 0.858E+00 0.550E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7839 SER 649 HG 605 ARG 557 NE 117 0.767E+00 0.246E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7840 SER 649 HG 605 ARG 557 CZ 118 0.754E+00 0.309E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7841 SER 649 HG 605 ARG 557 NH1 119 0.825E+00 -0.320E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7842 SER 649 HG 605 ARG 557 NH2 120 0.705E+00 -0.425E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7843 SER 649 HG 605 ARG 557 HE 122 0.734E+00 0.689E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7844 SER 649 HG 605 ALA 558 N 127 0.673E+00 -0.275E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7845 SER 649 HG 605 ALA 558 CA 128 0.698E+00 -0.177E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7846 SER 649 HG 605 ALA 558 C 129 0.822E+00 0.267E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7847 SER 649 HG 605 ALA 558 O 130 0.916E+00 -0.218E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7848 SER 649 HG 605 ALA 558 CB 131 0.590E+00 -0.205E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7849 SER 649 HG 605 ILE 559 N 133 0.846E+00 -0.201E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7850 SER 649 HG 605 ILE 559 CA 134 0.980E+00 -0.360E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7851 SER 649 HG 605 ILE 559 CB 137 0.100E+01 0.213E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7852 SER 649 HG 605 ILE 559 CG1 138 0.926E+00 0.848E-02 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7853 SER 649 HG 605 ILE 559 CD1 140 0.950E+00 -0.374E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7854 GLN 650 N 606 GLY 547 O 15 0.987E+00 0.154E+00 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7855 GLN 650 N 606 GLN 550 C 36 0.980E+00 -0.128E+00 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7856 GLN 650 N 606 GLN 550 O 37 0.958E+00 0.179E+00 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7857 GLN 650 N 606 GLN 550 NE2 42 0.986E+00 0.268E+00 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7858 GLN 650 N 606 GLN 551 N 46 0.913E+00 0.132E+00 -0.224E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7859 GLN 650 N 606 GLN 551 CA 47 0.805E+00 -0.156E-01 -0.437E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7860 GLN 650 N 606 GLN 551 C 48 0.867E+00 -0.156E+00 -0.249E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7861 GLN 650 N 606 GLN 551 O 49 0.817E+00 0.232E+00 -0.368E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7862 GLN 650 N 606 GLN 551 CB 50 0.785E+00 0.141E-01 -0.510E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7863 GLN 650 N 606 GLN 551 CG 51 0.705E+00 0.108E-01 -0.965E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7864 GLN 650 N 606 GLN 551 CD 52 0.555E+00 -0.591E+00 -0.345E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7865 GLN 650 N 606 GLN 551 OE1 53 0.509E+00 0.678E+00 -0.598E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7866 GLN 650 N 606 GLN 551 NE2 54 0.497E+00 0.101E+01 -0.796E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7867 GLN 650 N 606 GLN 552 N 58 0.996E+00 0.116E+00 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7868 GLN 650 N 606 ASN 554 N 81 0.930E+00 0.143E+00 -0.200E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7869 GLN 650 N 606 ASN 554 CA 82 0.830E+00 -0.180E-01 -0.366E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7870 GLN 650 N 606 ASN 554 C 83 0.827E+00 -0.248E+00 -0.330E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7871 GLN 650 N 606 ASN 554 O 84 0.846E+00 0.203E+00 -0.299E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7872 GLN 650 N 606 ASN 554 CB 85 0.698E+00 0.515E-01 -0.102E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7873 GLN 650 N 606 ASN 554 CG 86 0.740E+00 -0.287E+00 -0.641E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7874 GLN 650 N 606 ASN 554 OD1 87 0.819E+00 0.216E+00 -0.364E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7875 GLN 650 N 606 ASN 554 ND2 88 0.729E+00 0.395E+00 -0.861E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7876 GLN 650 N 606 LEU 555 N 92 0.849E+00 0.137E+00 -0.346E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7877 GLN 650 N 606 LEU 555 CA 93 0.888E+00 0.361E-01 -0.244E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7878 GLN 650 N 606 LEU 555 C 94 0.102E+01 -0.165E+00 -0.927E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7879 GLN 650 N 606 LEU 555 CB 96 0.920E+00 0.487E-01 -0.197E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7880 GLN 650 N 606 LEU 555 CG 97 0.818E+00 -0.788E-01 -0.399E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7881 GLN 650 N 606 LEU 555 CD1 98 0.904E+00 0.427E-01 -0.219E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7882 GLN 650 N 606 LEU 555 CD2 99 0.711E+00 0.651E-01 -0.914E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7883 GLN 650 N 606 ALA 558 CA 128 0.105E+01 0.776E-02 -0.893E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7884 GLN 650 N 606 ALA 558 CB 131 0.922E+00 0.775E-01 -0.195E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7885 GLN 650 CA 607 GLN 551 N 46 0.102E+01 -0.108E-01 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7886 GLN 650 CA 607 GLN 551 CA 47 0.910E+00 0.122E-02 -0.193E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7887 GLN 650 CA 607 GLN 551 C 48 0.980E+00 0.123E-01 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7888 GLN 650 CA 607 GLN 551 O 49 0.938E+00 -0.177E-01 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7889 GLN 650 CA 607 GLN 551 CB 50 0.870E+00 -0.113E-02 -0.252E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7890 GLN 650 CA 607 GLN 551 CG 51 0.782E+00 -0.848E-03 -0.476E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7891 GLN 650 CA 607 GLN 551 CD 52 0.638E+00 0.420E-01 -0.142E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7892 GLN 650 CA 607 GLN 551 OE1 53 0.613E+00 -0.429E-01 -0.188E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7893 GLN 650 CA 607 GLN 551 NE2 54 0.556E+00 -0.744E-01 -0.385E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7894 GLN 650 CA 607 ASN 554 CA 82 0.973E+00 0.133E-02 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7895 GLN 650 CA 607 ASN 554 C 83 0.969E+00 0.184E-01 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7896 GLN 650 CA 607 ASN 554 O 84 0.989E+00 -0.152E-01 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7897 GLN 650 CA 607 ASN 554 CB 85 0.840E+00 -0.353E-02 -0.312E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7898 GLN 650 CA 607 ASN 554 CG 86 0.877E+00 0.204E-01 -0.214E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7899 GLN 650 CA 607 ASN 554 OD1 87 0.957E+00 -0.160E-01 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7900 GLN 650 CA 607 ASN 554 ND2 88 0.855E+00 -0.284E-01 -0.305E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7901 GLN 650 CA 607 LEU 555 N 92 0.984E+00 -0.104E-01 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7902 GLN 650 CA 607 LEU 555 CA 93 0.102E+01 -0.281E-02 -0.999E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7903 GLN 650 CA 607 LEU 555 CB 96 0.104E+01 -0.389E-02 -0.887E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7904 GLN 650 CA 607 LEU 555 CG 97 0.925E+00 0.615E-02 -0.175E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7905 GLN 650 CA 607 LEU 555 CD1 98 0.996E+00 -0.352E-02 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7906 GLN 650 CA 607 LEU 555 CD2 99 0.815E+00 -0.485E-02 -0.372E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7907 GLN 650 CA 607 ALA 558 CB 131 0.105E+01 -0.612E-02 -0.831E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7908 GLN 650 C 608 GLY 547 O 15 0.101E+01 -0.161E+00 -0.827E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7909 GLN 650 C 608 GLN 551 N 46 0.101E+01 -0.124E+00 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7910 GLN 650 C 608 GLN 551 CA 47 0.915E+00 0.136E-01 -0.165E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7911 GLN 650 C 608 GLN 551 C 48 0.101E+01 0.134E+00 -0.834E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7912 GLN 650 C 608 GLN 551 O 49 0.980E+00 -0.187E+00 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7913 GLN 650 C 608 GLN 551 CB 50 0.868E+00 -0.128E-01 -0.226E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7914 GLN 650 C 608 GLN 551 CG 51 0.797E+00 -0.929E-02 -0.376E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7915 GLN 650 C 608 GLN 551 CD 52 0.661E+00 0.441E+00 -0.101E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7916 GLN 650 C 608 GLN 551 OE1 53 0.640E+00 -0.443E+00 -0.129E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7917 GLN 650 C 608 GLN 551 NE2 54 0.586E+00 -0.752E+00 -0.254E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7918 GLN 650 C 608 ASN 554 CA 82 0.103E+01 0.140E-01 -0.834E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7919 GLN 650 C 608 ASN 554 C 83 0.104E+01 0.187E+00 -0.674E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7920 GLN 650 C 608 ASN 554 CB 85 0.883E+00 -0.367E-01 -0.205E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7921 GLN 650 C 608 ASN 554 CG 86 0.896E+00 0.223E+00 -0.166E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7922 GLN 650 C 608 ASN 554 OD1 87 0.974E+00 -0.177E+00 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7923 GLN 650 C 608 ASN 554 ND2 88 0.856E+00 -0.322E+00 -0.269E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7924 GLN 650 C 608 LEU 555 CG 97 0.101E+01 0.613E-01 -0.937E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7925 GLN 650 C 608 LEU 555 CD2 99 0.912E+00 -0.456E-01 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7926 GLN 650 O 609 GLY 547 O 15 0.102E+01 0.215E+00 -0.814E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7927 GLN 650 O 609 GLN 551 N 46 0.104E+01 0.159E+00 -0.865E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7928 GLN 650 O 609 GLN 551 CA 47 0.953E+00 -0.173E-01 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7929 GLN 650 O 609 GLN 551 C 48 0.105E+01 -0.170E+00 -0.676E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7930 GLN 650 O 609 GLN 551 O 49 0.103E+01 0.234E+00 -0.749E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7931 GLN 650 O 609 GLN 551 CB 50 0.888E+00 0.167E-01 -0.208E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7932 GLN 650 O 609 GLN 551 CG 51 0.812E+00 0.121E-01 -0.354E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7933 GLN 650 O 609 GLN 551 CD 52 0.687E+00 -0.552E+00 -0.851E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7934 GLN 650 O 609 GLN 551 OE1 53 0.687E+00 0.520E+00 -0.870E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7935 GLN 650 O 609 GLN 551 NE2 54 0.598E+00 0.969E+00 -0.235E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7936 GLN 650 O 609 ASN 554 CB 85 0.968E+00 0.428E-01 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7937 GLN 650 O 609 ASN 554 CG 86 0.981E+00 -0.261E+00 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7938 GLN 650 O 609 ASN 554 ND2 88 0.929E+00 0.380E+00 -0.171E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7939 GLN 650 O 609 LEU 555 CD2 99 0.965E+00 0.564E-01 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7940 GLN 650 CB 610 GLN 551 CA 47 0.105E+01 -0.850E-03 -0.825E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7941 GLN 650 CB 610 GLN 551 CB 50 0.102E+01 0.768E-03 -0.989E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7942 GLN 650 CB 610 GLN 551 CG 51 0.929E+00 0.550E-03 -0.170E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7943 GLN 650 CB 610 GLN 551 CD 52 0.782E+00 -0.245E-01 -0.423E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7944 GLN 650 CB 610 GLN 551 OE1 53 0.750E+00 0.249E-01 -0.567E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7945 GLN 650 CB 610 GLN 551 NE2 54 0.702E+00 0.396E-01 -0.988E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7946 GLN 650 CB 610 ASN 554 CB 85 0.936E+00 0.256E-02 -0.163E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7947 GLN 650 CB 610 ASN 554 CG 86 0.975E+00 -0.149E-01 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7948 GLN 650 CB 610 ASN 554 OD1 87 0.104E+01 0.122E-01 -0.785E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7949 GLN 650 CB 610 ASN 554 ND2 88 0.967E+00 0.202E-01 -0.146E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7950 GLN 650 CB 610 LEU 555 CG 97 0.103E+01 -0.451E-02 -0.903E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7951 GLN 650 CB 610 LEU 555 CD2 99 0.912E+00 0.348E-02 -0.190E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7952 GLN 650 CG 611 GLN 551 CG 51 0.101E+01 0.305E-03 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7953 GLN 650 CG 611 GLN 551 CD 52 0.862E+00 -0.130E-01 -0.237E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7954 GLN 650 CG 611 GLN 551 OE1 53 0.841E+00 0.127E-01 -0.287E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7955 GLN 650 CG 611 GLN 551 NE2 54 0.770E+00 0.208E-01 -0.572E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7956 GLN 650 CG 611 ASN 554 CB 85 0.103E+01 0.138E-02 -0.894E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7957 GLN 650 CG 611 LEU 555 CD2 99 0.940E+00 0.208E-02 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7958 GLN 650 CD 612 GLN 551 CD 52 0.992E+00 0.347E+00 -0.902E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7959 GLN 650 CD 612 GLN 551 OE1 53 0.962E+00 -0.342E+00 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7960 GLN 650 CD 612 GLN 551 NE2 54 0.908E+00 -0.526E+00 -0.189E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7961 GLN 650 CD 612 LEU 555 CD2 99 0.103E+01 -0.604E-01 -0.807E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7962 GLN 650 OE1 613 GLN 551 OE1 53 0.104E+01 0.286E+00 -0.722E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7963 GLN 650 OE1 613 GLN 551 NE2 54 0.997E+00 0.428E+00 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7964 GLN 650 NE2 614 GLN 551 CD 52 0.103E+01 -0.431E+00 -0.862E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7965 GLN 650 NE2 614 GLN 551 OE1 53 0.100E+01 0.424E+00 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7966 GLN 650 NE2 614 GLN 551 NE2 54 0.952E+00 0.645E+00 -0.174E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7967 GLN 650 NE2 614 LEU 555 CD2 99 0.102E+01 0.815E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7968 ASN 651 N 618 GLY 547 O 15 0.990E+00 0.171E+00 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7969 ASN 651 N 618 GLN 550 C 36 0.104E+01 -0.131E+00 -0.844E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7970 ASN 651 N 618 GLN 550 O 37 0.104E+01 0.177E+00 -0.887E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7971 ASN 651 N 618 GLN 550 NE2 42 0.970E+00 0.305E+00 -0.156E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7972 ASN 651 N 618 GLN 551 N 46 0.976E+00 0.133E+00 -0.150E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7973 ASN 651 N 618 GLN 551 CA 47 0.899E+00 -0.144E-01 -0.227E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7974 ASN 651 N 618 GLN 551 C 48 0.997E+00 -0.139E+00 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7975 ASN 651 N 618 GLN 551 O 49 0.974E+00 0.194E+00 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7976 ASN 651 N 618 GLN 551 CB 50 0.869E+00 0.132E-01 -0.277E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7977 ASN 651 N 618 GLN 551 CG 51 0.820E+00 0.908E-02 -0.393E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7978 ASN 651 N 618 GLN 551 CD 52 0.686E+00 -0.422E+00 -0.101E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7979 ASN 651 N 618 GLN 551 OE1 53 0.645E+00 0.448E+00 -0.150E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7980 ASN 651 N 618 GLN 551 NE2 54 0.633E+00 0.655E+00 -0.198E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7981 ASN 651 N 618 ASN 554 CA 82 0.989E+00 -0.151E-01 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7982 ASN 651 N 618 ASN 554 C 83 0.102E+01 -0.198E+00 -0.929E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7983 ASN 651 N 618 ASN 554 CB 85 0.842E+00 0.408E-01 -0.334E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7984 ASN 651 N 618 ASN 554 CG 86 0.837E+00 -0.256E+00 -0.308E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7985 ASN 651 N 618 ASN 554 OD1 87 0.903E+00 0.204E+00 -0.203E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7986 ASN 651 N 618 ASN 554 ND2 88 0.795E+00 0.375E+00 -0.514E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7987 ASN 651 N 618 LEU 555 CG 97 0.104E+01 -0.602E-01 -0.962E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7988 ASN 651 N 618 LEU 555 CD2 99 0.951E+00 0.439E-01 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7989 ASN 651 CA 619 GLY 547 O 15 0.977E+00 -0.182E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7990 ASN 651 CA 619 GLN 550 NE2 42 0.953E+00 -0.328E-01 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7991 ASN 651 CA 619 GLN 551 N 46 0.994E+00 -0.135E-01 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7992 ASN 651 CA 619 GLN 551 CA 47 0.936E+00 0.142E-02 -0.163E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7993 ASN 651 CA 619 GLN 551 C 48 0.105E+01 0.135E-01 -0.728E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7994 ASN 651 CA 619 GLN 551 O 49 0.104E+01 -0.184E-01 -0.796E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7995 ASN 651 CA 619 GLN 551 CB 50 0.903E+00 -0.130E-02 -0.202E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7996 ASN 651 CA 619 GLN 551 CG 51 0.872E+00 -0.856E-03 -0.249E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7997 ASN 651 CA 619 GLN 551 CD 52 0.751E+00 0.371E-01 -0.536E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7998 ASN 651 CA 619 GLN 551 OE1 53 0.715E+00 -0.383E-01 -0.758E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
7999 ASN 651 CA 619 GLN 551 NE2 54 0.707E+00 -0.549E-01 -0.946E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8000 ASN 651 CA 619 ASN 554 CB 85 0.911E+00 -0.375E-02 -0.191E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8001 ASN 651 CA 619 ASN 554 CG 86 0.884E+00 0.245E-01 -0.203E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8002 ASN 651 CA 619 ASN 554 OD1 87 0.945E+00 -0.199E-01 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8003 ASN 651 CA 619 ASN 554 ND2 88 0.826E+00 -0.366E-01 -0.374E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8004 ASN 651 C 620 GLY 547 CA 13 0.920E+00 -0.694E-01 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8005 ASN 651 C 620 GLY 547 C 14 0.916E+00 0.315E+00 -0.146E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8006 ASN 651 C 620 GLY 547 O 15 0.843E+00 -0.316E+00 -0.251E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8007 ASN 651 C 620 ILE 548 N 17 0.102E+01 -0.208E+00 -0.942E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8008 ASN 651 C 620 GLN 550 CA 35 0.103E+01 0.168E-01 -0.809E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8009 ASN 651 C 620 GLN 550 C 36 0.954E+00 0.213E+00 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8010 ASN 651 C 620 GLN 550 O 37 0.977E+00 -0.277E+00 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8011 ASN 651 C 620 GLN 550 CB 38 0.944E+00 -0.166E-01 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8012 ASN 651 C 620 GLN 550 CG 39 0.971E+00 -0.992E-02 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8013 ASN 651 C 620 GLN 550 CD 40 0.973E+00 0.330E+00 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8014 ASN 651 C 620 GLN 550 NE2 42 0.872E+00 -0.519E+00 -0.241E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8015 ASN 651 C 620 GLN 551 N 46 0.887E+00 -0.221E+00 -0.217E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8016 ASN 651 C 620 GLN 551 CA 47 0.839E+00 0.232E-01 -0.278E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8017 ASN 651 C 620 GLN 551 C 48 0.964E+00 0.210E+00 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8018 ASN 651 C 620 GLN 551 O 49 0.972E+00 -0.280E+00 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8019 ASN 651 C 620 GLN 551 CB 50 0.796E+00 -0.220E-01 -0.381E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8020 ASN 651 C 620 GLN 551 CG 51 0.777E+00 -0.143E-01 -0.439E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8021 ASN 651 C 620 GLN 551 CD 52 0.672E+00 0.629E+00 -0.919E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8022 ASN 651 C 620 GLN 551 OE1 53 0.646E+00 -0.640E+00 -0.122E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8023 ASN 651 C 620 GLN 551 NE2 54 0.637E+00 -0.927E+00 -0.156E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8024 ASN 651 C 620 ASN 554 CA 82 0.103E+01 0.205E-01 -0.827E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8025 ASN 651 C 620 ASN 554 CB 85 0.875E+00 -0.549E-01 -0.216E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8026 ASN 651 C 620 ASN 554 CG 86 0.839E+00 0.366E+00 -0.246E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8027 ASN 651 C 620 ASN 554 OD1 87 0.908E+00 -0.290E+00 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8028 ASN 651 C 620 ASN 554 ND2 88 0.762E+00 -0.579E+00 -0.537E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8029 ASN 651 C 620 LEU 555 CD2 99 0.103E+01 -0.558E-01 -0.808E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8030 ASN 651 O 621 GLY 547 N 12 0.104E+01 0.142E+00 -0.871E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8031 ASN 651 O 621 GLY 547 CA 13 0.901E+00 0.610E-01 -0.190E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8032 ASN 651 O 621 GLY 547 C 14 0.907E+00 -0.272E+00 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8033 ASN 651 O 621 GLY 547 O 15 0.848E+00 0.266E+00 -0.246E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8034 ASN 651 O 621 ILE 548 N 17 0.101E+01 0.180E+00 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8035 ASN 651 O 621 GLN 550 C 36 0.100E+01 -0.168E+00 -0.890E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8036 ASN 651 O 621 GLN 550 O 37 0.104E+01 0.215E+00 -0.731E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8037 ASN 651 O 621 GLN 550 CB 38 0.973E+00 0.134E-01 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8038 ASN 651 O 621 GLN 550 CG 39 0.100E+01 0.803E-02 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8039 ASN 651 O 621 GLN 550 CD 40 0.102E+01 -0.261E+00 -0.793E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8040 ASN 651 O 621 GLN 550 NE2 42 0.929E+00 0.398E+00 -0.170E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8041 ASN 651 O 621 GLN 551 N 46 0.929E+00 0.174E+00 -0.171E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8042 ASN 651 O 621 GLN 551 CA 47 0.889E+00 -0.179E-01 -0.206E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8043 ASN 651 O 621 GLN 551 C 48 0.102E+01 -0.164E+00 -0.799E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8044 ASN 651 O 621 GLN 551 O 49 0.104E+01 0.215E+00 -0.725E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8045 ASN 651 O 621 GLN 551 CB 50 0.830E+00 0.173E-01 -0.311E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8046 ASN 651 O 621 GLN 551 CG 51 0.813E+00 0.112E-01 -0.350E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8047 ASN 651 O 621 GLN 551 CD 52 0.723E+00 -0.464E+00 -0.626E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8048 ASN 651 O 621 GLN 551 OE1 53 0.714E+00 0.446E+00 -0.686E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8049 ASN 651 O 621 GLN 551 NE2 54 0.682E+00 0.686E+00 -0.108E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8050 ASN 651 O 621 ASN 554 CB 85 0.970E+00 0.397E-01 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8051 ASN 651 O 621 ASN 554 CG 86 0.931E+00 -0.262E+00 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8052 ASN 651 O 621 ASN 554 OD1 87 0.100E+01 0.211E+00 -0.901E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8053 ASN 651 O 621 ASN 554 ND2 88 0.844E+00 0.412E+00 -0.304E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8054 ASN 651 CB 622 GLY 547 O 15 0.102E+01 0.357E-01 -0.902E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8055 ASN 651 CB 622 GLN 550 CD 40 0.103E+01 -0.463E-01 -0.818E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8056 ASN 651 CB 622 GLN 550 NE2 42 0.911E+00 0.736E-01 -0.209E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8057 ASN 651 CB 622 GLN 551 N 46 0.103E+01 0.270E-01 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8058 ASN 651 CB 622 GLN 551 CA 47 0.979E+00 -0.276E-02 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8059 ASN 651 CB 622 GLN 551 CB 50 0.967E+00 0.243E-02 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8060 ASN 651 CB 622 GLN 551 CG 51 0.955E+00 0.155E-02 -0.144E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8061 ASN 651 CB 622 GLN 551 CD 52 0.836E+00 -0.641E-01 -0.283E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8062 ASN 651 CB 622 GLN 551 OE1 53 0.782E+00 0.678E-01 -0.444E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8063 ASN 651 CB 622 GLN 551 NE2 54 0.811E+00 0.894E-01 -0.420E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8064 ASN 651 CB 622 ASN 554 CB 85 0.916E+00 0.777E-02 -0.186E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8065 ASN 651 CB 622 ASN 554 CG 86 0.870E+00 -0.524E-01 -0.223E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8066 ASN 651 CB 622 ASN 554 OD1 87 0.913E+00 0.438E-01 -0.176E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8067 ASN 651 CB 622 ASN 554 ND2 88 0.819E+00 0.778E-01 -0.396E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8068 ASN 651 CG 623 GLN 550 NE2 42 0.103E+01 -0.382E+00 -0.908E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8069 ASN 651 CG 623 GLN 551 CD 52 0.944E+00 0.327E+00 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8070 ASN 651 CG 623 GLN 551 OE1 53 0.885E+00 -0.340E+00 -0.187E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8071 ASN 651 CG 623 GLN 551 NE2 54 0.910E+00 -0.458E+00 -0.186E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8072 ASN 651 CG 623 ASN 554 CB 85 0.997E+00 -0.424E-01 -0.992E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8073 ASN 651 CG 623 ASN 554 CG 86 0.959E+00 0.279E+00 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8074 ASN 651 CG 623 ASN 554 OD1 87 0.993E+00 -0.239E+00 -0.939E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8075 ASN 651 CG 623 ASN 554 ND2 88 0.924E+00 -0.396E+00 -0.171E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8076 ASN 651 OD1 624 GLN 551 CD 52 0.100E+01 -0.271E+00 -0.900E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8077 ASN 651 OD1 624 GLN 551 OE1 53 0.952E+00 0.274E+00 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8078 ASN 651 OD1 624 GLN 551 NE2 54 0.952E+00 0.385E+00 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8079 ASN 651 OD1 624 ASN 554 ND2 88 0.103E+01 0.304E+00 -0.932E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8080 ASN 651 ND2 625 GLN 550 NE2 42 0.101E+01 0.524E+00 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8081 ASN 651 ND2 625 GLN 551 CD 52 0.989E+00 -0.409E+00 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8082 ASN 651 ND2 625 GLN 551 OE1 53 0.916E+00 0.432E+00 -0.186E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8083 ASN 651 ND2 625 GLN 551 NE2 54 0.967E+00 0.559E+00 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8084 ASN 651 ND2 625 ASN 554 CB 85 0.972E+00 0.589E-01 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8085 ASN 651 ND2 625 ASN 554 CG 86 0.931E+00 -0.391E+00 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8086 ASN 651 ND2 625 ASN 554 OD1 87 0.951E+00 0.342E+00 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8087 ASN 651 ND2 625 ASN 554 ND2 88 0.911E+00 0.542E+00 -0.227E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8088 GLN 652 N 629 SER 546 O 7 0.104E+01 0.163E+00 -0.867E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8089 GLN 652 N 629 GLY 547 N 12 0.974E+00 0.116E+00 -0.152E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8090 GLN 652 N 629 GLY 547 CA 13 0.830E+00 0.516E-01 -0.365E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8091 GLN 652 N 629 GLY 547 C 14 0.816E+00 -0.239E+00 -0.358E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8092 GLN 652 N 629 GLY 547 O 15 0.734E+00 0.254E+00 -0.700E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8093 GLN 652 N 629 ILE 548 N 17 0.923E+00 0.152E+00 -0.211E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8094 GLN 652 N 629 ILE 548 CA 18 0.971E+00 0.317E-01 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8095 GLN 652 N 629 ILE 548 C 19 0.102E+01 -0.164E+00 -0.925E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8096 GLN 652 N 629 ILE 548 O 20 0.101E+01 0.182E+00 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8097 GLN 652 N 629 GLN 550 N 34 0.991E+00 0.117E+00 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8098 GLN 652 N 629 GLN 550 CA 35 0.905E+00 -0.128E-01 -0.217E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8099 GLN 652 N 629 GLN 550 C 36 0.823E+00 -0.170E+00 -0.339E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8100 GLN 652 N 629 GLN 550 O 37 0.844E+00 0.220E+00 -0.303E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8101 GLN 652 N 629 GLN 550 CB 38 0.825E+00 0.129E-01 -0.379E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8102 GLN 652 N 629 GLN 550 CG 39 0.857E+00 0.758E-02 -0.301E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8103 GLN 652 N 629 GLN 550 CD 40 0.855E+00 -0.254E+00 -0.271E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8104 GLN 652 N 629 GLN 550 OE1 41 0.964E+00 0.197E+00 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8105 GLN 652 N 629 GLN 550 NE2 42 0.755E+00 0.418E+00 -0.700E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8106 GLN 652 N 629 GLN 551 N 46 0.759E+00 0.181E+00 -0.675E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8107 GLN 652 N 629 GLN 551 CA 47 0.711E+00 -0.196E-01 -0.919E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8108 GLN 652 N 629 GLN 551 C 48 0.836E+00 -0.166E+00 -0.310E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8109 GLN 652 N 629 GLN 551 O 49 0.845E+00 0.219E+00 -0.301E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8110 GLN 652 N 629 GLN 551 CB 50 0.677E+00 0.186E-01 -0.122E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8111 GLN 652 N 629 GLN 551 CG 51 0.668E+00 0.120E-01 -0.132E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8112 GLN 652 N 629 GLN 551 CD 52 0.566E+00 -0.567E+00 -0.310E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8113 GLN 652 N 629 GLN 551 OE1 53 0.530E+00 0.618E+00 -0.477E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8114 GLN 652 N 629 GLN 551 NE2 54 0.550E+00 0.799E+00 -0.451E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8115 GLN 652 N 629 GLN 552 N 58 0.951E+00 0.124E+00 -0.175E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8116 GLN 652 N 629 ASN 554 N 81 0.955E+00 0.137E+00 -0.171E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8117 GLN 652 N 629 ASN 554 CA 82 0.902E+00 -0.157E-01 -0.222E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8118 GLN 652 N 629 ASN 554 C 83 0.965E+00 -0.194E+00 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8119 GLN 652 N 629 ASN 554 O 84 0.103E+01 0.150E+00 -0.943E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8120 GLN 652 N 629 ASN 554 CB 85 0.749E+00 0.451E-01 -0.670E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8121 GLN 652 N 629 ASN 554 CG 86 0.712E+00 -0.309E+00 -0.807E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8122 GLN 652 N 629 ASN 554 OD1 87 0.785E+00 0.232E+00 -0.468E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8123 GLN 652 N 629 ASN 554 ND2 88 0.631E+00 0.525E+00 -0.201E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8124 GLN 652 N 629 LEU 555 N 92 0.988E+00 0.108E+00 -0.140E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8125 GLN 652 N 629 LEU 555 CG 97 0.978E+00 -0.590E-01 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8126 GLN 652 N 629 LEU 555 CD1 98 0.105E+01 0.343E-01 -0.915E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8127 GLN 652 N 629 LEU 555 CD2 99 0.932E+00 0.407E-01 -0.183E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8128 GLN 652 N 629 ARG 557 NH2 120 0.103E+01 0.194E+00 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8129 GLN 652 CA 630 SER 546 C 6 0.922E+00 0.155E-01 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8130 GLN 652 CA 630 SER 546 O 7 0.909E+00 -0.191E-01 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8131 GLN 652 CA 630 SER 546 OG 9 0.103E+01 -0.175E-01 -0.956E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8132 GLN 652 CA 630 GLY 547 N 12 0.834E+00 -0.142E-01 -0.355E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8133 GLN 652 CA 630 GLY 547 CA 13 0.689E+00 -0.694E-02 -0.101E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8134 GLN 652 CA 630 GLY 547 C 14 0.676E+00 0.325E-01 -0.100E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8135 GLN 652 CA 630 GLY 547 O 15 0.600E+00 -0.364E-01 -0.214E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8136 GLN 652 CA 630 ILE 548 N 17 0.782E+00 -0.191E-01 -0.520E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8137 GLN 652 CA 630 ILE 548 CA 18 0.836E+00 -0.385E-02 -0.319E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8138 GLN 652 CA 630 ILE 548 C 19 0.895E+00 0.192E-01 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8139 GLN 652 CA 630 ILE 548 O 20 0.891E+00 -0.211E-01 -0.203E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8140 GLN 652 CA 630 ILE 548 CB 21 0.961E+00 0.187E-02 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8141 GLN 652 CA 630 ILE 548 CG1 22 0.940E+00 0.687E-03 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8142 GLN 652 CA 630 ILE 548 CG2 23 0.104E+01 -0.348E-02 -0.851E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8143 GLN 652 CA 630 VAL 549 N 26 0.976E+00 -0.133E-01 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8144 GLN 652 CA 630 VAL 549 C 28 0.972E+00 0.133E-01 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8145 GLN 652 CA 630 VAL 549 O 29 0.102E+01 -0.113E-01 -0.926E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8146 GLN 652 CA 630 GLN 550 N 34 0.876E+00 -0.135E-01 -0.264E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8147 GLN 652 CA 630 GLN 550 CA 35 0.801E+00 0.150E-02 -0.412E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8148 GLN 652 CA 630 GLN 550 C 36 0.729E+00 0.202E-01 -0.641E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8149 GLN 652 CA 630 GLN 550 O 37 0.767E+00 -0.248E-01 -0.496E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8150 GLN 652 CA 630 GLN 550 CB 38 0.716E+00 -0.160E-02 -0.807E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8151 GLN 652 CA 630 GLN 550 CG 39 0.760E+00 -0.893E-03 -0.564E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8152 GLN 652 CA 630 GLN 550 CD 40 0.778E+00 0.286E-01 -0.436E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8153 GLN 652 CA 630 GLN 550 OE1 41 0.892E+00 -0.213E-01 -0.202E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8154 GLN 652 CA 630 GLN 550 NE2 42 0.693E+00 -0.470E-01 -0.107E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8155 GLN 652 CA 630 GLN 551 N 46 0.657E+00 -0.229E-01 -0.147E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8156 GLN 652 CA 630 GLN 551 CA 47 0.622E+00 0.245E-02 -0.185E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8157 GLN 652 CA 630 GLN 551 C 48 0.758E+00 0.188E-01 -0.507E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8158 GLN 652 CA 630 GLN 551 O 49 0.787E+00 -0.237E-01 -0.428E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8159 GLN 652 CA 630 GLN 551 CB 50 0.576E+00 -0.249E-02 -0.287E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8160 GLN 652 CA 630 GLN 551 CG 51 0.586E+00 -0.150E-02 -0.261E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8161 GLN 652 CA 630 GLN 551 CD 52 0.510E+00 0.689E-01 -0.507E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8162 GLN 652 CA 630 GLN 551 OE1 53 0.489E+00 -0.715E-01 -0.691E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8163 GLN 652 CA 630 GLN 551 NE2 54 0.510E+00 -0.907E-01 -0.626E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8164 GLN 652 CA 630 GLN 552 N 58 0.863E+00 -0.139E-01 -0.288E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8165 GLN 652 CA 630 GLN 552 CA 59 0.100E+01 0.105E-02 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8166 GLN 652 CA 630 ASN 553 N 70 0.103E+01 -0.118E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8167 GLN 652 CA 630 ASN 553 C 72 0.104E+01 0.165E-01 -0.755E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8168 GLN 652 CA 630 ASN 554 N 81 0.915E+00 -0.140E-01 -0.203E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8169 GLN 652 CA 630 ASN 554 CA 82 0.884E+00 0.155E-02 -0.230E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8170 GLN 652 CA 630 ASN 554 C 83 0.954E+00 0.188E-01 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8171 GLN 652 CA 630 ASN 554 O 84 0.103E+01 -0.143E-01 -0.852E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8172 GLN 652 CA 630 ASN 554 CB 85 0.735E+00 -0.447E-02 -0.689E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8173 GLN 652 CA 630 ASN 554 CG 86 0.691E+00 0.313E-01 -0.883E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8174 GLN 652 CA 630 ASN 554 OD1 87 0.772E+00 -0.229E-01 -0.479E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8175 GLN 652 CA 630 ASN 554 ND2 88 0.591E+00 -0.578E-01 -0.273E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8176 GLN 652 CA 630 LEU 555 N 92 0.964E+00 -0.107E-01 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8177 GLN 652 CA 630 LEU 555 CG 97 0.944E+00 0.596E-02 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8178 GLN 652 CA 630 LEU 555 CD1 98 0.998E+00 -0.351E-02 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8179 GLN 652 CA 630 LEU 555 CD2 99 0.918E+00 -0.399E-02 -0.183E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8180 GLN 652 CA 630 ARG 557 NH2 120 0.103E+01 -0.187E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8181 GLN 652 C 631 SER 546 C 6 0.939E+00 0.171E+00 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8182 GLN 652 C 631 SER 546 O 7 0.935E+00 -0.207E+00 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8183 GLN 652 C 631 GLY 547 N 12 0.840E+00 -0.159E+00 -0.300E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8184 GLN 652 C 631 GLY 547 CA 13 0.696E+00 -0.770E-01 -0.841E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8185 GLN 652 C 631 GLY 547 C 14 0.667E+00 0.377E+00 -0.960E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8186 GLN 652 C 631 GLY 547 O 15 0.599E+00 -0.413E+00 -0.191E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8187 GLN 652 C 631 ILE 548 N 17 0.755E+00 -0.231E+00 -0.569E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8188 GLN 652 C 631 ILE 548 CA 18 0.797E+00 -0.474E-01 -0.379E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8189 GLN 652 C 631 ILE 548 C 19 0.873E+00 0.227E+00 -0.194E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8190 GLN 652 C 631 ILE 548 O 20 0.869E+00 -0.249E+00 -0.210E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8191 GLN 652 C 631 ILE 548 CB 21 0.906E+00 0.232E-01 -0.175E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8192 GLN 652 C 631 ILE 548 CG1 22 0.868E+00 0.883E-02 -0.226E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8193 GLN 652 C 631 ILE 548 CG2 23 0.982E+00 -0.430E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8194 GLN 652 C 631 ILE 548 CD1 24 0.100E+01 -0.324E-01 -0.960E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8195 GLN 652 C 631 VAL 549 N 26 0.967E+00 -0.152E+00 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8196 GLN 652 C 631 VAL 549 C 28 0.994E+00 0.145E+00 -0.890E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8197 GLN 652 C 631 VAL 549 O 29 0.104E+01 -0.123E+00 -0.698E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8198 GLN 652 C 631 GLN 550 N 34 0.908E+00 -0.144E+00 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8199 GLN 652 C 631 GLN 550 CA 35 0.854E+00 0.153E-01 -0.249E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8200 GLN 652 C 631 GLN 550 C 36 0.776E+00 0.204E+00 -0.391E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8201 GLN 652 C 631 GLN 550 O 37 0.824E+00 -0.248E+00 -0.287E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8202 GLN 652 C 631 GLN 550 CB 38 0.778E+00 -0.155E-01 -0.434E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8203 GLN 652 C 631 GLN 550 CG 39 0.845E+00 -0.840E-02 -0.265E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8204 GLN 652 C 631 GLN 550 CD 40 0.877E+00 0.264E+00 -0.189E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8205 GLN 652 C 631 GLN 550 OE1 41 0.989E+00 -0.205E+00 -0.960E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8206 GLN 652 C 631 GLN 550 NE2 42 0.805E+00 -0.404E+00 -0.389E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8207 GLN 652 C 631 GLN 551 N 46 0.682E+00 -0.240E+00 -0.104E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8208 GLN 652 C 631 GLN 551 CA 47 0.633E+00 0.267E-01 -0.148E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8209 GLN 652 C 631 GLN 551 C 48 0.764E+00 0.210E+00 -0.431E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8210 GLN 652 C 631 GLN 551 O 49 0.796E+00 -0.263E+00 -0.353E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8211 GLN 652 C 631 GLN 551 CB 50 0.553E+00 -0.310E-01 -0.323E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8212 GLN 652 C 631 GLN 551 CG 51 0.535E+00 -0.208E-01 -0.387E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8213 GLN 652 C 631 GLN 551 CD 52 0.467E+00 0.962E+00 -0.710E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8214 GLN 652 C 631 GLN 551 OE1 53 0.482E+00 -0.836E+00 -0.660E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8215 GLN 652 C 631 GLN 551 NE2 54 0.440E+00 -0.147E+01 -0.119E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8216 GLN 652 C 631 GLN 552 N 58 0.862E+00 -0.157E+00 -0.258E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8217 GLN 652 C 631 GLN 552 CA 59 0.997E+00 0.120E-01 -0.987E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8218 GLN 652 C 631 ASN 554 N 81 0.968E+00 -0.145E+00 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8219 GLN 652 C 631 ASN 554 CA 82 0.942E+00 0.159E-01 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8220 GLN 652 C 631 ASN 554 C 83 0.996E+00 0.200E+00 -0.883E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8221 GLN 652 C 631 ASN 554 CB 85 0.798E+00 -0.436E-01 -0.375E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8222 GLN 652 C 631 ASN 554 CG 86 0.775E+00 0.285E+00 -0.394E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8223 GLN 652 C 631 ASN 554 OD1 87 0.870E+00 -0.211E+00 -0.208E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8224 GLN 652 C 631 ASN 554 ND2 88 0.676E+00 -0.495E+00 -0.110E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8225 GLN 652 C 631 LEU 555 N 92 0.987E+00 -0.117E+00 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8226 GLN 652 C 631 LEU 555 CB 96 0.105E+01 -0.433E-01 -0.733E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8227 GLN 652 C 631 LEU 555 CG 97 0.918E+00 0.704E-01 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8228 GLN 652 C 631 LEU 555 CD1 98 0.953E+00 -0.426E-01 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8229 GLN 652 C 631 LEU 555 CD2 99 0.891E+00 -0.474E-01 -0.194E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8230 GLN 652 O 632 SER 546 N 4 0.103E+01 0.226E+00 -0.934E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8231 GLN 652 O 632 SER 546 CA 5 0.101E+01 -0.505E-01 -0.956E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8232 GLN 652 O 632 SER 546 C 6 0.877E+00 -0.257E+00 -0.198E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8233 GLN 652 O 632 SER 546 O 7 0.887E+00 0.304E+00 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8234 GLN 652 O 632 SER 546 OG 9 0.975E+00 0.288E+00 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8235 GLN 652 O 632 SER 546 HG 11 0.993E+00 -0.196E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8236 GLN 652 O 632 GLY 547 N 12 0.769E+00 0.250E+00 -0.530E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8237 GLN 652 O 632 GLY 547 CA 13 0.630E+00 0.127E+00 -0.161E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8238 GLN 652 O 632 GLY 547 C 14 0.610E+00 -0.612E+00 -0.172E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8239 GLN 652 O 632 GLY 547 O 15 0.561E+00 0.643E+00 -0.288E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8240 GLN 652 O 632 ILE 548 N 17 0.690E+00 0.369E+00 -0.101E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8241 GLN 652 O 632 ILE 548 CA 18 0.741E+00 0.728E-01 -0.609E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8242 GLN 652 O 632 ILE 548 C 19 0.834E+00 -0.329E+00 -0.267E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8243 GLN 652 O 632 ILE 548 O 20 0.845E+00 0.351E+00 -0.252E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8244 GLN 652 O 632 ILE 548 CB 21 0.840E+00 -0.355E-01 -0.289E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8245 GLN 652 O 632 ILE 548 CG1 22 0.788E+00 -0.141E-01 -0.424E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8246 GLN 652 O 632 ILE 548 CG2 23 0.926E+00 0.635E-01 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8247 GLN 652 O 632 ILE 548 CD1 24 0.915E+00 0.503E-01 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8248 GLN 652 O 632 VAL 549 N 26 0.926E+00 0.220E+00 -0.174E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8249 GLN 652 O 632 VAL 549 CA 27 0.103E+01 0.217E-01 -0.864E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8250 GLN 652 O 632 VAL 549 C 28 0.980E+00 -0.200E+00 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8251 GLN 652 O 632 VAL 549 O 29 0.104E+01 0.166E+00 -0.718E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8252 GLN 652 O 632 GLN 550 N 34 0.892E+00 0.201E+00 -0.218E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8253 GLN 652 O 632 GLN 550 CA 35 0.853E+00 -0.206E-01 -0.263E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8254 GLN 652 O 632 GLN 550 C 36 0.791E+00 -0.266E+00 -0.367E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8255 GLN 652 O 632 GLN 550 O 37 0.855E+00 0.314E+00 -0.235E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8256 GLN 652 O 632 GLN 550 CB 38 0.770E+00 0.213E-01 -0.486E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8257 GLN 652 O 632 GLN 550 CG 39 0.842E+00 0.114E-01 -0.285E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8258 GLN 652 O 632 GLN 550 CD 40 0.894E+00 -0.345E+00 -0.177E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8259 GLN 652 O 632 GLN 550 OE1 41 0.101E+01 0.269E+00 -0.871E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8260 GLN 652 O 632 GLN 550 NE2 42 0.835E+00 0.510E+00 -0.323E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8261 GLN 652 O 632 GLN 551 N 46 0.691E+00 0.316E+00 -0.998E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8262 GLN 652 O 632 GLN 551 CA 47 0.658E+00 -0.333E-01 -0.124E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8263 GLN 652 O 632 GLN 551 C 48 0.794E+00 -0.264E+00 -0.358E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8264 GLN 652 O 632 GLN 551 O 49 0.842E+00 0.322E+00 -0.256E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8265 GLN 652 O 632 GLN 551 CB 50 0.563E+00 0.402E-01 -0.310E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8266 GLN 652 O 632 GLN 551 CG 51 0.558E+00 0.256E-01 -0.327E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8267 GLN 652 O 632 GLN 551 CD 52 0.520E+00 -0.100E+01 -0.434E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8268 GLN 652 O 632 GLN 551 OE1 53 0.552E+00 0.821E+00 -0.315E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8269 GLN 652 O 632 GLN 551 NE2 54 0.498E+00 0.147E+01 -0.679E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8270 GLN 652 O 632 GLN 552 N 58 0.879E+00 0.206E+00 -0.239E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8271 GLN 652 O 632 GLN 552 CA 59 0.102E+01 -0.157E-01 -0.918E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8272 GLN 652 O 632 ASN 554 N 81 0.103E+01 0.180E+00 -0.939E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8273 GLN 652 O 632 ASN 554 CA 82 0.101E+01 -0.191E-01 -0.930E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8274 GLN 652 O 632 ASN 554 CB 85 0.876E+00 0.502E-01 -0.225E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8275 GLN 652 O 632 ASN 554 CG 86 0.848E+00 -0.329E+00 -0.243E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8276 GLN 652 O 632 ASN 554 OD1 87 0.942E+00 0.250E+00 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8277 GLN 652 O 632 ASN 554 ND2 88 0.738E+00 0.563E+00 -0.676E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8278 GLN 652 O 632 LEU 555 CG 97 0.973E+00 -0.868E-01 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8279 GLN 652 O 632 LEU 555 CD1 98 0.993E+00 0.540E-01 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8280 GLN 652 O 632 LEU 555 CD2 99 0.960E+00 0.568E-01 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8281 GLN 652 CB 633 SER 546 CA 5 0.997E+00 -0.292E-02 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8282 GLN 652 CB 633 SER 546 C 6 0.850E+00 -0.153E-01 -0.257E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8283 GLN 652 CB 633 SER 546 O 7 0.820E+00 0.196E-01 -0.333E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8284 GLN 652 CB 633 SER 546 CB 8 0.103E+01 -0.345E-02 -0.906E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8285 GLN 652 CB 633 SER 546 OG 9 0.984E+00 0.161E-01 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8286 GLN 652 CB 633 SER 546 HG 11 0.103E+01 -0.105E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8287 GLN 652 CB 633 GLY 547 N 12 0.778E+00 0.138E-01 -0.535E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8288 GLN 652 CB 633 GLY 547 CA 13 0.634E+00 0.710E-02 -0.165E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8289 GLN 652 CB 633 GLY 547 C 14 0.605E+00 -0.352E-01 -0.192E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8290 GLN 652 CB 633 GLY 547 O 15 0.512E+00 0.448E-01 -0.532E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8291 GLN 652 CB 633 ILE 548 N 17 0.716E+00 0.195E-01 -0.882E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8292 GLN 652 CB 633 ILE 548 CA 18 0.762E+00 0.393E-02 -0.558E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8293 GLN 652 CB 633 ILE 548 C 19 0.799E+00 -0.201E-01 -0.371E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8294 GLN 652 CB 633 ILE 548 O 20 0.786E+00 0.225E-01 -0.429E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8295 GLN 652 CB 633 ILE 548 CB 21 0.898E+00 -0.180E-02 -0.209E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8296 GLN 652 CB 633 ILE 548 CG1 22 0.900E+00 -0.636E-03 -0.206E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8297 GLN 652 CB 633 ILE 548 CG2 23 0.974E+00 0.333E-02 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8298 GLN 652 CB 633 ILE 548 CD1 24 0.105E+01 0.232E-02 -0.827E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8299 GLN 652 CB 633 VAL 549 N 26 0.877E+00 0.136E-01 -0.262E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8300 GLN 652 CB 633 VAL 549 CA 27 0.939E+00 0.141E-02 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8301 GLN 652 CB 633 VAL 549 C 28 0.848E+00 -0.142E-01 -0.260E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8302 GLN 652 CB 633 VAL 549 O 29 0.883E+00 0.121E-01 -0.214E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8303 GLN 652 CB 633 VAL 549 CB 30 0.105E+01 -0.912E-02 -0.841E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8304 GLN 652 CB 633 GLN 550 N 34 0.755E+00 0.151E-01 -0.640E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8305 GLN 652 CB 633 GLN 550 CA 35 0.672E+00 -0.181E-02 -0.117E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8306 GLN 652 CB 633 GLN 550 C 36 0.591E+00 -0.268E-01 -0.220E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8307 GLN 652 CB 633 GLN 550 O 37 0.622E+00 0.323E-01 -0.172E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8308 GLN 652 CB 633 GLN 550 CB 38 0.599E+00 0.198E-02 -0.230E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8309 GLN 652 CB 633 GLN 550 CG 39 0.650E+00 0.105E-02 -0.143E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8310 GLN 652 CB 633 GLN 550 CD 40 0.656E+00 -0.343E-01 -0.120E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8311 GLN 652 CB 633 GLN 550 OE1 41 0.765E+00 0.240E-01 -0.506E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8312 GLN 652 CB 633 GLN 550 NE2 42 0.571E+00 0.607E-01 -0.331E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8313 GLN 652 CB 633 GLN 551 N 46 0.525E+00 0.321E-01 -0.532E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8314 GLN 652 CB 633 GLN 551 CA 47 0.491E+00 -0.360E-02 -0.695E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8315 GLN 652 CB 633 GLN 551 C 48 0.628E+00 -0.235E-01 -0.155E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8316 GLN 652 CB 633 GLN 551 O 49 0.656E+00 0.290E-01 -0.127E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8317 GLN 652 CB 633 GLN 551 CB 50 0.470E+00 0.346E-02 -0.870E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8318 GLN 652 CB 633 GLN 551 CG 51 0.500E+00 0.187E-02 -0.635E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8319 GLN 652 CB 633 GLN 551 CD 52 0.429E+00 -0.905E-01 -0.117E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8320 GLN 652 CB 633 GLN 551 OE1 53 0.387E+00 0.111E+00 -0.210E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8321 GLN 652 CB 633 GLN 551 NE2 54 0.465E+00 0.980E-01 -0.102E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8322 GLN 652 CB 633 GLN 552 N 58 0.735E+00 0.159E-01 -0.751E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8323 GLN 652 CB 633 GLN 552 CA 59 0.872E+00 -0.113E-02 -0.249E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8324 GLN 652 CB 633 GLN 552 C 60 0.918E+00 -0.118E-01 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8325 GLN 652 CB 633 GLN 552 O 61 0.999E+00 0.139E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8326 GLN 652 CB 633 GLN 552 CB 62 0.977E+00 0.815E-03 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8327 GLN 652 CB 633 GLN 552 CG 63 0.101E+01 0.485E-03 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8328 GLN 652 CB 633 ASN 553 N 70 0.884E+00 0.128E-01 -0.250E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8329 GLN 652 CB 633 ASN 553 CA 71 0.942E+00 -0.121E-02 -0.156E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8330 GLN 652 CB 633 ASN 553 C 72 0.898E+00 -0.179E-01 -0.185E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8331 GLN 652 CB 633 ASN 553 O 73 0.990E+00 0.131E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8332 GLN 652 CB 633 ASN 553 CB 74 0.937E+00 0.255E-02 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8333 GLN 652 CB 633 ASN 553 CG 75 0.105E+01 -0.134E-01 -0.726E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8334 GLN 652 CB 633 ASN 554 N 81 0.771E+00 0.162E-01 -0.568E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8335 GLN 652 CB 633 ASN 554 CA 82 0.745E+00 -0.180E-02 -0.636E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8336 GLN 652 CB 633 ASN 554 C 83 0.824E+00 -0.207E-01 -0.310E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8337 GLN 652 CB 633 ASN 554 O 84 0.905E+00 0.150E-01 -0.185E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8338 GLN 652 CB 633 ASN 554 CB 85 0.599E+00 0.583E-02 -0.230E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8339 GLN 652 CB 633 ASN 554 CG 86 0.550E+00 -0.437E-01 -0.332E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8340 GLN 652 CB 633 ASN 554 OD1 87 0.635E+00 0.289E-01 -0.153E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8341 GLN 652 CB 633 ASN 554 ND2 88 0.445E+00 0.966E-01 -0.127E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8342 GLN 652 CB 633 LEU 555 N 92 0.836E+00 0.116E-01 -0.349E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8343 GLN 652 CB 633 LEU 555 CA 93 0.936E+00 0.275E-02 -0.163E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8344 GLN 652 CB 633 LEU 555 CB 96 0.946E+00 0.385E-02 -0.152E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8345 GLN 652 CB 633 LEU 555 CG 97 0.840E+00 -0.623E-02 -0.312E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8346 GLN 652 CB 633 LEU 555 CD1 98 0.903E+00 0.354E-02 -0.201E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8347 GLN 652 CB 633 LEU 555 CD2 99 0.826E+00 0.410E-02 -0.343E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8348 GLN 652 CB 633 ARG 557 CZ 118 0.101E+01 -0.137E-01 -0.916E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8349 GLN 652 CB 633 ARG 557 NH2 120 0.897E+00 0.200E-01 -0.230E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8350 GLN 652 CB 633 ARG 557 HE 122 0.102E+01 -0.286E-02 -0.293E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8351 GLN 652 CG 634 SER 546 N 4 0.907E+00 0.966E-02 -0.214E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8352 GLN 652 CG 634 SER 546 CA 5 0.846E+00 -0.236E-02 -0.299E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8353 GLN 652 CG 634 SER 546 C 6 0.698E+00 -0.137E-01 -0.830E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8354 GLN 652 CG 634 SER 546 O 7 0.667E+00 0.180E-01 -0.114E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8355 GLN 652 CG 634 SER 546 CB 8 0.885E+00 -0.273E-02 -0.228E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8356 GLN 652 CG 634 SER 546 OG 9 0.843E+00 0.129E-01 -0.313E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8357 GLN 652 CG 634 SER 546 HG 11 0.892E+00 -0.818E-02 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8358 GLN 652 CG 634 GLY 547 N 12 0.631E+00 0.130E-01 -0.186E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8359 GLN 652 CG 634 GLY 547 CA 13 0.488E+00 0.797E-02 -0.721E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8360 GLN 652 CG 634 GLY 547 C 14 0.459E+00 -0.416E-01 -0.869E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8361 GLN 652 CG 634 GLY 547 O 15 0.367E+00 0.651E-01 -0.241E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8362 GLN 652 CG 634 ILE 548 N 17 0.575E+00 0.191E-01 -0.318E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8363 GLN 652 CG 634 ILE 548 CA 18 0.631E+00 0.354E-02 -0.170E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8364 GLN 652 CG 634 ILE 548 C 19 0.666E+00 -0.177E-01 -0.110E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8365 GLN 652 CG 634 ILE 548 O 20 0.665E+00 0.193E-01 -0.116E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8366 GLN 652 CG 634 ILE 548 CB 21 0.771E+00 -0.146E-02 -0.517E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8367 GLN 652 CG 634 ILE 548 CG1 22 0.784E+00 -0.503E-03 -0.470E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8368 GLN 652 CG 634 ILE 548 CG2 23 0.856E+00 0.255E-02 -0.278E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8369 GLN 652 CG 634 ILE 548 CD1 24 0.934E+00 0.172E-02 -0.165E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8370 GLN 652 CG 634 VAL 549 N 26 0.735E+00 0.116E-01 -0.755E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8371 GLN 652 CG 634 VAL 549 CA 27 0.799E+00 0.115E-02 -0.420E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8372 GLN 652 CG 634 VAL 549 C 28 0.713E+00 -0.122E-01 -0.733E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8373 GLN 652 CG 634 VAL 549 O 29 0.759E+00 0.980E-02 -0.529E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8374 GLN 652 CG 634 VAL 549 CB 30 0.899E+00 -0.715E-02 -0.207E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8375 GLN 652 CG 634 VAL 549 CG1 31 0.981E+00 0.142E-02 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8376 GLN 652 CG 634 VAL 549 CG2 32 0.101E+01 0.137E-02 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8377 GLN 652 CG 634 GLN 550 N 34 0.614E+00 0.142E-01 -0.217E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8378 GLN 652 CG 634 GLN 550 CA 35 0.540E+00 -0.180E-02 -0.414E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8379 GLN 652 CG 634 GLN 550 C 36 0.476E+00 -0.275E-01 -0.727E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8380 GLN 652 CG 634 GLN 550 O 37 0.530E+00 0.287E-01 -0.438E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8381 GLN 652 CG 634 GLN 550 CB 38 0.460E+00 0.228E-02 -0.973E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8382 GLN 652 CG 634 GLN 550 CG 39 0.524E+00 0.104E-02 -0.488E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8383 GLN 652 CG 634 GLN 550 CD 40 0.553E+00 -0.308E-01 -0.321E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8384 GLN 652 CG 634 GLN 550 OE1 41 0.665E+00 0.196E-01 -0.116E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8385 GLN 652 CG 634 GLN 550 NE2 42 0.493E+00 0.533E-01 -0.759E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8386 GLN 652 CG 634 GLN 551 N 46 0.409E+00 0.371E-01 -0.182E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8387 GLN 652 CG 634 GLN 551 CA 47 0.409E+00 -0.356E-02 -0.158E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8388 GLN 652 CG 634 GLN 551 C 48 0.558E+00 -0.190E-01 -0.307E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8389 GLN 652 CG 634 GLN 551 O 49 0.611E+00 0.210E-01 -0.191E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8390 GLN 652 CG 634 GLN 551 CB 50 0.391E+00 0.344E-02 -0.174E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8391 GLN 652 CG 634 GLN 551 CG 51 0.464E+00 0.139E-02 -0.927E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8392 GLN 652 CG 634 GLN 551 CD 52 0.440E+00 -0.531E-01 -0.105E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8393 GLN 652 CG 634 GLN 551 OE1 53 0.410E+00 0.600E-01 -0.168E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8394 GLN 652 CG 634 GLN 551 NE2 54 0.506E+00 0.501E-01 -0.659E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8395 GLN 652 CG 634 GLN 552 N 58 0.648E+00 0.127E-01 -0.159E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8396 GLN 652 CG 634 GLN 552 CA 59 0.791E+00 -0.831E-03 -0.444E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8397 GLN 652 CG 634 GLN 552 C 60 0.844E+00 -0.841E-02 -0.267E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8398 GLN 652 CG 634 GLN 552 O 61 0.938E+00 0.956E-02 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8399 GLN 652 CG 634 GLN 552 CB 62 0.880E+00 0.600E-03 -0.235E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8400 GLN 652 CG 634 GLN 552 CG 63 0.917E+00 0.351E-03 -0.184E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8401 GLN 652 CG 634 GLN 552 CD 64 0.102E+01 -0.996E-02 -0.857E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8402 GLN 652 CG 634 GLN 552 OE1 65 0.104E+01 0.906E-02 -0.782E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8403 GLN 652 CG 634 ASN 553 N 70 0.802E+00 0.943E-02 -0.447E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8404 GLN 652 CG 634 ASN 553 CA 71 0.870E+00 -0.860E-03 -0.252E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8405 GLN 652 CG 634 ASN 553 C 72 0.848E+00 -0.123E-01 -0.261E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8406 GLN 652 CG 634 ASN 553 O 73 0.951E+00 0.868E-02 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8407 GLN 652 CG 634 ASN 553 CB 74 0.854E+00 0.185E-02 -0.281E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8408 GLN 652 CG 634 ASN 553 CG 75 0.975E+00 -0.933E-02 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8409 GLN 652 CG 634 ASN 553 ND2 77 0.101E+01 0.118E-01 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8410 GLN 652 CG 634 ASN 554 N 81 0.729E+00 0.112E-01 -0.792E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8411 GLN 652 CG 634 ASN 554 CA 82 0.733E+00 -0.116E-02 -0.702E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8412 GLN 652 CG 634 ASN 554 C 83 0.824E+00 -0.129E-01 -0.310E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8413 GLN 652 CG 634 ASN 554 O 84 0.919E+00 0.917E-02 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8414 GLN 652 CG 634 ASN 554 CB 85 0.600E+00 0.363E-02 -0.227E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8415 GLN 652 CG 634 ASN 554 CG 86 0.538E+00 -0.287E-01 -0.376E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8416 GLN 652 CG 634 ASN 554 OD1 87 0.623E+00 0.188E-01 -0.171E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8417 GLN 652 CG 634 ASN 554 ND2 88 0.414E+00 0.727E-01 -0.174E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8418 GLN 652 CG 634 LEU 555 N 92 0.826E+00 0.740E-02 -0.374E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8419 GLN 652 CG 634 LEU 555 CA 93 0.935E+00 0.172E-02 -0.164E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8420 GLN 652 CG 634 LEU 555 CB 96 0.935E+00 0.245E-02 -0.164E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8421 GLN 652 CG 634 LEU 555 CG 97 0.834E+00 -0.394E-02 -0.326E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8422 GLN 652 CG 634 LEU 555 CD1 98 0.886E+00 0.228E-02 -0.225E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8423 GLN 652 CG 634 LEU 555 CD2 99 0.848E+00 0.245E-02 -0.293E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8424 GLN 652 CG 634 ARG 557 NE 117 0.104E+01 -0.674E-02 -0.936E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8425 GLN 652 CG 634 ARG 557 CZ 118 0.996E+00 -0.875E-02 -0.994E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8426 GLN 652 CG 634 ARG 557 NH2 120 0.878E+00 0.129E-01 -0.260E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8427 GLN 652 CG 634 ARG 557 HE 122 0.988E+00 -0.188E-02 -0.359E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8428 GLN 652 CD 635 SER 546 N 4 0.842E+00 -0.365E+00 -0.297E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8429 GLN 652 CD 635 SER 546 CA 5 0.772E+00 0.926E-01 -0.457E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8430 GLN 652 CD 635 SER 546 C 6 0.630E+00 0.561E+00 -0.134E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8431 GLN 652 CD 635 SER 546 O 7 0.610E+00 -0.723E+00 -0.171E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8432 GLN 652 CD 635 SER 546 CB 8 0.789E+00 0.111E+00 -0.401E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8433 GLN 652 CD 635 SER 546 OG 9 0.738E+00 -0.545E+00 -0.611E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8434 GLN 652 CD 635 SER 546 HG 11 0.791E+00 0.335E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8435 GLN 652 CD 635 GLY 547 N 12 0.561E+00 -0.558E+00 -0.325E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8436 GLN 652 CD 635 GLY 547 CA 13 0.426E+00 -0.372E+00 -0.120E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8437 GLN 652 CD 635 GLY 547 C 14 0.445E+00 0.150E+01 -0.891E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8438 GLN 652 CD 635 GLY 547 O 15 0.380E+00 -0.198E+01 -0.197E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8439 GLN 652 CD 635 ILE 548 N 17 0.574E+00 -0.641E+00 -0.286E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8440 GLN 652 CD 635 ILE 548 CA 18 0.660E+00 -0.108E+00 -0.116E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8441 GLN 652 CD 635 ILE 548 C 19 0.697E+00 0.540E+00 -0.740E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8442 GLN 652 CD 635 ILE 548 O 20 0.719E+00 -0.555E+00 -0.649E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8443 GLN 652 CD 635 ILE 548 CB 21 0.797E+00 0.460E-01 -0.378E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8444 GLN 652 CD 635 ILE 548 CG1 22 0.807E+00 0.159E-01 -0.349E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8445 GLN 652 CD 635 ILE 548 CG2 23 0.901E+00 -0.784E-01 -0.182E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8446 GLN 652 CD 635 ILE 548 CD1 24 0.952E+00 -0.559E-01 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8447 GLN 652 CD 635 VAL 549 N 26 0.743E+00 -0.378E+00 -0.624E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8448 GLN 652 CD 635 VAL 549 CA 27 0.807E+00 -0.377E-01 -0.351E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8449 GLN 652 CD 635 VAL 549 C 28 0.722E+00 0.397E+00 -0.602E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8450 GLN 652 CD 635 VAL 549 O 29 0.781E+00 -0.311E+00 -0.396E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8451 GLN 652 CD 635 VAL 549 CB 30 0.885E+00 0.245E+00 -0.202E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8452 GLN 652 CD 635 VAL 549 CG1 31 0.966E+00 -0.486E-01 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8453 GLN 652 CD 635 VAL 549 CG2 32 0.996E+00 -0.465E-01 -0.997E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8454 GLN 652 CD 635 GLN 550 N 34 0.607E+00 -0.487E+00 -0.207E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8455 GLN 652 CD 635 GLN 550 CA 35 0.530E+00 0.628E-01 -0.407E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8456 GLN 652 CD 635 GLN 550 C 36 0.508E+00 0.786E+00 -0.458E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8457 GLN 652 CD 635 GLN 550 O 37 0.573E+00 -0.804E+00 -0.247E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8458 GLN 652 CD 635 GLN 550 CB 38 0.415E+00 -0.986E-01 -0.133E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8459 GLN 652 CD 635 GLN 550 CG 39 0.448E+00 -0.507E-01 -0.970E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8460 GLN 652 CD 635 GLN 550 CD 40 0.498E+00 0.131E+01 -0.511E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8461 GLN 652 CD 635 GLN 550 OE1 41 0.617E+00 -0.762E+00 -0.160E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8462 GLN 652 CD 635 GLN 550 NE2 42 0.446E+00 -0.227E+01 -0.112E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8463 GLN 652 CD 635 GLN 551 N 46 0.468E+00 -0.884E+00 -0.882E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8464 GLN 652 CD 635 GLN 551 CA 47 0.509E+00 0.691E-01 -0.511E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8465 GLN 652 CD 635 GLN 551 C 48 0.659E+00 0.445E+00 -0.103E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8466 GLN 652 CD 635 GLN 551 O 49 0.723E+00 -0.500E+00 -0.625E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8467 GLN 652 CD 635 GLN 551 CB 50 0.505E+00 -0.609E-01 -0.535E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8468 GLN 652 CD 635 GLN 551 CG 51 0.599E+00 -0.259E-01 -0.204E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8469 GLN 652 CD 635 GLN 551 CD 52 0.589E+00 0.897E+00 -0.199E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8470 GLN 652 CD 635 GLN 551 OE1 53 0.557E+00 -0.952E+00 -0.291E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8471 GLN 652 CD 635 GLN 551 NE2 54 0.655E+00 -0.950E+00 -0.133E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8472 GLN 652 CD 635 GLN 552 N 58 0.734E+00 -0.333E+00 -0.671E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8473 GLN 652 CD 635 GLN 552 CA 59 0.879E+00 0.232E-01 -0.211E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8474 GLN 652 CD 635 GLN 552 C 60 0.926E+00 0.242E+00 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8475 GLN 652 CD 635 GLN 552 O 61 0.103E+01 -0.279E+00 -0.765E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8476 GLN 652 CD 635 GLN 552 CB 62 0.954E+00 -0.176E-01 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8477 GLN 652 CD 635 GLN 552 CG 63 0.999E+00 -0.103E-01 -0.975E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8478 GLN 652 CD 635 ASN 553 N 70 0.868E+00 -0.276E+00 -0.248E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8479 GLN 652 CD 635 ASN 553 CA 71 0.927E+00 0.259E-01 -0.153E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8480 GLN 652 CD 635 ASN 553 C 72 0.918E+00 0.361E+00 -0.144E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8481 GLN 652 CD 635 ASN 553 O 73 0.102E+01 -0.260E+00 -0.782E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8482 GLN 652 CD 635 ASN 553 CB 74 0.888E+00 -0.580E-01 -0.198E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8483 GLN 652 CD 635 ASN 553 CG 75 0.100E+01 0.300E+00 -0.859E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8484 GLN 652 CD 635 ASN 553 ND2 77 0.102E+01 -0.392E+00 -0.957E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8485 GLN 652 CD 635 ASN 554 N 81 0.806E+00 -0.312E+00 -0.384E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8486 GLN 652 CD 635 ASN 554 CA 82 0.821E+00 0.316E-01 -0.315E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8487 GLN 652 CD 635 ASN 554 C 83 0.929E+00 0.355E+00 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8488 GLN 652 CD 635 ASN 554 O 84 0.102E+01 -0.260E+00 -0.782E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8489 GLN 652 CD 635 ASN 554 CB 85 0.696E+00 -0.896E-01 -0.845E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8490 GLN 652 CD 635 ASN 554 CG 86 0.607E+00 0.735E+00 -0.167E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8491 GLN 652 CD 635 ASN 554 OD1 87 0.671E+00 -0.540E+00 -0.980E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8492 GLN 652 CD 635 ASN 554 ND2 88 0.478E+00 -0.170E+01 -0.790E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8493 GLN 652 CD 635 LEU 555 N 92 0.940E+00 -0.200E+00 -0.153E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8494 GLN 652 CD 635 LEU 555 CG 97 0.969E+00 0.103E+00 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8495 GLN 652 CD 635 LEU 555 CD1 98 0.102E+01 -0.613E-01 -0.858E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8496 GLN 652 CD 635 LEU 555 CD2 99 0.991E+00 -0.640E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8497 GLN 652 CD 635 ARG 557 CZ 118 0.103E+01 0.280E+00 -0.742E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8498 GLN 652 CD 635 ARG 557 NH2 120 0.898E+00 -0.416E+00 -0.202E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8499 GLN 652 CD 635 ARG 557 HE 122 0.103E+01 0.592E-01 -0.252E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8500 GLN 652 OE1 636 SER 546 N 4 0.875E+00 0.322E+00 -0.245E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8501 GLN 652 OE1 636 SER 546 CA 5 0.788E+00 -0.839E-01 -0.424E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8502 GLN 652 OE1 636 SER 546 C 6 0.651E+00 -0.493E+00 -0.116E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8503 GLN 652 OE1 636 SER 546 O 7 0.620E+00 0.657E+00 -0.159E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8504 GLN 652 OE1 636 SER 546 CB 8 0.789E+00 -0.104E+00 -0.420E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8505 GLN 652 OE1 636 SER 546 OG 9 0.748E+00 0.500E+00 -0.582E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8506 GLN 652 OE1 636 SER 546 HG 11 0.811E+00 -0.302E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8507 GLN 652 OE1 636 GLY 547 N 12 0.601E+00 0.452E+00 -0.229E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8508 GLN 652 OE1 636 GLY 547 CA 13 0.481E+00 0.259E+00 -0.753E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8509 GLN 652 OE1 636 GLY 547 C 14 0.514E+00 -0.997E+00 -0.463E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8510 GLN 652 OE1 636 GLY 547 O 15 0.450E+00 0.120E+01 -0.102E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8511 GLN 652 OE1 636 ILE 548 N 17 0.646E+00 0.469E+00 -0.150E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8512 GLN 652 OE1 636 ILE 548 CA 18 0.735E+00 0.823E-01 -0.641E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8513 GLN 652 OE1 636 ILE 548 C 19 0.754E+00 -0.438E+00 -0.489E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8514 GLN 652 OE1 636 ILE 548 O 20 0.774E+00 0.455E+00 -0.425E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8515 GLN 652 OE1 636 ILE 548 CB 21 0.876E+00 -0.368E-01 -0.224E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8516 GLN 652 OE1 636 ILE 548 CG1 22 0.900E+00 -0.125E-01 -0.191E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8517 GLN 652 OE1 636 ILE 548 CG2 23 0.980E+00 0.647E-01 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8518 GLN 652 OE1 636 ILE 548 CD1 24 0.104E+01 0.458E-01 -0.785E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8519 GLN 652 OE1 636 VAL 549 N 26 0.784E+00 0.323E+00 -0.471E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8520 GLN 652 OE1 636 VAL 549 CA 27 0.829E+00 0.338E-01 -0.312E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8521 GLN 652 OE1 636 VAL 549 C 28 0.730E+00 -0.365E+00 -0.593E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8522 GLN 652 OE1 636 VAL 549 O 29 0.781E+00 0.293E+00 -0.404E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8523 GLN 652 OE1 636 VAL 549 CB 30 0.896E+00 -0.226E+00 -0.197E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8524 GLN 652 OE1 636 VAL 549 CG1 31 0.961E+00 0.461E-01 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8525 GLN 652 OE1 636 VAL 549 CG2 32 0.102E+01 0.424E-01 -0.919E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8526 GLN 652 OE1 636 GLN 550 N 34 0.609E+00 0.454E+00 -0.211E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8527 GLN 652 OE1 636 GLN 550 CA 35 0.512E+00 -0.639E-01 -0.530E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8528 GLN 652 OE1 636 GLN 550 C 36 0.504E+00 -0.752E+00 -0.516E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8529 GLN 652 OE1 636 GLN 550 O 37 0.556E+00 0.809E+00 -0.303E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8530 GLN 652 OE1 636 GLN 550 CB 38 0.389E+00 0.110E+00 -0.205E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8531 GLN 652 OE1 636 GLN 550 CG 39 0.382E+00 0.718E-01 -0.218E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8532 GLN 652 OE1 636 GLN 550 CD 40 0.414E+00 -0.195E+01 -0.143E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8533 GLN 652 OE1 636 GLN 550 OE1 41 0.535E+00 0.983E+00 -0.382E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8534 GLN 652 OE1 636 GLN 550 NE2 42 0.350E+00 0.402E+01 -0.306E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8535 GLN 652 OE1 636 GLN 551 N 46 0.496E+00 0.720E+00 -0.691E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8536 GLN 652 OE1 636 GLN 551 CA 47 0.552E+00 -0.539E-01 -0.348E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8537 GLN 652 OE1 636 GLN 551 C 48 0.694E+00 -0.377E+00 -0.801E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8538 GLN 652 OE1 636 GLN 551 O 49 0.752E+00 0.437E+00 -0.504E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8539 GLN 652 OE1 636 GLN 551 CB 50 0.579E+00 0.420E-01 -0.264E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8540 GLN 652 OE1 636 GLN 551 CG 51 0.682E+00 0.187E-01 -0.100E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8541 GLN 652 OE1 636 GLN 551 CD 52 0.666E+00 -0.652E+00 -0.102E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8542 GLN 652 OE1 636 GLN 551 OE1 53 0.616E+00 0.721E+00 -0.166E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8543 GLN 652 OE1 636 GLN 551 NE2 54 0.741E+00 0.703E+00 -0.663E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8544 GLN 652 OE1 636 GLN 552 N 58 0.769E+00 0.287E+00 -0.528E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8545 GLN 652 OE1 636 GLN 552 CA 59 0.909E+00 -0.207E-01 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8546 GLN 652 OE1 636 GLN 552 C 60 0.938E+00 -0.223E+00 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8547 GLN 652 OE1 636 GLN 552 O 61 0.104E+01 0.259E+00 -0.734E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8548 GLN 652 OE1 636 GLN 552 CB 62 0.986E+00 0.158E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8549 GLN 652 OE1 636 GLN 552 CG 63 0.105E+01 0.903E-02 -0.768E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8550 GLN 652 OE1 636 ASN 553 N 70 0.865E+00 0.261E+00 -0.263E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8551 GLN 652 OE1 636 ASN 553 CA 71 0.907E+00 -0.253E-01 -0.183E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8552 GLN 652 OE1 636 ASN 553 C 72 0.895E+00 -0.354E+00 -0.175E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8553 GLN 652 OE1 636 ASN 553 O 73 0.997E+00 0.254E+00 -0.931E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8554 GLN 652 OE1 636 ASN 553 CB 74 0.851E+00 0.585E-01 -0.268E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8555 GLN 652 OE1 636 ASN 553 CG 75 0.950E+00 -0.304E+00 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8556 GLN 652 OE1 636 ASN 553 OD1 76 0.105E+01 0.239E+00 -0.702E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8557 GLN 652 OE1 636 ASN 553 ND2 77 0.955E+00 0.405E+00 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8558 GLN 652 OE1 636 ASN 554 N 81 0.789E+00 0.305E+00 -0.456E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8559 GLN 652 OE1 636 ASN 554 CA 82 0.803E+00 -0.310E-01 -0.379E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8560 GLN 652 OE1 636 ASN 554 C 83 0.924E+00 -0.336E+00 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8561 GLN 652 OE1 636 ASN 554 O 84 0.101E+01 0.248E+00 -0.843E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8562 GLN 652 OE1 636 ASN 554 CB 85 0.682E+00 0.875E-01 -0.998E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8563 GLN 652 OE1 636 ASN 554 CG 86 0.572E+00 -0.784E+00 -0.249E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8564 GLN 652 OE1 636 ASN 554 OD1 87 0.616E+00 0.605E+00 -0.166E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8565 GLN 652 OE1 636 ASN 554 ND2 88 0.449E+00 0.186E+01 -0.120E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8566 GLN 652 OE1 636 LEU 555 N 92 0.950E+00 0.185E+00 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8567 GLN 652 OE1 636 LEU 555 CG 97 0.102E+01 -0.906E-01 -0.925E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8568 GLN 652 OE1 636 LEU 555 CD2 99 0.104E+01 0.561E-01 -0.806E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8569 GLN 652 OE1 636 ARG 557 NE 117 0.101E+01 -0.220E+00 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8570 GLN 652 OE1 636 ARG 557 CZ 118 0.950E+00 -0.295E+00 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8571 GLN 652 OE1 636 ARG 557 NH1 119 0.103E+01 0.317E+00 -0.919E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8572 GLN 652 OE1 636 ARG 557 NH2 120 0.819E+00 0.455E+00 -0.362E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8573 GLN 652 OE1 636 ARG 557 HE 122 0.967E+00 -0.609E-01 -0.304E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8574 GLN 652 NE2 637 SER 546 N 4 0.764E+00 0.571E+00 -0.648E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8575 GLN 652 NE2 637 SER 546 CA 5 0.709E+00 -0.143E+00 -0.934E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8576 GLN 652 NE2 637 SER 546 C 6 0.575E+00 -0.903E+00 -0.283E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8577 GLN 652 NE2 637 SER 546 O 7 0.580E+00 0.106E+01 -0.281E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8578 GLN 652 NE2 637 SER 546 CB 8 0.722E+00 -0.173E+00 -0.838E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8579 GLN 652 NE2 637 SER 546 OG 9 0.653E+00 0.913E+00 -0.155E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8580 GLN 652 NE2 637 SER 546 HG 11 0.695E+00 -0.562E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8581 GLN 652 NE2 637 GLY 547 N 12 0.485E+00 0.103E+01 -0.907E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8582 GLN 652 NE2 637 GLY 547 CA 13 0.352E+00 0.813E+00 -0.183E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8583 GLN 652 NE2 637 GLY 547 C 14 0.400E+00 -0.260E+01 -0.173E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8584 GLN 652 NE2 637 GLY 547 O 15 0.370E+00 0.281E+01 -0.280E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8585 GLN 652 NE2 637 ILE 548 N 17 0.524E+00 0.104E+01 -0.592E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8586 GLN 652 NE2 637 ILE 548 CA 18 0.629E+00 0.158E+00 -0.189E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8587 GLN 652 NE2 637 ILE 548 C 19 0.690E+00 -0.729E+00 -0.973E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8588 GLN 652 NE2 637 ILE 548 O 20 0.731E+00 0.710E+00 -0.716E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8589 GLN 652 NE2 637 ILE 548 CB 21 0.751E+00 -0.675E-01 -0.660E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8590 GLN 652 NE2 637 ILE 548 CG1 22 0.744E+00 -0.244E-01 -0.699E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8591 GLN 652 NE2 637 ILE 548 CG2 23 0.870E+00 0.110E+00 -0.276E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8592 GLN 652 NE2 637 ILE 548 CD1 24 0.880E+00 0.836E-01 -0.257E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8593 GLN 652 NE2 637 VAL 549 N 26 0.732E+00 0.515E+00 -0.841E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8594 GLN 652 NE2 637 VAL 549 CA 27 0.813E+00 0.492E-01 -0.414E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8595 GLN 652 NE2 637 VAL 549 C 28 0.749E+00 -0.489E+00 -0.595E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8596 GLN 652 NE2 637 VAL 549 O 29 0.825E+00 0.374E+00 -0.348E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8597 GLN 652 NE2 637 VAL 549 CB 30 0.882E+00 -0.326E+00 -0.254E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8598 GLN 652 NE2 637 VAL 549 CG1 31 0.978E+00 0.632E-01 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8599 GLN 652 NE2 637 VAL 549 CG2 32 0.979E+00 0.630E-01 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8600 GLN 652 NE2 637 GLN 550 N 34 0.632E+00 0.590E+00 -0.199E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8601 GLN 652 NE2 637 GLN 550 CA 35 0.581E+00 -0.676E-01 -0.300E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8602 GLN 652 NE2 637 GLN 550 C 36 0.580E+00 -0.768E+00 -0.268E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8603 GLN 652 NE2 637 GLN 550 O 37 0.663E+00 0.783E+00 -0.128E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8604 GLN 652 NE2 637 GLN 550 CB 38 0.456E+00 0.103E+00 -0.113E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8605 GLN 652 NE2 637 GLN 550 CG 39 0.493E+00 0.531E-01 -0.751E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8606 GLN 652 NE2 637 GLN 550 CD 40 0.573E+00 -0.126E+01 -0.287E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8607 GLN 652 NE2 637 GLN 550 OE1 41 0.692E+00 0.799E+00 -0.990E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8608 GLN 652 NE2 637 GLN 550 NE2 42 0.543E+00 0.188E+01 -0.485E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8609 GLN 652 NE2 637 GLN 551 N 46 0.530E+00 0.867E+00 -0.554E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8610 GLN 652 NE2 637 GLN 551 CA 47 0.582E+00 -0.674E-01 -0.297E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8611 GLN 652 NE2 637 GLN 551 C 48 0.733E+00 -0.477E+00 -0.675E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8612 GLN 652 NE2 637 GLN 551 O 49 0.810E+00 0.537E+00 -0.387E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8613 GLN 652 NE2 637 GLN 551 CB 50 0.553E+00 0.653E-01 -0.400E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8614 GLN 652 NE2 637 GLN 551 CG 51 0.647E+00 0.291E-01 -0.160E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8615 GLN 652 NE2 637 GLN 551 CD 52 0.655E+00 -0.950E+00 -0.133E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8616 GLN 652 NE2 637 GLN 551 OE1 53 0.644E+00 0.922E+00 -0.152E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8617 GLN 652 NE2 637 GLN 551 NE2 54 0.710E+00 0.107E+01 -0.100E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8618 GLN 652 NE2 637 GLN 552 N 58 0.795E+00 0.381E+00 -0.514E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8619 GLN 652 NE2 637 GLN 552 CA 59 0.941E+00 -0.275E-01 -0.172E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8620 GLN 652 NE2 637 GLN 552 C 60 0.100E+01 -0.283E+00 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8621 GLN 652 NE2 637 GLN 552 CB 62 0.100E+01 0.217E-01 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8622 GLN 652 NE2 637 GLN 552 CG 63 0.103E+01 0.129E-01 -0.979E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8623 GLN 652 NE2 637 ASN 553 N 70 0.947E+00 0.317E+00 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8624 GLN 652 NE2 637 ASN 553 CA 71 0.102E+01 -0.298E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8625 GLN 652 NE2 637 ASN 553 C 72 0.102E+01 -0.406E+00 -0.936E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8626 GLN 652 NE2 637 ASN 553 CB 74 0.976E+00 0.661E-01 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8627 GLN 652 NE2 637 ASN 554 N 81 0.914E+00 0.335E+00 -0.223E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8628 GLN 652 NE2 637 ASN 554 CA 82 0.939E+00 -0.336E-01 -0.174E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8629 GLN 652 NE2 637 ASN 554 C 83 0.104E+01 -0.394E+00 -0.825E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8630 GLN 652 NE2 637 ASN 554 CB 85 0.817E+00 0.882E-01 -0.401E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8631 GLN 652 NE2 637 ASN 554 CG 86 0.732E+00 -0.667E+00 -0.682E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8632 GLN 652 NE2 637 ASN 554 OD1 87 0.797E+00 0.516E+00 -0.427E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8633 GLN 652 NE2 637 ASN 554 ND2 88 0.601E+00 0.133E+01 -0.269E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8634 GLN 652 NE2 637 LEU 555 N 92 0.104E+01 0.226E+00 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8635 GLN 652 NE2 637 LEU 555 CG 97 0.105E+01 -0.122E+00 -0.897E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8636 GLN 652 NE2 637 ARG 557 NH2 120 0.102E+01 0.453E+00 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8637 GLN 653 N 641 SER 546 C 6 0.104E+01 -0.136E+00 -0.834E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8638 GLN 653 N 641 SER 546 O 7 0.103E+01 0.165E+00 -0.907E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8639 GLN 653 N 641 GLY 547 N 12 0.945E+00 0.121E+00 -0.182E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8640 GLN 653 N 641 GLY 547 CA 13 0.802E+00 0.548E-01 -0.448E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8641 GLN 653 N 641 GLY 547 C 14 0.755E+00 -0.275E+00 -0.569E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8642 GLN 653 N 641 GLY 547 O 15 0.680E+00 0.294E+00 -0.110E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8643 GLN 653 N 641 ILE 548 N 17 0.831E+00 0.180E+00 -0.394E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8644 GLN 653 N 641 ILE 548 CA 18 0.853E+00 0.390E-01 -0.310E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8645 GLN 653 N 641 ILE 548 C 19 0.927E+00 -0.190E+00 -0.167E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8646 GLN 653 N 641 ILE 548 O 20 0.908E+00 0.214E+00 -0.195E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8647 GLN 653 N 641 ILE 548 CB 21 0.957E+00 -0.197E-01 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8648 GLN 653 N 641 ILE 548 CG1 22 0.917E+00 -0.747E-02 -0.200E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8649 GLN 653 N 641 ILE 548 CG2 23 0.102E+01 0.378E-01 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8650 GLN 653 N 641 ILE 548 CD1 24 0.105E+01 0.281E-01 -0.904E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8651 GLN 653 N 641 VAL 549 N 26 0.103E+01 0.128E+00 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8652 GLN 653 N 641 GLN 550 N 34 0.984E+00 0.118E+00 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8653 GLN 653 N 641 GLN 550 CA 35 0.932E+00 -0.123E-01 -0.182E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8654 GLN 653 N 641 GLN 550 C 36 0.838E+00 -0.165E+00 -0.306E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8655 GLN 653 N 641 GLN 550 O 37 0.875E+00 0.207E+00 -0.244E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8656 GLN 653 N 641 GLN 550 CB 38 0.872E+00 0.118E-01 -0.272E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8657 GLN 653 N 641 GLN 550 CG 39 0.947E+00 0.646E-02 -0.166E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8658 GLN 653 N 641 GLN 550 CD 40 0.969E+00 -0.208E+00 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8659 GLN 653 N 641 GLN 550 NE2 42 0.893E+00 0.313E+00 -0.257E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8660 GLN 653 N 641 GLN 551 N 46 0.737E+00 0.192E+00 -0.808E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8661 GLN 653 N 641 GLN 551 CA 47 0.663E+00 -0.225E-01 -0.139E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8662 GLN 653 N 641 GLN 551 C 48 0.777E+00 -0.188E+00 -0.478E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8663 GLN 653 N 641 GLN 551 O 49 0.794E+00 0.244E+00 -0.436E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8664 GLN 653 N 641 GLN 551 CB 50 0.575E+00 0.262E-01 -0.319E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8665 GLN 653 N 641 GLN 551 CG 51 0.521E+00 0.205E-01 -0.559E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8666 GLN 653 N 641 GLN 551 CD 52 0.431E+00 -0.108E+01 -0.130E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8667 GLN 653 N 641 GLN 551 OE1 53 0.458E+00 0.875E+00 -0.107E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8668 GLN 653 N 641 GLN 551 NE2 54 0.371E+00 0.212E+01 -0.274E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8669 GLN 653 N 641 GLN 552 N 58 0.880E+00 0.140E+00 -0.279E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8670 GLN 653 N 641 GLN 552 CA 59 0.101E+01 -0.109E-01 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8671 GLN 653 N 641 ASN 554 N 81 0.984E+00 0.131E+00 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8672 GLN 653 N 641 ASN 554 CA 82 0.946E+00 -0.146E-01 -0.167E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8673 GLN 653 N 641 ASN 554 C 83 0.980E+00 -0.189E+00 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8674 GLN 653 N 641 ASN 554 CB 85 0.803E+00 0.398E-01 -0.444E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8675 GLN 653 N 641 ASN 554 CG 86 0.804E+00 -0.247E+00 -0.391E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8676 GLN 653 N 641 ASN 554 OD1 87 0.904E+00 0.183E+00 -0.201E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8677 GLN 653 N 641 ASN 554 ND2 88 0.719E+00 0.405E+00 -0.930E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8678 GLN 653 N 641 LEU 555 N 92 0.965E+00 0.111E+00 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8679 GLN 653 N 641 LEU 555 CA 93 0.103E+01 0.289E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8680 GLN 653 N 641 LEU 555 CB 96 0.101E+01 0.424E-01 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8681 GLN 653 N 641 LEU 555 CG 97 0.871E+00 -0.708E-01 -0.273E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8682 GLN 653 N 641 LEU 555 CD1 98 0.902E+00 0.428E-01 -0.221E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8683 GLN 653 N 641 LEU 555 CD2 99 0.827E+00 0.495E-01 -0.373E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8684 GLN 653 CA 642 GLY 547 N 12 0.986E+00 -0.109E-01 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8685 GLN 653 CA 642 GLY 547 CA 13 0.848E+00 -0.475E-02 -0.293E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8686 GLN 653 CA 642 GLY 547 C 14 0.792E+00 0.241E-01 -0.391E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8687 GLN 653 CA 642 GLY 547 O 15 0.729E+00 -0.246E-01 -0.674E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8688 GLN 653 CA 642 ILE 548 N 17 0.849E+00 -0.166E-01 -0.319E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8689 GLN 653 CA 642 ILE 548 CA 18 0.858E+00 -0.369E-02 -0.274E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8690 GLN 653 CA 642 ILE 548 C 19 0.945E+00 0.176E-01 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8691 GLN 653 CA 642 ILE 548 O 20 0.928E+00 -0.198E-01 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8692 GLN 653 CA 642 ILE 548 CB 21 0.943E+00 0.193E-02 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8693 GLN 653 CA 642 ILE 548 CG1 22 0.887E+00 0.753E-03 -0.224E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8694 GLN 653 CA 642 ILE 548 CG2 23 0.993E+00 -0.374E-02 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8695 GLN 653 CA 642 ILE 548 CD1 24 0.101E+01 -0.285E-02 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8696 GLN 653 CA 642 GLN 550 N 34 0.105E+01 -0.103E-01 -0.906E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8697 GLN 653 CA 642 GLN 550 CA 35 0.101E+01 0.103E-02 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8698 GLN 653 CA 642 GLN 550 C 36 0.918E+00 0.136E-01 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8699 GLN 653 CA 642 GLN 550 O 37 0.962E+00 -0.170E-01 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8700 GLN 653 CA 642 GLN 550 CB 38 0.959E+00 -0.969E-03 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8701 GLN 653 CA 642 GLN 550 CG 39 0.105E+01 -0.532E-03 -0.828E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8702 GLN 653 CA 642 GLN 550 NE2 42 0.101E+01 -0.246E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8703 GLN 653 CA 642 GLN 551 N 46 0.804E+00 -0.156E-01 -0.439E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8704 GLN 653 CA 642 GLN 551 CA 47 0.724E+00 0.181E-02 -0.752E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8705 GLN 653 CA 642 GLN 551 C 48 0.828E+00 0.161E-01 -0.300E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8706 GLN 653 CA 642 GLN 551 O 49 0.848E+00 -0.208E-01 -0.273E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8707 GLN 653 CA 642 GLN 551 CB 50 0.613E+00 -0.219E-02 -0.201E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8708 GLN 653 CA 642 GLN 551 CG 51 0.536E+00 -0.183E-02 -0.433E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8709 GLN 653 CA 642 GLN 551 CD 52 0.464E+00 0.860E-01 -0.821E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8710 GLN 653 CA 642 GLN 551 OE1 53 0.523E+00 -0.609E-01 -0.473E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8711 GLN 653 CA 642 GLN 551 NE2 54 0.377E+00 -0.194E+00 -0.221E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8712 GLN 653 CA 642 GLN 552 N 58 0.921E+00 -0.125E-01 -0.196E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8713 GLN 653 CA 642 GLN 552 CA 59 0.104E+01 0.993E-03 -0.862E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8714 GLN 653 CA 642 ASN 554 CA 82 0.104E+01 0.122E-02 -0.891E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8715 GLN 653 CA 642 ASN 554 CB 85 0.900E+00 -0.314E-02 -0.206E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8716 GLN 653 CA 642 ASN 554 CG 86 0.915E+00 0.190E-01 -0.165E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8717 GLN 653 CA 642 ASN 554 OD1 87 0.102E+01 -0.145E-01 -0.894E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8718 GLN 653 CA 642 ASN 554 ND2 88 0.832E+00 -0.298E-01 -0.360E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8719 GLN 653 CA 642 LEU 555 N 92 0.102E+01 -0.975E-02 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8720 GLN 653 CA 642 LEU 555 CB 96 0.103E+01 -0.391E-02 -0.902E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8721 GLN 653 CA 642 LEU 555 CG 97 0.888E+00 0.656E-02 -0.222E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8722 GLN 653 CA 642 LEU 555 CD1 98 0.897E+00 -0.414E-02 -0.210E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8723 GLN 653 CA 642 LEU 555 CD2 99 0.844E+00 -0.458E-02 -0.303E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8724 GLN 653 C 643 GLY 547 N 12 0.102E+01 -0.117E+00 -0.928E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8725 GLN 653 C 643 GLY 547 CA 13 0.890E+00 -0.498E-01 -0.195E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8726 GLN 653 C 643 GLY 547 C 14 0.853E+00 0.240E+00 -0.223E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8727 GLN 653 C 643 GLY 547 O 15 0.807E+00 -0.232E+00 -0.326E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8728 GLN 653 C 643 ILE 548 N 17 0.908E+00 -0.168E+00 -0.189E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8729 GLN 653 C 643 ILE 548 CA 18 0.932E+00 -0.366E-01 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8730 GLN 653 C 643 ILE 548 C 19 0.103E+01 0.175E+00 -0.705E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8731 GLN 653 C 643 ILE 548 O 20 0.103E+01 -0.191E+00 -0.751E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8732 GLN 653 C 643 ILE 548 CB 21 0.101E+01 0.198E-01 -0.941E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8733 GLN 653 C 643 ILE 548 CG1 22 0.930E+00 0.792E-02 -0.150E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8734 GLN 653 C 643 ILE 548 CD1 24 0.104E+01 -0.309E-01 -0.786E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8735 GLN 653 C 643 GLN 550 C 36 0.103E+01 0.129E+00 -0.723E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8736 GLN 653 C 643 GLN 550 CB 38 0.104E+01 -0.970E-02 -0.754E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8737 GLN 653 C 643 GLN 551 N 46 0.918E+00 -0.142E+00 -0.177E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8738 GLN 653 C 643 GLN 551 CA 47 0.852E+00 0.153E-01 -0.254E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8739 GLN 653 C 643 GLN 551 C 48 0.963E+00 0.143E+00 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8740 GLN 653 C 643 GLN 551 O 49 0.991E+00 -0.184E+00 -0.950E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8741 GLN 653 C 643 GLN 551 CB 50 0.736E+00 -0.172E-01 -0.605E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8742 GLN 653 C 643 GLN 551 CG 51 0.671E+00 -0.128E-01 -0.104E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8743 GLN 653 C 643 GLN 551 CD 52 0.611E+00 0.519E+00 -0.160E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8744 GLN 653 C 643 GLN 551 OE1 53 0.669E+00 -0.405E+00 -0.994E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8745 GLN 653 C 643 GLN 551 NE2 54 0.527E+00 -0.953E+00 -0.464E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8746 GLN 653 C 643 ASN 554 CB 85 0.104E+01 -0.287E-01 -0.775E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8747 GLN 653 C 643 ASN 554 CG 86 0.104E+01 0.177E+00 -0.672E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8748 GLN 653 C 643 ASN 554 ND2 88 0.952E+00 -0.271E+00 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8749 GLN 653 C 643 LEU 555 CG 97 0.104E+01 0.586E-01 -0.779E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8750 GLN 653 C 643 LEU 555 CD1 98 0.104E+01 -0.374E-01 -0.767E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8751 GLN 653 C 643 LEU 555 CD2 99 0.994E+00 -0.400E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8752 GLN 653 O 644 GLY 547 N 12 0.997E+00 0.163E+00 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8753 GLN 653 O 644 GLY 547 CA 13 0.873E+00 0.692E-01 -0.229E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8754 GLN 653 O 644 GLY 547 C 14 0.839E+00 -0.333E+00 -0.259E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8755 GLN 653 O 644 GLY 547 O 15 0.808E+00 0.312E+00 -0.329E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8756 GLN 653 O 644 ILE 548 N 17 0.879E+00 0.239E+00 -0.237E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8757 GLN 653 O 644 ILE 548 CA 18 0.903E+00 0.518E-01 -0.187E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8758 GLN 653 O 644 ILE 548 C 19 0.102E+01 -0.241E+00 -0.808E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8759 GLN 653 O 644 ILE 548 O 20 0.102E+01 0.260E+00 -0.792E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8760 GLN 653 O 644 ILE 548 CB 21 0.960E+00 -0.286E-01 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8761 GLN 653 O 644 ILE 548 CG1 22 0.869E+00 -0.119E-01 -0.235E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8762 GLN 653 O 644 ILE 548 CG2 23 0.102E+01 0.546E-01 -0.887E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8763 GLN 653 O 644 ILE 548 CD1 24 0.963E+00 0.464E-01 -0.128E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8764 GLN 653 O 644 GLN 551 N 46 0.947E+00 0.182E+00 -0.152E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8765 GLN 653 O 644 GLN 551 CA 47 0.889E+00 -0.193E-01 -0.205E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8766 GLN 653 O 644 GLN 551 C 48 0.100E+01 -0.182E+00 -0.897E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8767 GLN 653 O 644 GLN 551 O 49 0.104E+01 0.232E+00 -0.727E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8768 GLN 653 O 644 GLN 551 CB 50 0.761E+00 0.218E-01 -0.519E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8769 GLN 653 O 644 GLN 551 CG 51 0.701E+00 0.159E-01 -0.848E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8770 GLN 653 O 644 GLN 551 CD 52 0.666E+00 -0.588E+00 -0.103E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8771 GLN 653 O 644 GLN 551 OE1 53 0.737E+00 0.453E+00 -0.569E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8772 GLN 653 O 644 GLN 551 NE2 54 0.586E+00 0.101E+01 -0.266E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8773 GLN 653 O 644 ASN 554 ND2 88 0.102E+01 0.329E+00 -0.960E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8774 GLN 653 CB 645 GLY 547 CA 13 0.981E+00 0.327E-02 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8775 GLN 653 CB 645 GLY 547 C 14 0.912E+00 -0.165E-01 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8776 GLN 653 CB 645 GLY 547 O 15 0.841E+00 0.165E-01 -0.287E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8777 GLN 653 CB 645 ILE 548 N 17 0.962E+00 0.118E-01 -0.151E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8778 GLN 653 CB 645 ILE 548 CA 18 0.955E+00 0.269E-02 -0.145E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8779 GLN 653 CB 645 ILE 548 C 19 0.103E+01 -0.134E-01 -0.803E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8780 GLN 653 CB 645 ILE 548 O 20 0.100E+01 0.153E-01 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8781 GLN 653 CB 645 ILE 548 CB 21 0.104E+01 -0.145E-02 -0.882E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8782 GLN 653 CB 645 ILE 548 CG1 22 0.986E+00 -0.553E-03 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8783 GLN 653 CB 645 GLN 550 C 36 0.996E+00 -0.104E-01 -0.994E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8784 GLN 653 CB 645 GLN 550 O 37 0.103E+01 0.134E-01 -0.865E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8785 GLN 653 CB 645 GLN 551 N 46 0.883E+00 0.116E-01 -0.253E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8786 GLN 653 CB 645 GLN 551 CA 47 0.783E+00 -0.136E-02 -0.473E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8787 GLN 653 CB 645 GLN 551 C 48 0.867E+00 -0.129E-01 -0.229E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8788 GLN 653 CB 645 GLN 551 O 49 0.868E+00 0.173E-01 -0.237E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8789 GLN 653 CB 645 GLN 551 CB 50 0.676E+00 0.155E-02 -0.113E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8790 GLN 653 CB 645 GLN 551 CG 51 0.571E+00 0.138E-02 -0.303E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8791 GLN 653 CB 645 GLN 551 CD 52 0.480E+00 -0.686E-01 -0.694E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8792 GLN 653 CB 645 GLN 551 OE1 53 0.540E+00 0.490E-01 -0.394E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8793 GLN 653 CB 645 GLN 551 NE2 54 0.364E+00 0.184E+00 -0.216E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8794 GLN 653 CB 645 GLN 552 N 58 0.964E+00 0.101E-01 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8795 GLN 653 CB 645 ASN 554 CA 82 0.105E+01 -0.104E-02 -0.834E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8796 GLN 653 CB 645 ASN 554 C 83 0.105E+01 -0.142E-01 -0.741E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8797 GLN 653 CB 645 ASN 554 CB 85 0.917E+00 0.264E-02 -0.184E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8798 GLN 653 CB 645 ASN 554 CG 86 0.953E+00 -0.154E-01 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8799 GLN 653 CB 645 ASN 554 ND2 88 0.887E+00 0.232E-01 -0.245E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8800 GLN 653 CB 645 LEU 555 N 92 0.101E+01 0.858E-02 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8801 GLN 653 CB 645 LEU 555 CA 93 0.104E+01 0.234E-02 -0.859E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8802 GLN 653 CB 645 LEU 555 CB 96 0.100E+01 0.353E-02 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8803 GLN 653 CB 645 LEU 555 CG 97 0.857E+00 -0.602E-02 -0.276E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8804 GLN 653 CB 645 LEU 555 CD1 98 0.865E+00 0.379E-02 -0.260E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8805 GLN 653 CB 645 LEU 555 CD2 99 0.791E+00 0.442E-02 -0.445E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8806 GLN 653 CG 646 GLY 547 CA 13 0.104E+01 0.188E-02 -0.877E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8807 GLN 653 CG 646 GLY 547 C 14 0.960E+00 -0.950E-02 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8808 GLN 653 CG 646 GLY 547 O 15 0.899E+00 0.922E-02 -0.193E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8809 GLN 653 CG 646 ILE 548 N 17 0.991E+00 0.703E-02 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8810 GLN 653 CG 646 ILE 548 CA 18 0.969E+00 0.164E-02 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8811 GLN 653 CG 646 ILE 548 O 20 0.102E+01 0.923E-02 -0.892E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8812 GLN 653 CG 646 ILE 548 CB 21 0.103E+01 -0.912E-03 -0.911E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8813 GLN 653 CG 646 ILE 548 CG1 22 0.968E+00 -0.355E-03 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8814 GLN 653 CG 646 ILE 548 CG2 23 0.105E+01 0.186E-02 -0.821E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8815 GLN 653 CG 646 GLN 551 N 46 0.953E+00 0.640E-02 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8816 GLN 653 CG 646 GLN 551 CA 47 0.850E+00 -0.734E-03 -0.289E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8817 GLN 653 CG 646 GLN 551 C 48 0.921E+00 -0.730E-02 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8818 GLN 653 CG 646 GLN 551 O 49 0.926E+00 0.976E-02 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8819 GLN 653 CG 646 GLN 551 CB 50 0.728E+00 0.838E-03 -0.731E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8820 GLN 653 CG 646 GLN 551 CG 51 0.609E+00 0.749E-03 -0.209E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8821 GLN 653 CG 646 GLN 551 CD 52 0.543E+00 -0.321E-01 -0.355E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8822 GLN 653 CG 646 GLN 551 OE1 53 0.626E+00 0.222E-01 -0.166E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8823 GLN 653 CG 646 GLN 551 NE2 54 0.421E+00 0.787E-01 -0.163E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8824 GLN 653 CG 646 GLN 552 N 58 0.101E+01 0.590E-02 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8825 GLN 653 CG 646 ASN 554 CB 85 0.102E+01 0.141E-02 -0.989E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8826 GLN 653 CG 646 ASN 554 ND2 88 0.999E+00 0.120E-01 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8827 GLN 653 CG 646 LEU 555 CB 96 0.103E+01 0.212E-02 -0.918E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8828 GLN 653 CG 646 LEU 555 CG 97 0.880E+00 -0.360E-02 -0.235E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8829 GLN 653 CG 646 LEU 555 CD1 98 0.863E+00 0.238E-02 -0.264E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8830 GLN 653 CG 646 LEU 555 CD2 99 0.819E+00 0.260E-02 -0.362E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8831 GLN 653 CD 647 GLY 547 CA 13 0.975E+00 -0.688E-01 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8832 GLN 653 CD 647 GLY 547 C 14 0.882E+00 0.362E+00 -0.182E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8833 GLN 653 CD 647 GLY 547 O 15 0.825E+00 -0.355E+00 -0.284E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8834 GLN 653 CD 647 ILE 548 N 17 0.897E+00 -0.274E+00 -0.204E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8835 GLN 653 CD 647 ILE 548 CA 18 0.859E+00 -0.665E-01 -0.242E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8836 GLN 653 CD 647 ILE 548 C 19 0.944E+00 0.319E+00 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8837 GLN 653 CD 647 ILE 548 O 20 0.908E+00 -0.369E+00 -0.160E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8838 GLN 653 CD 647 ILE 548 CB 21 0.911E+00 0.368E-01 -0.170E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8839 GLN 653 CD 647 ILE 548 CG1 22 0.851E+00 0.146E-01 -0.255E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8840 GLN 653 CD 647 ILE 548 CG2 23 0.916E+00 -0.763E-01 -0.164E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8841 GLN 653 CD 647 ILE 548 CD1 24 0.946E+00 -0.564E-01 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8842 GLN 653 CD 647 GLN 550 C 36 0.101E+01 0.212E+00 -0.817E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8843 GLN 653 CD 647 GLN 551 N 46 0.880E+00 -0.242E+00 -0.227E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8844 GLN 653 CD 647 GLN 551 CA 47 0.778E+00 0.286E-01 -0.437E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8845 GLN 653 CD 647 GLN 551 C 48 0.838E+00 0.285E+00 -0.249E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8846 GLN 653 CD 647 GLN 551 O 49 0.851E+00 -0.374E+00 -0.237E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8847 GLN 653 CD 647 GLN 551 CB 50 0.644E+00 -0.356E-01 -0.134E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8848 GLN 653 CD 647 GLN 551 CG 51 0.519E+00 -0.357E-01 -0.459E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8849 GLN 653 CD 647 GLN 551 CD 52 0.486E+00 0.139E+01 -0.576E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8850 GLN 653 CD 647 GLN 551 OE1 53 0.589E+00 -0.841E+00 -0.210E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8851 GLN 653 CD 647 GLN 551 NE2 54 0.375E+00 -0.356E+01 -0.196E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8852 GLN 653 CD 647 GLN 552 N 58 0.907E+00 -0.231E+00 -0.190E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8853 GLN 653 CD 647 GLN 552 CA 59 0.999E+00 0.190E-01 -0.978E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8854 GLN 653 CD 647 GLN 552 CG 63 0.101E+01 -0.101E-01 -0.897E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8855 GLN 653 CD 647 ASN 554 CB 85 0.989E+00 -0.491E-01 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8856 GLN 653 CD 647 ASN 554 CG 86 0.104E+01 0.283E+00 -0.673E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8857 GLN 653 CD 647 ASN 554 ND2 88 0.975E+00 -0.417E+00 -0.124E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8858 GLN 653 CD 647 LEU 555 N 92 0.102E+01 -0.178E+00 -0.967E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8859 GLN 653 CD 647 LEU 555 CA 93 0.103E+01 -0.500E-01 -0.835E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8860 GLN 653 CD 647 LEU 555 CB 96 0.950E+00 -0.799E-01 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8861 GLN 653 CD 647 LEU 555 CG 97 0.798E+00 0.142E+00 -0.374E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8862 GLN 653 CD 647 LEU 555 CD1 98 0.760E+00 -0.991E-01 -0.499E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8863 GLN 653 CD 647 LEU 555 CD2 99 0.757E+00 -0.999E-01 -0.513E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8864 GLN 653 OE1 648 GLY 547 N 12 0.101E+01 0.178E+00 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8865 GLN 653 OE1 648 GLY 547 CA 13 0.886E+00 0.751E-01 -0.210E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8866 GLN 653 OE1 648 GLY 547 C 14 0.784E+00 -0.416E+00 -0.386E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8867 GLN 653 OE1 648 GLY 547 O 15 0.721E+00 0.426E+00 -0.650E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8868 GLN 653 OE1 648 ILE 548 N 17 0.799E+00 0.313E+00 -0.420E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8869 GLN 653 OE1 648 ILE 548 CA 18 0.755E+00 0.782E-01 -0.545E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8870 GLN 653 OE1 648 ILE 548 C 19 0.832E+00 -0.368E+00 -0.271E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8871 GLN 653 OE1 648 ILE 548 O 20 0.792E+00 0.437E+00 -0.372E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8872 GLN 653 OE1 648 ILE 548 CB 21 0.817E+00 -0.414E-01 -0.341E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8873 GLN 653 OE1 648 ILE 548 CG1 22 0.772E+00 -0.162E-01 -0.479E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8874 GLN 653 OE1 648 ILE 548 CG2 23 0.821E+00 0.861E-01 -0.332E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8875 GLN 653 OE1 648 ILE 548 CD1 24 0.878E+00 0.597E-01 -0.221E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8876 GLN 653 OE1 648 VAL 549 N 26 0.961E+00 0.231E+00 -0.140E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8877 GLN 653 OE1 648 VAL 549 C 28 0.104E+01 -0.205E+00 -0.730E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8878 GLN 653 OE1 648 GLN 550 N 34 0.101E+01 0.185E+00 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8879 GLN 653 OE1 648 GLN 550 CA 35 0.100E+01 -0.178E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8880 GLN 653 OE1 648 GLN 550 C 36 0.892E+00 -0.241E+00 -0.179E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8881 GLN 653 OE1 648 GLN 550 O 37 0.935E+00 0.302E+00 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8882 GLN 653 OE1 648 GLN 550 CB 38 0.990E+00 0.157E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8883 GLN 653 OE1 648 GLN 551 N 46 0.763E+00 0.291E+00 -0.555E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8884 GLN 653 OE1 648 GLN 551 CA 47 0.659E+00 -0.369E-01 -0.123E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8885 GLN 653 OE1 648 GLN 551 C 48 0.717E+00 -0.354E+00 -0.659E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8886 GLN 653 OE1 648 GLN 551 O 49 0.734E+00 0.457E+00 -0.583E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8887 GLN 653 OE1 648 GLN 551 CB 50 0.524E+00 0.524E-01 -0.466E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8888 GLN 653 OE1 648 GLN 551 CG 51 0.398E+00 0.648E-01 -0.190E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8889 GLN 653 OE1 648 GLN 551 CD 52 0.377E+00 -0.250E+01 -0.201E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8890 GLN 653 OE1 648 GLN 551 OE1 53 0.487E+00 0.122E+01 -0.650E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8891 GLN 653 OE1 648 GLN 551 NE2 54 0.279E+00 0.759E+01 0.204E+01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8892 GLN 653 OE1 648 GLN 552 N 58 0.786E+00 0.277E+00 -0.466E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8893 GLN 653 OE1 648 GLN 552 CA 59 0.879E+00 -0.218E-01 -0.220E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8894 GLN 653 OE1 648 GLN 552 C 60 0.989E+00 -0.206E+00 -0.966E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8895 GLN 653 OE1 648 GLN 552 O 61 0.104E+01 0.256E+00 -0.710E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8896 GLN 653 OE1 648 GLN 552 CB 62 0.960E+00 0.164E-01 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8897 GLN 653 OE1 648 GLN 552 CG 63 0.899E+00 0.114E-01 -0.192E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8898 GLN 653 OE1 648 GLN 552 CD 64 0.990E+00 -0.327E+00 -0.957E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8899 GLN 653 OE1 648 GLN 552 NE2 66 0.999E+00 0.427E+00 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8900 GLN 653 OE1 648 ASN 553 N 70 0.104E+01 0.197E+00 -0.886E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8901 GLN 653 OE1 648 ASN 554 N 81 0.101E+01 0.206E+00 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8902 GLN 653 OE1 648 ASN 554 CA 82 0.992E+00 -0.220E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8903 GLN 653 OE1 648 ASN 554 C 83 0.979E+00 -0.307E+00 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8904 GLN 653 OE1 648 ASN 554 CB 85 0.887E+00 0.546E-01 -0.208E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8905 GLN 653 OE1 648 ASN 554 CG 86 0.940E+00 -0.310E+00 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8906 GLN 653 OE1 648 ASN 554 ND2 88 0.871E+00 0.468E+00 -0.250E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8907 GLN 653 OE1 648 LEU 555 N 92 0.911E+00 0.198E+00 -0.192E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8908 GLN 653 OE1 648 LEU 555 CA 93 0.928E+00 0.546E-01 -0.159E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8909 GLN 653 OE1 648 LEU 555 CB 96 0.852E+00 0.895E-01 -0.266E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8910 GLN 653 OE1 648 LEU 555 CG 97 0.700E+00 -0.170E+00 -0.860E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8911 GLN 653 OE1 648 LEU 555 CD1 98 0.664E+00 0.121E+00 -0.117E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8912 GLN 653 OE1 648 LEU 555 CD2 99 0.672E+00 0.118E+00 -0.109E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8913 GLN 653 NE2 649 GLY 547 CA 13 0.104E+01 0.830E-01 -0.956E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8914 GLN 653 NE2 649 GLY 547 C 14 0.940E+00 -0.433E+00 -0.154E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8915 GLN 653 NE2 649 GLY 547 O 15 0.893E+00 0.412E+00 -0.217E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8916 GLN 653 NE2 649 ILE 548 N 17 0.937E+00 0.338E+00 -0.192E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8917 GLN 653 NE2 649 ILE 548 CA 18 0.886E+00 0.835E-01 -0.246E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8918 GLN 653 NE2 649 ILE 548 C 19 0.975E+00 -0.401E+00 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8919 GLN 653 NE2 649 ILE 548 O 20 0.941E+00 0.462E+00 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8920 GLN 653 NE2 649 ILE 548 CB 21 0.918E+00 -0.480E-01 -0.199E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8921 GLN 653 NE2 649 ILE 548 CG1 22 0.851E+00 -0.193E-01 -0.315E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8922 GLN 653 NE2 649 ILE 548 CG2 23 0.910E+00 0.102E+00 -0.211E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8923 GLN 653 NE2 649 ILE 548 CD1 24 0.929E+00 0.767E-01 -0.186E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8924 GLN 653 NE2 649 GLN 551 N 46 0.955E+00 0.281E+00 -0.171E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8925 GLN 653 NE2 649 GLN 551 CA 47 0.854E+00 -0.322E-01 -0.307E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8926 GLN 653 NE2 649 GLN 551 C 48 0.902E+00 -0.334E+00 -0.197E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8927 GLN 653 NE2 649 GLN 551 O 49 0.918E+00 0.437E+00 -0.184E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8928 GLN 653 NE2 649 GLN 551 CB 50 0.714E+00 0.383E-01 -0.891E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8929 GLN 653 NE2 649 GLN 551 CG 51 0.587E+00 0.357E-01 -0.282E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8930 GLN 653 NE2 649 GLN 551 CD 52 0.578E+00 -0.124E+01 -0.275E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8931 GLN 653 NE2 649 GLN 551 OE1 53 0.689E+00 0.807E+00 -0.102E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8932 GLN 653 NE2 649 GLN 551 NE2 54 0.474E+00 0.258E+01 -0.102E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8933 GLN 653 NE2 649 GLN 552 N 58 0.957E+00 0.280E+00 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8934 GLN 653 NE2 649 GLN 552 CA 59 0.104E+01 -0.238E-01 -0.953E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8935 GLN 653 NE2 649 GLN 552 CG 63 0.102E+01 0.131E-01 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8936 GLN 653 NE2 649 LEU 555 CB 96 0.991E+00 0.991E-01 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8937 GLN 653 NE2 649 LEU 555 CG 97 0.840E+00 -0.172E+00 -0.339E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8938 GLN 653 NE2 649 LEU 555 CD1 98 0.780E+00 0.125E+00 -0.528E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8939 GLN 653 NE2 649 LEU 555 CD2 99 0.807E+00 0.118E+00 -0.433E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8940 GLU 654 N 653 GLY 547 CA 13 0.963E+00 0.444E-01 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8941 GLU 654 N 653 GLY 547 C 14 0.941E+00 -0.207E+00 -0.153E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8942 GLU 654 N 653 GLY 547 O 15 0.892E+00 0.197E+00 -0.218E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8943 GLU 654 N 653 ILE 548 N 17 0.101E+01 0.145E+00 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8944 GLU 654 N 653 ILE 548 CA 18 0.104E+01 0.313E-01 -0.937E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8945 GLU 654 N 653 ILE 548 CG1 22 0.105E+01 -0.669E-02 -0.903E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8946 GLU 654 N 653 GLN 551 N 46 0.997E+00 0.126E+00 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8947 GLU 654 N 653 GLN 551 CA 47 0.934E+00 -0.134E-01 -0.180E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8948 GLU 654 N 653 GLN 551 CB 50 0.831E+00 0.140E-01 -0.361E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8949 GLU 654 N 653 GLN 551 CG 51 0.772E+00 0.992E-02 -0.560E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8950 GLU 654 N 653 GLN 551 CD 52 0.696E+00 -0.402E+00 -0.920E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8951 GLU 654 N 653 GLN 551 OE1 53 0.736E+00 0.340E+00 -0.687E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8952 GLU 654 N 653 GLN 551 NE2 54 0.613E+00 0.689E+00 -0.240E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8953 GLU 654 N 653 ASN 554 ND2 88 0.991E+00 0.258E+00 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8954 GLU 654 CA 654 GLY 547 CA 13 0.103E+01 -0.304E-02 -0.922E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8955 GLU 654 CA 654 GLY 547 C 14 0.102E+01 0.138E-01 -0.848E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8956 GLU 654 CA 654 GLY 547 O 15 0.987E+00 -0.128E-01 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8957 GLU 654 CA 654 GLN 551 CB 50 0.957E+00 -0.841E-03 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8958 GLU 654 CA 654 GLN 551 CG 51 0.906E+00 -0.573E-03 -0.198E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8959 GLU 654 CA 654 GLN 551 CD 52 0.838E+00 0.218E-01 -0.280E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8960 GLU 654 CA 654 GLN 551 OE1 53 0.878E+00 -0.189E-01 -0.221E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8961 GLU 654 CA 654 GLN 551 NE2 54 0.756E+00 -0.345E-01 -0.636E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8962 GLU 654 C 655 GLY 547 CA 13 0.942E+00 -0.510E-01 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8963 GLU 654 C 655 GLY 547 C 14 0.954E+00 0.225E+00 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8964 GLU 654 C 655 GLY 547 O 15 0.933E+00 -0.204E+00 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8965 GLU 654 C 655 ILE 548 N 17 0.102E+01 -0.159E+00 -0.948E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8966 GLU 654 C 655 GLN 551 CB 50 0.953E+00 -0.124E-01 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8967 GLU 654 C 655 GLN 551 CG 51 0.924E+00 -0.816E-02 -0.156E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8968 GLU 654 C 655 GLN 551 CD 52 0.873E+00 0.298E+00 -0.194E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8969 GLU 654 C 655 GLN 551 OE1 53 0.914E+00 -0.260E+00 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8970 GLU 654 C 655 GLN 551 NE2 54 0.809E+00 -0.448E+00 -0.375E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8971 GLU 654 O 656 GLY 547 CA 13 0.971E+00 0.614E-01 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8972 GLU 654 O 656 GLY 547 C 14 0.988E+00 -0.270E+00 -0.967E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8973 GLU 654 O 656 GLY 547 O 15 0.981E+00 0.239E+00 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8974 GLU 654 O 656 ILE 548 N 17 0.104E+01 0.194E+00 -0.859E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8975 GLU 654 O 656 GLN 551 CB 50 0.102E+01 0.142E-01 -0.905E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8976 GLU 654 O 656 GLN 551 CG 51 0.993E+00 0.922E-02 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8977 GLU 654 O 656 GLN 551 CD 52 0.956E+00 -0.326E+00 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8978 GLU 654 O 656 GLN 551 OE1 53 0.101E+01 0.284E+00 -0.885E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8979 GLU 654 O 656 GLN 551 NE2 54 0.892E+00 0.480E+00 -0.218E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8980 GLU 654 CB 657 GLN 551 CG 51 0.101E+01 -0.113E-02 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8981 GLU 654 CB 657 GLN 551 CD 52 0.927E+00 0.432E-01 -0.153E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8982 GLU 654 CB 657 GLN 551 OE1 53 0.952E+00 -0.390E-01 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8983 GLU 654 CB 657 GLN 551 NE2 54 0.845E+00 -0.665E-01 -0.328E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8984 GLU 654 CG 658 GLN 551 CD 52 0.977E+00 -0.181E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8985 GLU 654 CG 658 GLN 551 OE1 53 0.101E+01 0.163E-01 -0.985E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8986 GLU 654 CG 658 GLN 551 NE2 54 0.881E+00 0.281E-01 -0.256E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8987 GLU 654 CD 659 GLN 551 CD 52 0.104E+01 0.372E+00 -0.687E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8988 GLU 654 CD 659 GLN 551 NE2 54 0.943E+00 -0.567E+00 -0.150E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8989 GLU 654 OE1 660 GLN 551 CD 52 0.976E+00 -0.438E+00 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8990 GLU 654 OE1 660 GLN 551 OE1 53 0.978E+00 0.411E+00 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8991 GLU 654 OE1 660 GLN 551 NE2 54 0.885E+00 0.676E+00 -0.228E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8992 LYS 655 N 663 GLY 547 N 12 0.971E+00 0.131E+00 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8993 LYS 655 N 663 GLY 547 CA 13 0.849E+00 0.559E-01 -0.318E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8994 LYS 655 N 663 GLY 547 C 14 0.872E+00 -0.241E+00 -0.241E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8995 LYS 655 N 663 GLY 547 O 15 0.849E+00 0.221E+00 -0.292E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8996 LYS 655 N 663 ILE 548 N 17 0.949E+00 0.164E+00 -0.178E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8997 LYS 655 N 663 ILE 548 CA 18 0.102E+01 0.332E-01 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8998 LYS 655 N 663 ILE 548 CG1 22 0.102E+01 -0.718E-02 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
8999 LYS 655 N 663 GLN 550 CB 38 0.103E+01 0.102E-01 -0.980E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9000 LYS 655 N 663 GLN 551 N 46 0.101E+01 0.128E+00 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9001 LYS 655 N 663 GLN 551 CA 47 0.984E+00 -0.127E-01 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9002 LYS 655 N 663 GLN 551 CB 50 0.892E+00 0.128E-01 -0.237E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9003 LYS 655 N 663 GLN 551 CG 51 0.882E+00 0.815E-02 -0.254E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9004 LYS 655 N 663 GLN 551 CD 52 0.832E+00 -0.300E+00 -0.318E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9005 LYS 655 N 663 GLN 551 OE1 53 0.860E+00 0.266E+00 -0.271E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9006 LYS 655 N 663 GLN 551 NE2 54 0.786E+00 0.438E+00 -0.548E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9007 LYS 655 N 663 ASN 554 ND2 88 0.102E+01 0.255E+00 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9008 LYS 655 CA 664 SER 546 C 6 0.102E+01 -0.142E-01 -0.886E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9009 LYS 655 CA 664 SER 546 OG 9 0.101E+01 0.188E-01 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9010 LYS 655 CA 664 SER 546 HG 11 0.101E+01 -0.132E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9011 LYS 655 CA 664 GLY 547 N 12 0.890E+00 0.134E-01 -0.240E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9012 LYS 655 CA 664 GLY 547 CA 13 0.780E+00 0.579E-02 -0.483E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9013 LYS 655 CA 664 GLY 547 C 14 0.826E+00 -0.236E-01 -0.306E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9014 LYS 655 CA 664 GLY 547 O 15 0.820E+00 0.210E-01 -0.334E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9015 LYS 655 CA 664 ILE 548 N 17 0.904E+00 0.158E-01 -0.219E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9016 LYS 655 CA 664 ILE 548 CA 18 0.992E+00 0.309E-02 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9017 LYS 655 CA 664 ILE 548 CG1 22 0.983E+00 -0.677E-03 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9018 LYS 655 CA 664 GLN 550 CB 38 0.993E+00 0.970E-03 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9019 LYS 655 CA 664 GLN 550 CG 39 0.103E+01 0.576E-03 -0.930E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9020 LYS 655 CA 664 GLN 550 NE2 42 0.104E+01 0.249E-01 -0.926E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9021 LYS 655 CA 664 GLN 551 N 46 0.100E+01 0.115E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9022 LYS 655 CA 664 GLN 551 CA 47 0.100E+01 -0.111E-02 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9023 LYS 655 CA 664 GLN 551 CB 50 0.915E+00 0.110E-02 -0.187E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9024 LYS 655 CA 664 GLN 551 CG 51 0.927E+00 0.673E-03 -0.172E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9025 LYS 655 CA 664 GLN 551 CD 52 0.895E+00 -0.238E-01 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9026 LYS 655 CA 664 GLN 551 OE1 53 0.921E+00 0.213E-01 -0.166E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9027 LYS 655 CA 664 GLN 551 NE2 54 0.866E+00 0.331E-01 -0.282E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9028 LYS 655 CA 664 ASN 554 ND2 88 0.104E+01 0.222E-01 -0.952E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9029 LYS 655 C 665 SER 546 N 4 0.102E+01 -0.295E+00 -0.965E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9030 LYS 655 C 665 SER 546 CA 5 0.103E+01 0.631E-01 -0.819E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9031 LYS 655 C 665 SER 546 C 6 0.930E+00 0.301E+00 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9032 LYS 655 C 665 SER 546 O 7 0.986E+00 -0.331E+00 -0.982E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9033 LYS 655 C 665 SER 546 CB 8 0.104E+01 0.771E-01 -0.755E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9034 LYS 655 C 665 SER 546 OG 9 0.929E+00 -0.399E+00 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9035 LYS 655 C 665 SER 546 HG 11 0.917E+00 0.284E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9036 LYS 655 C 665 GLY 547 N 12 0.799E+00 -0.299E+00 -0.405E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9037 LYS 655 C 665 GLY 547 CA 13 0.699E+00 -0.132E+00 -0.824E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9038 LYS 655 C 665 GLY 547 C 14 0.742E+00 0.532E+00 -0.512E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9039 LYS 655 C 665 GLY 547 O 15 0.753E+00 -0.453E+00 -0.492E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9040 LYS 655 C 665 ILE 548 N 17 0.804E+00 -0.357E+00 -0.391E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9041 LYS 655 C 665 ILE 548 CA 18 0.892E+00 -0.678E-01 -0.192E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9042 LYS 655 C 665 ILE 548 C 19 0.102E+01 0.310E+00 -0.782E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9043 LYS 655 C 665 ILE 548 CB 21 0.951E+00 0.373E-01 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9044 LYS 655 C 665 ILE 548 CG1 22 0.856E+00 0.156E-01 -0.246E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9045 LYS 655 C 665 ILE 548 CD1 24 0.944E+00 -0.615E-01 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9046 LYS 655 C 665 GLN 550 CB 38 0.959E+00 -0.190E-01 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9047 LYS 655 C 665 GLN 550 CG 39 0.101E+01 -0.110E-01 -0.922E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9048 LYS 655 C 665 GLN 551 N 46 0.965E+00 -0.228E+00 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9049 LYS 655 C 665 GLN 551 CA 47 0.970E+00 0.216E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9050 LYS 655 C 665 GLN 551 CB 50 0.870E+00 -0.222E-01 -0.224E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9051 LYS 655 C 665 GLN 551 CG 51 0.887E+00 -0.134E-01 -0.199E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9052 LYS 655 C 665 GLN 551 CD 52 0.879E+00 0.455E+00 -0.186E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9053 LYS 655 C 665 GLN 551 OE1 53 0.920E+00 -0.397E+00 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9054 LYS 655 C 665 GLN 551 NE2 54 0.855E+00 -0.629E+00 -0.270E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9055 LYS 655 O 666 SER 546 N 4 0.997E+00 0.235E+00 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9056 LYS 655 O 666 SER 546 CA 5 0.102E+01 -0.495E-01 -0.892E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9057 LYS 655 O 666 SER 546 C 6 0.938E+00 -0.230E+00 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9058 LYS 655 O 666 SER 546 O 7 0.101E+01 0.249E+00 -0.878E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9059 LYS 655 O 666 SER 546 CB 8 0.103E+01 -0.610E-01 -0.852E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9060 LYS 655 O 666 SER 546 OG 9 0.908E+00 0.321E+00 -0.182E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9061 LYS 655 O 666 SER 546 HG 11 0.884E+00 -0.234E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9062 LYS 655 O 666 GLY 547 N 12 0.805E+00 0.230E+00 -0.403E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9063 LYS 655 O 666 GLY 547 CA 13 0.723E+00 0.963E-01 -0.707E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9064 LYS 655 O 666 GLY 547 C 14 0.780E+00 -0.377E+00 -0.399E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9065 LYS 655 O 666 GLY 547 O 15 0.809E+00 0.310E+00 -0.327E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9066 LYS 655 O 666 ILE 548 N 17 0.831E+00 0.262E+00 -0.333E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9067 LYS 655 O 666 ILE 548 CA 18 0.926E+00 0.496E-01 -0.161E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9068 LYS 655 O 666 ILE 548 CB 21 0.970E+00 -0.281E-01 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9069 LYS 655 O 666 ILE 548 CG1 22 0.865E+00 -0.119E-01 -0.242E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9070 LYS 655 O 666 ILE 548 CD1 24 0.937E+00 0.483E-01 -0.150E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9071 LYS 655 O 666 GLN 550 CB 38 0.101E+01 0.136E-01 -0.931E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9072 LYS 655 O 666 GLN 551 N 46 0.104E+01 0.158E+00 -0.871E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9073 LYS 655 O 666 GLN 551 CB 50 0.953E+00 0.149E-01 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9074 LYS 655 O 666 GLN 551 CG 51 0.978E+00 0.895E-02 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9075 LYS 655 O 666 GLN 551 CD 52 0.982E+00 -0.297E+00 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9076 LYS 655 O 666 GLN 551 OE1 53 0.103E+01 0.261E+00 -0.780E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9077 LYS 655 O 666 GLN 551 NE2 54 0.962E+00 0.405E+00 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9078 LYS 655 CB 667 SER 546 C 6 0.949E+00 -0.434E-01 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9079 LYS 655 CB 667 SER 546 O 7 0.986E+00 0.493E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9080 LYS 655 CB 667 SER 546 OG 9 0.945E+00 0.579E-01 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9081 LYS 655 CB 667 SER 546 HG 11 0.955E+00 -0.397E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9082 LYS 655 CB 667 GLY 547 N 12 0.831E+00 0.416E-01 -0.361E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9083 LYS 655 CB 667 GLY 547 CA 13 0.718E+00 0.187E-01 -0.791E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9084 LYS 655 CB 667 GLY 547 C 14 0.775E+00 -0.731E-01 -0.445E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9085 LYS 655 CB 667 GLY 547 O 15 0.762E+00 0.661E-01 -0.517E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9086 LYS 655 CB 667 ILE 548 N 17 0.870E+00 0.465E-01 -0.275E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9087 LYS 655 CB 667 ILE 548 CA 18 0.968E+00 0.889E-02 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9088 LYS 655 CB 667 ILE 548 CG1 22 0.994E+00 -0.184E-02 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9089 LYS 655 CB 667 GLN 550 CA 35 0.102E+01 -0.300E-02 -0.991E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9090 LYS 655 CB 667 GLN 550 C 36 0.999E+00 -0.348E-01 -0.977E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9091 LYS 655 CB 667 GLN 550 CB 38 0.892E+00 0.317E-02 -0.217E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9092 LYS 655 CB 667 GLN 550 CG 39 0.911E+00 0.191E-02 -0.191E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9093 LYS 655 CB 667 GLN 550 CD 40 0.976E+00 -0.575E-01 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9094 LYS 655 CB 667 GLN 550 NE2 42 0.917E+00 0.837E-01 -0.201E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9095 LYS 655 CB 667 GLN 551 N 46 0.932E+00 0.357E-01 -0.182E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9096 LYS 655 CB 667 GLN 551 CA 47 0.942E+00 -0.336E-02 -0.157E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9097 LYS 655 CB 667 GLN 551 CB 50 0.875E+00 0.327E-02 -0.244E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9098 LYS 655 CB 667 GLN 551 CG 51 0.906E+00 0.193E-02 -0.198E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9099 LYS 655 CB 667 GLN 551 CD 52 0.870E+00 -0.689E-01 -0.223E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9100 LYS 655 CB 667 GLN 551 OE1 53 0.878E+00 0.638E-01 -0.222E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9101 LYS 655 CB 667 GLN 551 NE2 54 0.859E+00 0.929E-01 -0.296E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9102 LYS 655 CB 667 ASN 554 ND2 88 0.940E+00 0.713E-01 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9103 LYS 655 CG 668 SER 546 N 4 0.104E+01 -0.130E-01 -0.959E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9104 LYS 655 CG 668 SER 546 CA 5 0.102E+01 0.293E-02 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9105 LYS 655 CG 668 SER 546 C 6 0.918E+00 0.140E-01 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9106 LYS 655 CG 668 SER 546 O 7 0.965E+00 -0.155E-01 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9107 LYS 655 CG 668 SER 546 CB 8 0.989E+00 0.379E-02 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9108 LYS 655 CG 668 SER 546 OG 9 0.873E+00 -0.200E-01 -0.253E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9109 LYS 655 CG 668 SER 546 HG 11 0.881E+00 0.138E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9110 LYS 655 CG 668 GLY 547 N 12 0.803E+00 -0.135E-01 -0.443E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9111 LYS 655 CG 668 GLY 547 CA 13 0.709E+00 -0.586E-02 -0.856E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9112 LYS 655 CG 668 GLY 547 C 14 0.793E+00 0.215E-01 -0.389E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9113 LYS 655 CG 668 GLY 547 O 15 0.797E+00 -0.186E-01 -0.397E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9114 LYS 655 CG 668 ILE 548 N 17 0.889E+00 -0.137E-01 -0.242E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9115 LYS 655 CG 668 ILE 548 CA 18 0.100E+01 -0.257E-02 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9116 LYS 655 CG 668 ILE 548 CG1 22 0.103E+01 0.537E-03 -0.933E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9117 LYS 655 CG 668 GLN 550 CA 35 0.103E+01 0.898E-03 -0.912E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9118 LYS 655 CG 668 GLN 550 C 36 0.104E+01 0.101E-01 -0.788E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9119 LYS 655 CG 668 GLN 550 CB 38 0.895E+00 -0.963E-03 -0.212E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9120 LYS 655 CG 668 GLN 550 CG 39 0.896E+00 -0.601E-03 -0.211E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9121 LYS 655 CG 668 GLN 550 CD 40 0.971E+00 0.177E-01 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9122 LYS 655 CG 668 GLN 550 NE2 42 0.923E+00 -0.253E-01 -0.193E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9123 LYS 655 CG 668 GLN 551 N 46 0.982E+00 -0.101E-01 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9124 LYS 655 CG 668 GLN 551 CA 47 0.101E+01 0.922E-03 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9125 LYS 655 CG 668 GLN 551 CB 50 0.956E+00 -0.869E-03 -0.144E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9126 LYS 655 CG 668 GLN 551 CG 51 0.101E+01 -0.503E-03 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9127 LYS 655 CG 668 GLN 551 CD 52 0.983E+00 0.174E-01 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9128 LYS 655 CG 668 GLN 551 OE1 53 0.986E+00 -0.163E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9129 LYS 655 CG 668 GLN 551 NE2 54 0.986E+00 -0.229E-01 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9130 LYS 655 CG 668 ASN 554 ND2 88 0.999E+00 -0.199E-01 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9131 LYS 655 CD 669 SER 546 N 4 0.104E+01 0.187E-01 -0.920E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9132 LYS 655 CD 669 SER 546 CA 5 0.100E+01 -0.434E-02 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9133 LYS 655 CD 669 SER 546 C 6 0.904E+00 -0.208E-01 -0.178E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9134 LYS 655 CD 669 SER 546 O 7 0.940E+00 0.236E-01 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9135 LYS 655 CD 669 SER 546 CB 8 0.962E+00 -0.575E-02 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9136 LYS 655 CD 669 SER 546 OG 9 0.855E+00 0.302E-01 -0.287E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9137 LYS 655 CD 669 SER 546 HG 11 0.877E+00 -0.202E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9138 LYS 655 CD 669 GLY 547 N 12 0.803E+00 0.196E-01 -0.443E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9139 LYS 655 CD 669 GLY 547 CA 13 0.711E+00 0.848E-02 -0.841E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9140 LYS 655 CD 669 GLY 547 C 14 0.804E+00 -0.305E-01 -0.359E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9141 LYS 655 CD 669 GLY 547 O 15 0.799E+00 0.270E-01 -0.389E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9142 LYS 655 CD 669 ILE 548 N 17 0.913E+00 0.191E-01 -0.206E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9143 LYS 655 CD 669 ILE 548 CA 18 0.103E+01 0.359E-02 -0.903E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9144 LYS 655 CD 669 GLN 550 N 34 0.104E+01 0.134E-01 -0.926E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9145 LYS 655 CD 669 GLN 550 CA 35 0.982E+00 -0.140E-02 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9146 LYS 655 CD 669 GLN 550 C 36 0.994E+00 -0.156E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9147 LYS 655 CD 669 GLN 550 CB 38 0.840E+00 0.155E-02 -0.310E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9148 LYS 655 CD 669 GLN 550 CG 39 0.818E+00 0.102E-02 -0.365E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9149 LYS 655 CD 669 GLN 550 CD 40 0.882E+00 -0.300E-01 -0.206E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9150 LYS 655 CD 669 GLN 550 OE1 41 0.999E+00 0.232E-01 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9151 LYS 655 CD 669 GLN 550 NE2 42 0.829E+00 0.439E-01 -0.367E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9152 LYS 655 CD 669 GLN 551 N 46 0.959E+00 0.152E-01 -0.153E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9153 LYS 655 CD 669 GLN 551 CA 47 0.100E+01 -0.137E-02 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9154 LYS 655 CD 669 GLN 551 CB 50 0.966E+00 0.124E-02 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9155 LYS 655 CD 669 GLN 551 CG 51 0.103E+01 0.706E-03 -0.913E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9156 LYS 655 CD 669 GLN 551 CD 52 0.100E+01 -0.245E-01 -0.955E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9157 LYS 655 CD 669 GLN 551 OE1 53 0.987E+00 0.236E-01 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9158 LYS 655 CD 669 GLN 551 NE2 54 0.102E+01 0.317E-01 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9159 LYS 655 CD 669 ASN 554 ND2 88 0.940E+00 0.317E-01 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9160 LYS 655 CE 670 SER 546 C 6 0.104E+01 -0.246E-01 -0.779E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9161 LYS 655 CE 670 SER 546 OG 9 0.995E+00 0.347E-01 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9162 LYS 655 CE 670 SER 546 HG 11 0.102E+01 -0.232E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9163 LYS 655 CE 670 GLY 547 N 12 0.943E+00 0.220E-01 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9164 LYS 655 CE 670 GLY 547 CA 13 0.845E+00 0.905E-02 -0.300E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9165 LYS 655 CE 670 GLY 547 C 14 0.930E+00 -0.349E-01 -0.150E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9166 LYS 655 CE 670 GLY 547 O 15 0.911E+00 0.316E-01 -0.178E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9167 LYS 655 CE 670 ILE 548 N 17 0.104E+01 0.228E-01 -0.920E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9168 LYS 655 CE 670 GLN 550 CB 38 0.930E+00 0.192E-02 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9169 LYS 655 CE 670 GLN 550 CG 39 0.895E+00 0.128E-02 -0.213E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9170 LYS 655 CE 670 GLN 550 CD 40 0.938E+00 -0.396E-01 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9171 LYS 655 CE 670 GLN 550 NE2 42 0.868E+00 0.593E-01 -0.279E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9172 LYS 655 CE 670 GLN 551 N 46 0.104E+01 0.196E-01 -0.936E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9173 LYS 655 CE 670 GLN 551 CB 50 0.105E+01 0.161E-02 -0.829E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9174 LYS 655 CE 670 GLN 551 OE1 53 0.103E+01 0.325E-01 -0.863E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9175 LYS 655 CE 670 ASN 554 ND2 88 0.970E+00 0.440E-01 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9176 LYS 655 NZ 671 SER 546 OG 9 0.101E+01 0.121E+00 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9177 LYS 655 NZ 671 SER 546 HG 11 0.105E+01 -0.804E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9178 LYS 655 NZ 671 GLY 547 N 12 0.979E+00 0.742E-01 -0.147E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9179 LYS 655 NZ 671 GLY 547 CA 13 0.889E+00 0.297E-01 -0.242E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9180 LYS 655 NZ 671 GLY 547 C 14 0.980E+00 -0.115E+00 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9181 LYS 655 NZ 671 GLY 547 O 15 0.959E+00 0.104E+00 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9182 LYS 655 NZ 671 GLN 550 CB 38 0.927E+00 0.690E-02 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9183 LYS 655 NZ 671 GLN 550 CG 39 0.869E+00 0.478E-02 -0.276E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9184 LYS 655 NZ 671 GLN 550 CD 40 0.900E+00 -0.151E+00 -0.199E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9185 LYS 655 NZ 671 GLN 550 OE1 41 0.101E+01 0.119E+00 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9186 LYS 655 NZ 671 GLN 550 NE2 42 0.829E+00 0.229E+00 -0.400E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9187 LYS 655 NZ 671 ASN 554 ND2 88 0.968E+00 0.158E+00 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9188 LYS 655 HZ1 673 SER 546 C 6 0.996E+00 0.110E+00 -0.305E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9189 LYS 655 HZ1 673 SER 546 O 7 0.100E+01 -0.131E+00 -0.242E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9190 LYS 655 HZ1 673 SER 546 CB 8 0.104E+01 0.313E-01 -0.258E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9191 LYS 655 HZ1 673 SER 546 OG 9 0.961E+00 -0.154E+00 -0.369E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9192 LYS 655 HZ1 673 SER 546 HG 11 0.101E+01 0.100E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9193 LYS 655 HZ1 673 GLY 547 N 12 0.924E+00 -0.957E-01 -0.547E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9194 LYS 655 HZ1 673 GLY 547 CA 13 0.831E+00 -0.392E-01 -0.101E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9195 LYS 655 HZ1 673 GLY 547 C 14 0.919E+00 0.150E+00 -0.493E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9196 LYS 655 HZ1 673 GLY 547 O 15 0.892E+00 -0.138E+00 -0.496E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9197 LYS 655 HZ1 673 ILE 548 N 17 0.104E+01 -0.961E-01 -0.263E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9198 LYS 655 HZ1 673 GLN 550 CA 35 0.977E+00 0.869E-02 -0.385E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9199 LYS 655 HZ1 673 GLN 550 C 36 0.989E+00 0.966E-01 -0.318E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9200 LYS 655 HZ1 673 GLN 550 O 37 0.103E+01 -0.123E+00 -0.207E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9201 LYS 655 HZ1 673 GLN 550 CB 38 0.838E+00 -0.959E-02 -0.965E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9202 LYS 655 HZ1 673 GLN 550 CG 39 0.775E+00 -0.687E-02 -0.154E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9203 LYS 655 HZ1 673 GLN 550 CD 40 0.800E+00 0.217E+00 -0.114E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9204 LYS 655 HZ1 673 GLN 550 OE1 41 0.906E+00 -0.166E+00 -0.450E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9205 LYS 655 HZ1 673 GLN 550 NE2 42 0.727E+00 -0.342E+00 -0.231E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9206 LYS 655 HZ1 673 GLN 551 N 46 0.985E+00 -0.897E-01 -0.372E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9207 LYS 655 HZ1 673 GLN 551 CA 47 0.103E+01 0.804E-02 -0.281E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9208 LYS 655 HZ1 673 GLN 551 CB 50 0.103E+01 -0.690E-02 -0.273E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9209 LYS 655 HZ1 673 GLN 551 OE1 53 0.101E+01 -0.139E+00 -0.228E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9210 LYS 655 HZ1 673 ASN 554 CG 86 0.974E+00 0.138E+00 -0.348E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9211 LYS 655 HZ1 673 ASN 554 OD1 87 0.987E+00 -0.122E+00 -0.270E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9212 LYS 655 HZ1 673 ASN 554 ND2 88 0.876E+00 -0.218E+00 -0.754E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9213 LYS 655 HZ2 674 SER 546 OG 9 0.981E+00 -0.149E+00 -0.327E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9214 LYS 655 HZ2 674 SER 546 HG 11 0.101E+01 0.990E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9215 LYS 655 HZ2 674 GLY 547 N 12 0.980E+00 -0.874E-01 -0.384E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9216 LYS 655 HZ2 674 GLY 547 CA 13 0.903E+00 -0.342E-01 -0.618E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9217 LYS 655 HZ2 674 GLY 547 C 14 0.101E+01 0.130E+00 -0.285E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9218 LYS 655 HZ2 674 GLY 547 O 15 0.996E+00 -0.116E+00 -0.254E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9219 LYS 655 HZ2 674 GLN 550 CB 38 0.956E+00 -0.776E-02 -0.439E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9220 LYS 655 HZ2 674 GLN 550 CG 39 0.891E+00 -0.543E-02 -0.671E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9221 LYS 655 HZ2 674 GLN 550 CD 40 0.930E+00 0.169E+00 -0.458E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9222 LYS 655 HZ2 674 GLN 550 OE1 41 0.103E+01 -0.136E+00 -0.203E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9223 LYS 655 HZ2 674 GLN 550 NE2 42 0.870E+00 -0.249E+00 -0.782E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9224 LYS 655 HZ2 674 ASN 554 ND2 88 0.104E+01 -0.168E+00 -0.275E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9225 LYS 655 HZ3 675 GLY 547 CA 13 0.985E+00 -0.299E-01 -0.367E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9226 LYS 655 HZ3 675 GLY 547 O 15 0.104E+01 -0.109E+00 -0.194E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9227 LYS 655 HZ3 675 GLN 550 CB 38 0.100E+01 -0.721E-02 -0.326E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9228 LYS 655 HZ3 675 GLN 550 CG 39 0.943E+00 -0.496E-02 -0.476E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9229 LYS 655 HZ3 675 GLN 550 CD 40 0.961E+00 0.161E+00 -0.377E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9230 LYS 655 HZ3 675 GLN 550 NE2 42 0.881E+00 -0.244E+00 -0.729E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9231 LYS 655 HZ3 675 ASN 554 ND2 88 0.101E+01 -0.175E+00 -0.324E-04
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9232 ASN 656 N 676 SER 546 N 4 0.962E+00 0.190E+00 -0.164E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9233 ASN 656 N 676 SER 546 CA 5 0.976E+00 -0.404E-01 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9234 ASN 656 N 676 SER 546 C 6 0.869E+00 -0.199E+00 -0.245E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9235 ASN 656 N 676 SER 546 O 7 0.918E+00 0.219E+00 -0.183E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9236 ASN 656 N 676 SER 546 CB 8 0.101E+01 -0.480E-01 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9237 ASN 656 N 676 SER 546 OG 9 0.904E+00 0.247E+00 -0.223E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9238 ASN 656 N 676 SER 546 HG 11 0.896E+00 -0.175E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9239 ASN 656 N 676 GLY 547 N 12 0.740E+00 0.204E+00 -0.785E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9240 ASN 656 N 676 GLY 547 CA 13 0.631E+00 0.962E-01 -0.185E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9241 ASN 656 N 676 GLY 547 C 14 0.651E+00 -0.406E+00 -0.136E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9242 ASN 656 N 676 GLY 547 O 15 0.656E+00 0.351E+00 -0.136E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9243 ASN 656 N 676 ILE 548 N 17 0.707E+00 0.268E+00 -0.103E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9244 ASN 656 N 676 ILE 548 CA 18 0.783E+00 0.502E-01 -0.515E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9245 ASN 656 N 676 ILE 548 C 19 0.908E+00 -0.218E+00 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9246 ASN 656 N 676 ILE 548 O 20 0.952E+00 0.221E+00 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9247 ASN 656 N 676 ILE 548 CB 21 0.843E+00 -0.268E-01 -0.332E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9248 ASN 656 N 676 ILE 548 CG1 22 0.750E+00 -0.117E-01 -0.666E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9249 ASN 656 N 676 ILE 548 CG2 23 0.950E+00 0.464E-01 -0.162E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9250 ASN 656 N 676 ILE 548 CD1 24 0.845E+00 0.436E-01 -0.328E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9251 ASN 656 N 676 VAL 549 N 26 0.985E+00 0.152E+00 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9252 ASN 656 N 676 GLN 550 N 34 0.100E+01 0.128E+00 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9253 ASN 656 N 676 GLN 550 CA 35 0.990E+00 -0.124E-01 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9254 ASN 656 N 676 GLN 550 C 36 0.963E+00 -0.147E+00 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9255 ASN 656 N 676 GLN 550 O 37 0.105E+01 0.174E+00 -0.822E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9256 ASN 656 N 676 GLN 550 CB 38 0.890E+00 0.127E-01 -0.240E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9257 ASN 656 N 676 GLN 550 CG 39 0.957E+00 0.706E-02 -0.156E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9258 ASN 656 N 676 GLN 550 CD 40 0.104E+01 -0.208E+00 -0.827E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9259 ASN 656 N 676 GLN 550 NE2 42 0.101E+01 0.289E+00 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9260 ASN 656 N 676 GLN 551 N 46 0.865E+00 0.160E+00 -0.310E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9261 ASN 656 N 676 GLN 551 CA 47 0.862E+00 -0.154E-01 -0.291E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9262 ASN 656 N 676 GLN 551 C 48 0.100E+01 -0.139E+00 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9263 ASN 656 N 676 GLN 551 CB 50 0.753E+00 0.169E-01 -0.654E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9264 ASN 656 N 676 GLN 551 CG 51 0.764E+00 0.103E-01 -0.597E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9265 ASN 656 N 676 GLN 551 CD 52 0.764E+00 -0.344E+00 -0.530E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9266 ASN 656 N 676 GLN 551 OE1 53 0.814E+00 0.288E+00 -0.376E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9267 ASN 656 N 676 GLN 551 NE2 54 0.741E+00 0.480E+00 -0.780E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9268 ASN 656 N 676 ASN 554 ND2 88 0.975E+00 0.268E+00 -0.151E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9269 ASN 656 CA 677 SER 546 N 4 0.874E+00 -0.231E-01 -0.268E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9270 ASN 656 CA 677 SER 546 CA 5 0.905E+00 0.476E-02 -0.199E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9271 ASN 656 CA 677 SER 546 C 6 0.807E+00 0.236E-01 -0.351E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9272 ASN 656 CA 677 SER 546 O 7 0.863E+00 -0.253E-01 -0.245E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9273 ASN 656 CA 677 SER 546 CB 8 0.950E+00 0.549E-02 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9274 ASN 656 CA 677 SER 546 OG 9 0.850E+00 -0.286E-01 -0.297E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9275 ASN 656 CA 677 SER 546 HG 11 0.833E+00 0.206E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9276 ASN 656 CA 677 GLY 547 N 12 0.676E+00 -0.254E-01 -0.123E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9277 ASN 656 CA 677 GLY 547 CA 13 0.581E+00 -0.120E-01 -0.274E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9278 ASN 656 CA 677 GLY 547 C 14 0.591E+00 0.521E-01 -0.220E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9279 ASN 656 CA 677 GLY 547 O 15 0.614E+00 -0.421E-01 -0.186E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9280 ASN 656 CA 677 ILE 548 N 17 0.623E+00 -0.362E-01 -0.200E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9281 ASN 656 CA 677 ILE 548 CA 18 0.693E+00 -0.660E-02 -0.978E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9282 ASN 656 CA 677 ILE 548 C 19 0.829E+00 0.265E-01 -0.297E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9283 ASN 656 CA 677 ILE 548 O 20 0.881E+00 -0.261E-01 -0.217E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9284 ASN 656 CA 677 ILE 548 CB 21 0.733E+00 0.360E-02 -0.701E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9285 ASN 656 CA 677 ILE 548 CG1 22 0.627E+00 0.174E-02 -0.176E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9286 ASN 656 CA 677 ILE 548 CG2 23 0.840E+00 -0.592E-02 -0.310E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9287 ASN 656 CA 677 ILE 548 CD1 24 0.711E+00 -0.623E-02 -0.843E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9288 ASN 656 CA 677 VAL 549 N 26 0.906E+00 -0.181E-01 -0.215E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9289 ASN 656 CA 677 VAL 549 CA 27 0.104E+01 -0.170E-02 -0.875E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9290 ASN 656 CA 677 VAL 549 C 28 0.104E+01 0.146E-01 -0.767E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9291 ASN 656 CA 677 GLN 550 N 34 0.959E+00 -0.143E-01 -0.153E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9292 ASN 656 CA 677 GLN 550 CA 35 0.969E+00 0.134E-02 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9293 ASN 656 CA 677 GLN 550 C 36 0.949E+00 0.157E-01 -0.133E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9294 ASN 656 CA 677 GLN 550 O 37 0.104E+01 -0.184E-01 -0.784E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9295 ASN 656 CA 677 GLN 550 CB 38 0.879E+00 -0.135E-02 -0.237E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9296 ASN 656 CA 677 GLN 550 CG 39 0.961E+00 -0.734E-03 -0.139E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9297 ASN 656 CA 677 GLN 550 NE2 42 0.104E+01 -0.289E-01 -0.951E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9298 ASN 656 CA 677 GLN 551 N 46 0.844E+00 -0.175E-01 -0.329E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9299 ASN 656 CA 677 GLN 551 CA 47 0.847E+00 0.166E-02 -0.295E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9300 ASN 656 CA 677 GLN 551 C 48 0.978E+00 0.150E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9301 ASN 656 CA 677 GLN 551 CB 50 0.727E+00 -0.189E-02 -0.738E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9302 ASN 656 CA 677 GLN 551 CG 51 0.742E+00 -0.114E-02 -0.650E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9303 ASN 656 CA 677 GLN 551 CD 52 0.769E+00 0.355E-01 -0.466E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9304 ASN 656 CA 677 GLN 551 OE1 53 0.834E+00 -0.290E-01 -0.302E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9305 ASN 656 CA 677 GLN 551 NE2 54 0.753E+00 -0.488E-01 -0.650E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9306 ASN 656 CA 677 GLN 552 N 58 0.102E+01 -0.130E-01 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9307 ASN 656 CA 677 ASN 554 ND2 88 0.101E+01 -0.268E-01 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9308 ASN 656 C 678 SER 546 N 4 0.966E+00 -0.270E+00 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9309 ASN 656 C 678 SER 546 CA 5 0.101E+01 0.549E-01 -0.897E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9310 ASN 656 C 678 SER 546 C 6 0.926E+00 0.258E+00 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9311 ASN 656 C 678 SER 546 O 7 0.989E+00 -0.280E+00 -0.966E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9312 ASN 656 C 678 SER 546 OG 9 0.960E+00 -0.323E+00 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9313 ASN 656 C 678 SER 546 HG 11 0.932E+00 0.236E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9314 ASN 656 C 678 GLY 547 N 12 0.795E+00 -0.257E+00 -0.417E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9315 ASN 656 C 678 GLY 547 CA 13 0.712E+00 -0.109E+00 -0.739E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9316 ASN 656 C 678 GLY 547 C 14 0.716E+00 0.484E+00 -0.634E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9317 ASN 656 C 678 GLY 547 O 15 0.744E+00 -0.395E+00 -0.531E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9318 ASN 656 C 678 ILE 548 N 17 0.729E+00 -0.363E+00 -0.700E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9319 ASN 656 C 678 ILE 548 CA 18 0.785E+00 -0.717E-01 -0.412E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9320 ASN 656 C 678 ILE 548 C 19 0.929E+00 0.302E+00 -0.134E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9321 ASN 656 C 678 ILE 548 O 20 0.979E+00 -0.303E+00 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9322 ASN 656 C 678 ILE 548 CB 21 0.802E+00 0.419E-01 -0.362E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9323 ASN 656 C 678 ILE 548 CG1 22 0.678E+00 0.204E-01 -0.987E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9324 ASN 656 C 678 ILE 548 CG2 23 0.899E+00 -0.727E-01 -0.184E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9325 ASN 656 C 678 ILE 548 CD1 24 0.737E+00 -0.797E-01 -0.602E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9326 ASN 656 C 678 VAL 549 N 26 0.101E+01 -0.210E+00 -0.997E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9327 ASN 656 C 678 GLN 550 CB 38 0.102E+01 -0.147E-01 -0.856E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9328 ASN 656 C 678 GLN 551 N 46 0.971E+00 -0.192E+00 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9329 ASN 656 C 678 GLN 551 CA 47 0.965E+00 0.185E-01 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9330 ASN 656 C 678 GLN 551 CB 50 0.834E+00 -0.203E-01 -0.288E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9331 ASN 656 C 678 GLN 551 CG 51 0.831E+00 -0.127E-01 -0.294E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9332 ASN 656 C 678 GLN 551 CD 52 0.858E+00 0.403E+00 -0.216E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9333 ASN 656 C 678 GLN 551 OE1 53 0.934E+00 -0.330E+00 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9334 ASN 656 C 678 GLN 551 NE2 54 0.825E+00 -0.569E+00 -0.336E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9335 ASN 656 O 679 SER 546 N 4 0.935E+00 0.241E+00 -0.165E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9336 ASN 656 O 679 SER 546 CA 5 0.997E+00 -0.477E-01 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9337 ASN 656 O 679 SER 546 C 6 0.925E+00 -0.219E+00 -0.144E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9338 ASN 656 O 679 SER 546 O 7 0.100E+01 0.234E+00 -0.917E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9339 ASN 656 O 679 SER 546 CB 8 0.105E+01 -0.555E-01 -0.779E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9340 ASN 656 O 679 SER 546 OG 9 0.939E+00 0.284E+00 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9341 ASN 656 O 679 SER 546 HG 11 0.899E+00 -0.212E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9342 ASN 656 O 679 GLY 547 N 12 0.795E+00 0.218E+00 -0.434E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9343 ASN 656 O 679 GLY 547 CA 13 0.732E+00 0.875E-01 -0.656E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9344 ASN 656 O 679 GLY 547 C 14 0.745E+00 -0.381E+00 -0.523E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9345 ASN 656 O 679 GLY 547 O 15 0.791E+00 0.300E+00 -0.373E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9346 ASN 656 O 679 ILE 548 N 17 0.744E+00 0.297E+00 -0.647E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9347 ASN 656 O 679 ILE 548 CA 18 0.803E+00 0.585E-01 -0.378E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9348 ASN 656 O 679 ILE 548 C 19 0.952E+00 -0.247E+00 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9349 ASN 656 O 679 ILE 548 O 20 0.101E+01 0.245E+00 -0.844E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9350 ASN 656 O 679 ILE 548 CB 21 0.800E+00 -0.358E-01 -0.387E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9351 ASN 656 O 679 ILE 548 CG1 22 0.664E+00 -0.180E-01 -0.117E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9352 ASN 656 O 679 ILE 548 CG2 23 0.900E+00 0.616E-01 -0.191E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9353 ASN 656 O 679 ILE 548 CD1 24 0.700E+00 0.746E-01 -0.855E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9354 ASN 656 O 679 VAL 549 N 26 0.102E+01 0.175E+00 -0.951E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9355 ASN 656 O 679 GLN 551 N 46 0.103E+01 0.148E+00 -0.898E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9356 ASN 656 O 679 GLN 551 CA 47 0.104E+01 -0.141E-01 -0.810E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9357 ASN 656 O 679 GLN 551 CB 50 0.908E+00 0.149E-01 -0.181E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9358 ASN 656 O 679 GLN 551 CG 51 0.914E+00 0.925E-02 -0.174E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9359 ASN 656 O 679 GLN 551 CD 52 0.955E+00 -0.289E+00 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9360 ASN 656 O 679 GLN 551 OE1 53 0.103E+01 0.241E+00 -0.753E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9361 ASN 656 O 679 GLN 551 NE2 54 0.928E+00 0.399E+00 -0.172E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9362 ASN 656 CB 680 SER 546 N 4 0.838E+00 0.517E-01 -0.343E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9363 ASN 656 CB 680 SER 546 CA 5 0.865E+00 -0.107E-01 -0.261E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9364 ASN 656 CB 680 SER 546 C 6 0.756E+00 -0.553E-01 -0.516E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9365 ASN 656 CB 680 SER 546 O 7 0.798E+00 0.604E-01 -0.392E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9366 ASN 656 CB 680 SER 546 CB 8 0.931E+00 -0.118E-01 -0.168E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9367 ASN 656 CB 680 SER 546 OG 9 0.848E+00 0.600E-01 -0.301E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9368 ASN 656 CB 680 SER 546 HG 11 0.839E+00 -0.425E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9369 ASN 656 CB 680 GLY 547 N 12 0.635E+00 0.602E-01 -0.179E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9370 ASN 656 CB 680 GLY 547 CA 13 0.530E+00 0.309E-01 -0.461E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9371 ASN 656 CB 680 GLY 547 C 14 0.503E+00 -0.157E+00 -0.544E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9372 ASN 656 CB 680 GLY 547 O 15 0.513E+00 0.131E+00 -0.528E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9373 ASN 656 CB 680 ILE 548 N 17 0.526E+00 0.110E+00 -0.528E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9374 ASN 656 CB 680 ILE 548 CA 18 0.574E+00 0.204E-01 -0.293E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9375 ASN 656 CB 680 ILE 548 C 19 0.708E+00 -0.737E-01 -0.761E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9376 ASN 656 CB 680 ILE 548 O 20 0.749E+00 0.723E-01 -0.573E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9377 ASN 656 CB 680 ILE 548 CB 21 0.621E+00 -0.105E-01 -0.186E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9378 ASN 656 CB 680 ILE 548 CG1 22 0.524E+00 -0.539E-02 -0.488E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9379 ASN 656 CB 680 ILE 548 CG2 23 0.716E+00 0.165E-01 -0.806E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9380 ASN 656 CB 680 ILE 548 CD1 24 0.625E+00 0.168E-01 -0.179E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9381 ASN 656 CB 680 VAL 549 N 26 0.798E+00 0.468E-01 -0.461E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9382 ASN 656 CB 680 VAL 549 CA 27 0.929E+00 0.420E-02 -0.170E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9383 ASN 656 CB 680 VAL 549 C 28 0.932E+00 -0.360E-01 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9384 ASN 656 CB 680 VAL 549 O 29 0.102E+01 0.285E-01 -0.917E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9385 ASN 656 CB 680 VAL 549 CB 30 0.102E+01 -0.276E-01 -0.950E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9386 ASN 656 CB 680 GLN 550 N 34 0.861E+00 0.353E-01 -0.292E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9387 ASN 656 CB 680 GLN 550 CA 35 0.876E+00 -0.328E-02 -0.242E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9388 ASN 656 CB 680 GLN 550 C 36 0.843E+00 -0.397E-01 -0.270E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9389 ASN 656 CB 680 GLN 550 O 37 0.937E+00 0.451E-01 -0.150E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9390 ASN 656 CB 680 GLN 550 CB 38 0.805E+00 0.328E-02 -0.402E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9391 ASN 656 CB 680 GLN 550 CG 39 0.905E+00 0.169E-02 -0.199E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9392 ASN 656 CB 680 GLN 550 CD 40 0.996E+00 -0.485E-01 -0.993E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9393 ASN 656 CB 680 GLN 550 NE2 42 0.980E+00 0.658E-01 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9394 ASN 656 CB 680 GLN 551 N 46 0.729E+00 0.475E-01 -0.792E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9395 ASN 656 CB 680 GLN 551 CA 47 0.721E+00 -0.464E-02 -0.774E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9396 ASN 656 CB 680 GLN 551 C 48 0.843E+00 -0.396E-01 -0.269E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9397 ASN 656 CB 680 GLN 551 O 49 0.922E+00 0.462E-01 -0.165E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9398 ASN 656 CB 680 GLN 551 CB 50 0.591E+00 0.601E-02 -0.249E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9399 ASN 656 CB 680 GLN 551 CG 51 0.600E+00 0.362E-02 -0.227E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9400 ASN 656 CB 680 GLN 551 CD 52 0.640E+00 -0.106E+00 -0.138E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9401 ASN 656 CB 680 GLN 551 OE1 53 0.715E+00 0.800E-01 -0.758E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9402 ASN 656 CB 680 GLN 551 NE2 54 0.631E+00 0.144E+00 -0.186E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9403 ASN 656 CB 680 GLN 552 N 58 0.883E+00 0.339E-01 -0.251E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9404 ASN 656 CB 680 GLN 552 CA 59 0.101E+01 -0.262E-02 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9405 ASN 656 CB 680 GLN 552 CG 63 0.101E+01 0.142E-02 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9406 ASN 656 CB 680 ASN 554 CG 86 0.103E+01 -0.403E-01 -0.801E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9407 ASN 656 CB 680 ASN 554 ND2 88 0.914E+00 0.648E-01 -0.204E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9408 ASN 656 CB 680 LEU 555 CG 97 0.105E+01 -0.130E-01 -0.833E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9409 ASN 656 CB 680 LEU 555 CD1 98 0.102E+01 0.863E-02 -0.970E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9410 ASN 656 CG 681 SER 546 N 4 0.749E+00 -0.392E+00 -0.598E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9411 ASN 656 CG 681 SER 546 CA 5 0.755E+00 0.843E-01 -0.522E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9412 ASN 656 CG 681 SER 546 C 6 0.634E+00 0.486E+00 -0.130E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9413 ASN 656 CG 681 SER 546 O 7 0.665E+00 -0.530E+00 -0.104E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9414 ASN 656 CG 681 SER 546 CB 8 0.819E+00 0.908E-01 -0.321E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9415 ASN 656 CG 681 SER 546 OG 9 0.745E+00 -0.468E+00 -0.577E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9416 ASN 656 CG 681 SER 546 HG 11 0.751E+00 0.322E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9417 ASN 656 CG 681 GLY 547 N 12 0.518E+00 -0.586E+00 -0.512E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9418 ASN 656 CG 681 GLY 547 CA 13 0.397E+00 -0.390E+00 -0.150E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9419 ASN 656 CG 681 GLY 547 C 14 0.368E+00 0.214E+01 -0.132E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9420 ASN 656 CG 681 GLY 547 O 15 0.369E+00 -0.186E+01 -0.211E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9421 ASN 656 CG 681 ILE 548 N 17 0.417E+00 -0.120E+01 -0.150E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9422 ASN 656 CG 681 ILE 548 CA 18 0.482E+00 -0.190E+00 -0.684E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9423 ASN 656 CG 681 ILE 548 C 19 0.602E+00 0.636E+00 -0.175E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9424 ASN 656 CG 681 ILE 548 O 20 0.645E+00 -0.600E+00 -0.123E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9425 ASN 656 CG 681 ILE 548 CB 21 0.559E+00 0.816E-01 -0.303E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9426 ASN 656 CG 681 ILE 548 CG1 22 0.495E+00 0.383E-01 -0.592E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9427 ASN 656 CG 681 ILE 548 CG2 23 0.665E+00 -0.118E+00 -0.111E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9428 ASN 656 CG 681 ILE 548 CD1 24 0.620E+00 -0.106E+00 -0.166E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9429 ASN 656 CG 681 VAL 549 N 26 0.686E+00 -0.386E+00 -0.101E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9430 ASN 656 CG 681 VAL 549 CA 27 0.809E+00 -0.328E-01 -0.345E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9431 ASN 656 CG 681 VAL 549 C 28 0.799E+00 0.288E+00 -0.330E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9432 ASN 656 CG 681 VAL 549 O 29 0.884E+00 -0.220E+00 -0.188E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9433 ASN 656 CG 681 VAL 549 CB 30 0.903E+00 0.208E+00 -0.179E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9434 ASN 656 CG 681 VAL 549 CG1 31 0.103E+01 -0.387E-01 -0.809E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9435 ASN 656 CG 681 VAL 549 CG2 32 0.957E+00 -0.432E-01 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9436 ASN 656 CG 681 GLN 550 N 34 0.720E+00 -0.302E+00 -0.755E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9437 ASN 656 CG 681 GLN 550 CA 35 0.728E+00 0.283E-01 -0.647E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9438 ASN 656 CG 681 GLN 550 C 36 0.700E+00 0.345E+00 -0.723E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9439 ASN 656 CG 681 GLN 550 O 37 0.797E+00 -0.366E+00 -0.351E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9440 ASN 656 CG 681 GLN 550 CB 38 0.652E+00 -0.303E-01 -0.124E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9441 ASN 656 CG 681 GLN 550 CG 39 0.752E+00 -0.144E-01 -0.532E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9442 ASN 656 CG 681 GLN 550 CD 40 0.844E+00 0.392E+00 -0.237E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9443 ASN 656 CG 681 GLN 550 OE1 41 0.950E+00 -0.304E+00 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9444 ASN 656 CG 681 GLN 550 NE2 42 0.832E+00 -0.531E+00 -0.320E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9445 ASN 656 CG 681 GLN 551 N 46 0.593E+00 -0.448E+00 -0.237E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9446 ASN 656 CG 681 GLN 551 CA 47 0.601E+00 0.416E-01 -0.200E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9447 ASN 656 CG 681 GLN 551 C 48 0.733E+00 0.316E+00 -0.553E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9448 ASN 656 CG 681 GLN 551 O 49 0.818E+00 -0.350E+00 -0.300E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9449 ASN 656 CG 681 GLN 551 CB 50 0.486E+00 -0.582E-01 -0.650E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9450 ASN 656 CG 681 GLN 551 CG 51 0.529E+00 -0.298E-01 -0.412E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9451 ASN 656 CG 681 GLN 551 CD 52 0.576E+00 0.823E+00 -0.226E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9452 ASN 656 CG 681 GLN 551 OE1 53 0.634E+00 -0.631E+00 -0.137E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9453 ASN 656 CG 681 GLN 551 NE2 54 0.596E+00 -0.101E+01 -0.231E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9454 ASN 656 CG 681 GLN 552 N 58 0.773E+00 -0.265E+00 -0.493E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9455 ASN 656 CG 681 GLN 552 CA 59 0.911E+00 0.192E-01 -0.169E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9456 ASN 656 CG 681 GLN 552 C 60 0.102E+01 0.183E+00 -0.773E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9457 ASN 656 CG 681 GLN 552 CB 62 0.952E+00 -0.155E-01 -0.130E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9458 ASN 656 CG 681 GLN 552 CG 63 0.931E+00 -0.100E-01 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9459 ASN 656 CG 681 GLN 552 CD 64 0.990E+00 0.304E+00 -0.914E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9460 ASN 656 CG 681 GLN 552 OE1 65 0.101E+01 -0.276E+00 -0.825E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9461 ASN 656 CG 681 GLN 552 NE2 66 0.104E+01 -0.375E+00 -0.838E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9462 ASN 656 CG 681 ASN 553 N 70 0.101E+01 -0.192E+00 -0.103E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9463 ASN 656 CG 681 ASN 554 N 81 0.102E+01 -0.187E+00 -0.932E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9464 ASN 656 CG 681 ASN 554 CB 85 0.939E+00 -0.464E-01 -0.142E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9465 ASN 656 CG 681 ASN 554 CG 86 0.906E+00 0.305E+00 -0.155E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9466 ASN 656 CG 681 ASN 554 OD1 87 0.100E+01 -0.236E+00 -0.888E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9467 ASN 656 CG 681 ASN 554 ND2 88 0.783E+00 -0.522E+00 -0.457E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9468 ASN 656 CG 681 LEU 555 CG 97 0.980E+00 0.888E-01 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9469 ASN 656 CG 681 LEU 555 CD1 98 0.968E+00 -0.580E-01 -0.118E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9470 ASN 656 CG 681 LEU 555 CD2 99 0.101E+01 -0.543E-01 -0.906E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9471 ASN 656 OD1 682 SER 546 N 4 0.660E+00 0.451E+00 -0.131E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9472 ASN 656 OD1 682 SER 546 CA 5 0.661E+00 -0.981E-01 -0.120E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9473 ASN 656 OD1 682 SER 546 C 6 0.544E+00 -0.609E+00 -0.334E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9474 ASN 656 OD1 682 SER 546 O 7 0.587E+00 0.619E+00 -0.220E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9475 ASN 656 OD1 682 SER 546 CB 8 0.712E+00 -0.106E+00 -0.774E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9476 ASN 656 OD1 682 SER 546 OG 9 0.631E+00 0.586E+00 -0.160E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9477 ASN 656 OD1 682 SER 546 HG 11 0.637E+00 -0.400E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9478 ASN 656 OD1 682 GLY 547 N 12 0.421E+00 0.878E+00 -0.166E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9479 ASN 656 OD1 682 GLY 547 CA 13 0.304E+00 0.731E+00 0.398E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9480 ASN 656 OD1 682 GLY 547 C 14 0.320E+00 -0.286E+01 -0.243E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9481 ASN 656 OD1 682 GLY 547 O 15 0.347E+00 0.200E+01 -0.324E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9482 ASN 656 OD1 682 ILE 548 N 17 0.383E+00 0.135E+01 -0.249E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9483 ASN 656 OD1 682 ILE 548 CA 18 0.482E+00 0.171E+00 -0.748E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9484 ASN 656 OD1 682 ILE 548 C 19 0.598E+00 -0.582E+00 -0.192E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9485 ASN 656 OD1 682 ILE 548 O 20 0.659E+00 0.518E+00 -0.111E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9486 ASN 656 OD1 682 ILE 548 CB 21 0.561E+00 -0.731E-01 -0.316E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9487 ASN 656 OD1 682 ILE 548 CG1 22 0.505E+00 -0.330E-01 -0.575E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9488 ASN 656 OD1 682 ILE 548 CG2 23 0.686E+00 0.100E+00 -0.967E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9489 ASN 656 OD1 682 ILE 548 CD1 24 0.626E+00 0.938E-01 -0.165E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9490 ASN 656 OD1 682 VAL 549 N 26 0.660E+00 0.375E+00 -0.131E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9491 ASN 656 OD1 682 VAL 549 CA 27 0.782E+00 0.315E-01 -0.444E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9492 ASN 656 OD1 682 VAL 549 C 28 0.772E+00 -0.277E+00 -0.425E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9493 ASN 656 OD1 682 VAL 549 O 29 0.866E+00 0.205E+00 -0.217E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9494 ASN 656 OD1 682 VAL 549 CB 30 0.858E+00 -0.203E+00 -0.254E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9495 ASN 656 OD1 682 VAL 549 CG1 31 0.986E+00 0.372E-01 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9496 ASN 656 OD1 682 VAL 549 CG2 32 0.915E+00 0.418E-01 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9497 ASN 656 OD1 682 GLN 550 N 34 0.681E+00 0.303E+00 -0.109E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9498 ASN 656 OD1 682 GLN 550 CA 35 0.690E+00 -0.283E-01 -0.932E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9499 ASN 656 OD1 682 GLN 550 C 36 0.688E+00 -0.322E+00 -0.844E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9500 ASN 656 OD1 682 GLN 550 O 37 0.792E+00 0.334E+00 -0.371E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9501 ASN 656 OD1 682 GLN 550 CB 38 0.598E+00 0.328E-01 -0.218E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9502 ASN 656 OD1 682 GLN 550 CG 39 0.685E+00 0.155E-01 -0.977E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9503 ASN 656 OD1 682 GLN 550 CD 40 0.790E+00 -0.396E+00 -0.369E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9504 ASN 656 OD1 682 GLN 550 OE1 41 0.897E+00 0.301E+00 -0.175E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9505 ASN 656 OD1 682 GLN 550 NE2 42 0.788E+00 0.527E+00 -0.459E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9506 ASN 656 OD1 682 GLN 551 N 46 0.597E+00 0.398E+00 -0.238E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9507 ASN 656 OD1 682 GLN 551 CA 47 0.634E+00 -0.336E-01 -0.155E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9508 ASN 656 OD1 682 GLN 551 C 48 0.771E+00 -0.260E+00 -0.427E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9509 ASN 656 OD1 682 GLN 551 O 49 0.864E+00 0.287E+00 -0.219E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9510 ASN 656 OD1 682 GLN 551 CB 50 0.541E+00 0.410E-01 -0.391E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9511 ASN 656 OD1 682 GLN 551 CG 51 0.611E+00 0.196E-01 -0.191E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9512 ASN 656 OD1 682 GLN 551 CD 52 0.662E+00 -0.554E+00 -0.106E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9513 ASN 656 OD1 682 GLN 551 OE1 53 0.705E+00 0.461E+00 -0.744E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9514 ASN 656 OD1 682 GLN 551 NE2 54 0.696E+00 0.663E+00 -0.959E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9515 ASN 656 OD1 682 GLN 552 N 58 0.805E+00 0.223E+00 -0.404E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9516 ASN 656 OD1 682 GLN 552 CA 59 0.945E+00 -0.163E-01 -0.143E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9517 ASN 656 OD1 682 GLN 552 C 60 0.105E+01 -0.159E+00 -0.692E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9518 ASN 656 OD1 682 GLN 552 CB 62 0.977E+00 0.134E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9519 ASN 656 OD1 682 GLN 552 CG 63 0.968E+00 0.850E-02 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9520 ASN 656 OD1 682 GLN 552 CD 64 0.102E+01 -0.263E+00 -0.797E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9521 ASN 656 OD1 682 GLN 552 OE1 65 0.103E+01 0.243E+00 -0.763E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9522 ASN 656 OD1 682 ASN 553 N 70 0.102E+01 0.170E+00 -0.987E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9523 ASN 656 OD1 682 ASN 554 N 81 0.104E+01 0.164E+00 -0.859E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9524 ASN 656 OD1 682 ASN 554 CB 85 0.970E+00 0.398E-01 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9525 ASN 656 OD1 682 ASN 554 CG 86 0.920E+00 -0.269E+00 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9526 ASN 656 OD1 682 ASN 554 OD1 87 0.101E+01 0.212E+00 -0.884E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9527 ASN 656 OD1 682 ASN 554 ND2 88 0.791E+00 0.463E+00 -0.447E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9528 ASN 656 ND2 683 SER 546 N 4 0.797E+00 0.469E+00 -0.505E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9529 ASN 656 ND2 683 SER 546 CA 5 0.787E+00 -0.105E+00 -0.502E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9530 ASN 656 ND2 683 SER 546 C 6 0.653E+00 -0.612E+00 -0.135E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9531 ASN 656 ND2 683 SER 546 O 7 0.659E+00 0.721E+00 -0.133E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9532 ASN 656 ND2 683 SER 546 CB 8 0.858E+00 -0.112E+00 -0.298E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9533 ASN 656 ND2 683 SER 546 OG 9 0.802E+00 0.550E+00 -0.458E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9534 ASN 656 ND2 683 SER 546 HG 11 0.820E+00 -0.368E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9535 ASN 656 ND2 683 GLY 547 N 12 0.554E+00 0.671E+00 -0.430E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9536 ASN 656 ND2 683 GLY 547 CA 13 0.421E+00 0.450E+00 -0.163E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9537 ASN 656 ND2 683 GLY 547 C 14 0.357E+00 -0.313E+01 -0.178E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9538 ASN 656 ND2 683 GLY 547 O 15 0.315E+00 0.386E+01 -0.100E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9539 ASN 656 ND2 683 ILE 548 N 17 0.418E+00 0.160E+01 -0.190E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9540 ASN 656 ND2 683 ILE 548 CA 18 0.458E+00 0.288E+00 -0.111E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9541 ASN 656 ND2 683 ILE 548 C 19 0.557E+00 -0.101E+01 -0.340E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9542 ASN 656 ND2 683 ILE 548 O 20 0.577E+00 0.102E+01 -0.291E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9543 ASN 656 ND2 683 ILE 548 CB 21 0.559E+00 -0.109E+00 -0.374E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9544 ASN 656 ND2 683 ILE 548 CG1 22 0.524E+00 -0.449E-01 -0.542E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9545 ASN 656 ND2 683 ILE 548 CG2 23 0.647E+00 0.168E+00 -0.160E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9546 ASN 656 ND2 683 ILE 548 CD1 24 0.664E+00 0.124E+00 -0.138E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9547 ASN 656 ND2 683 VAL 549 N 26 0.652E+00 0.571E+00 -0.167E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9548 ASN 656 ND2 683 VAL 549 CA 27 0.763E+00 0.487E-01 -0.601E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9549 ASN 656 ND2 683 VAL 549 C 28 0.737E+00 -0.447E+00 -0.658E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9550 ASN 656 ND2 683 VAL 549 O 29 0.809E+00 0.342E+00 -0.390E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9551 ASN 656 ND2 683 VAL 549 CB 30 0.872E+00 -0.294E+00 -0.271E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9552 ASN 656 ND2 683 VAL 549 CG1 31 0.990E+00 0.549E-01 -0.127E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9553 ASN 656 ND2 683 VAL 549 CG2 32 0.938E+00 0.596E-01 -0.175E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9554 ASN 656 ND2 683 GLN 550 N 34 0.663E+00 0.475E+00 -0.151E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9555 ASN 656 ND2 683 GLN 550 CA 35 0.658E+00 -0.460E-01 -0.144E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9556 ASN 656 ND2 683 GLN 550 C 36 0.607E+00 -0.616E+00 -0.205E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9557 ASN 656 ND2 683 GLN 550 O 37 0.695E+00 0.632E+00 -0.971E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9558 ASN 656 ND2 683 GLN 550 CB 38 0.598E+00 0.487E-01 -0.254E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9559 ASN 656 ND2 683 GLN 550 CG 39 0.707E+00 0.216E-01 -0.947E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9560 ASN 656 ND2 683 GLN 550 CD 40 0.782E+00 -0.600E+00 -0.463E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9561 ASN 656 ND2 683 GLN 550 OE1 41 0.885E+00 0.456E+00 -0.228E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9562 ASN 656 ND2 683 GLN 550 NE2 42 0.761E+00 0.833E+00 -0.667E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9563 ASN 656 ND2 683 GLN 551 N 46 0.492E+00 0.914E+00 -0.838E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9564 ASN 656 ND2 683 GLN 551 CA 47 0.481E+00 -0.923E-01 -0.857E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9565 ASN 656 ND2 683 GLN 551 C 48 0.613E+00 -0.603E+00 -0.194E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9566 ASN 656 ND2 683 GLN 551 O 49 0.693E+00 0.636E+00 -0.989E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9567 ASN 656 ND2 683 GLN 551 CB 50 0.365E+00 0.163E+00 -0.216E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9568 ASN 656 ND2 683 GLN 551 CG 51 0.404E+00 0.774E-01 -0.190E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9569 ASN 656 ND2 683 GLN 551 CD 52 0.446E+00 -0.201E+01 -0.111E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9570 ASN 656 ND2 683 GLN 551 OE1 53 0.502E+00 0.142E+01 -0.650E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9571 ASN 656 ND2 683 GLN 551 NE2 54 0.477E+00 0.225E+01 -0.996E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9572 ASN 656 ND2 683 GLN 552 N 58 0.666E+00 0.471E+00 -0.147E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9573 ASN 656 ND2 683 GLN 552 CA 59 0.805E+00 -0.315E-01 -0.437E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9574 ASN 656 ND2 683 GLN 552 C 60 0.908E+00 -0.292E+00 -0.189E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9575 ASN 656 ND2 683 GLN 552 O 61 0.101E+01 0.336E+00 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9576 ASN 656 ND2 683 GLN 552 CB 62 0.860E+00 0.244E-01 -0.294E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9577 ASN 656 ND2 683 GLN 552 CG 63 0.845E+00 0.157E-01 -0.327E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9578 ASN 656 ND2 683 GLN 552 CD 64 0.920E+00 -0.456E+00 -0.174E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9579 ASN 656 ND2 683 GLN 552 OE1 65 0.953E+00 0.406E+00 -0.146E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9580 ASN 656 ND2 683 GLN 552 NE2 66 0.975E+00 0.551E+00 -0.151E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9581 ASN 656 ND2 683 ASN 553 N 70 0.898E+00 0.305E+00 -0.247E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9582 ASN 656 ND2 683 ASN 553 CA 71 0.100E+01 -0.269E-01 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9583 ASN 656 ND2 683 ASN 553 C 72 0.101E+01 -0.366E+00 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9584 ASN 656 ND2 683 ASN 553 CB 74 0.101E+01 0.554E-01 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9585 ASN 656 ND2 683 ASN 554 N 81 0.902E+00 0.303E+00 -0.242E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9586 ASN 656 ND2 683 ASN 554 CA 82 0.928E+00 -0.303E-01 -0.187E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9587 ASN 656 ND2 683 ASN 554 C 83 0.988E+00 -0.378E+00 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9588 ASN 656 ND2 683 ASN 554 CB 85 0.813E+00 0.787E-01 -0.412E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9589 ASN 656 ND2 683 ASN 554 CG 86 0.790E+00 -0.515E+00 -0.435E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9590 ASN 656 ND2 683 ASN 554 OD1 87 0.891E+00 0.378E+00 -0.219E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9591 ASN 656 ND2 683 ASN 554 ND2 88 0.672E+00 0.935E+00 -0.140E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9592 ASN 656 ND2 683 LEU 555 N 92 0.948E+00 0.231E+00 -0.179E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9593 ASN 656 ND2 683 LEU 555 CA 93 0.103E+01 0.583E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9594 ASN 656 ND2 683 LEU 555 CB 96 0.980E+00 0.892E-01 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9595 ASN 656 ND2 683 LEU 555 CG 97 0.854E+00 -0.148E+00 -0.307E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9596 ASN 656 ND2 683 LEU 555 CD1 98 0.851E+00 0.954E-01 -0.314E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9597 ASN 656 ND2 683 LEU 555 CD2 99 0.884E+00 0.896E-01 -0.250E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9598 GLU 657 N 687 SER 546 C 6 0.104E+01 -0.148E+00 -0.826E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9599 GLU 657 N 687 GLY 547 N 12 0.914E+00 0.140E+00 -0.223E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9600 GLU 657 N 687 GLY 547 CA 13 0.820E+00 0.576E-01 -0.391E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9601 GLU 657 N 687 GLY 547 C 14 0.813E+00 -0.263E+00 -0.366E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9602 GLU 657 N 687 GLY 547 O 15 0.826E+00 0.225E+00 -0.346E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9603 GLU 657 N 687 ILE 548 N 17 0.830E+00 0.197E+00 -0.397E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9604 GLU 657 N 687 ILE 548 CA 18 0.873E+00 0.409E-01 -0.269E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9605 GLU 657 N 687 ILE 548 C 19 0.101E+01 -0.181E+00 -0.978E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9606 GLU 657 N 687 ILE 548 CB 21 0.895E+00 -0.239E-01 -0.233E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9607 GLU 657 N 687 ILE 548 CG1 22 0.772E+00 -0.109E-01 -0.563E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9608 GLU 657 N 687 ILE 548 CG2 23 0.978E+00 0.437E-01 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9609 GLU 657 N 687 ILE 548 CD1 24 0.832E+00 0.440E-01 -0.360E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9610 GLU 657 N 687 GLN 551 N 46 0.103E+01 0.120E+00 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9611 GLU 657 N 687 GLN 551 CA 47 0.101E+01 -0.119E-01 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9612 GLU 657 N 687 GLN 551 CB 50 0.873E+00 0.129E-01 -0.270E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9613 GLU 657 N 687 GLN 551 CG 51 0.847E+00 0.845E-02 -0.323E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9614 GLU 657 N 687 GLN 551 CD 52 0.857E+00 -0.277E+00 -0.268E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9615 GLU 657 N 687 GLN 551 OE1 53 0.936E+00 0.226E+00 -0.163E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9616 GLU 657 N 687 GLN 551 NE2 54 0.804E+00 0.408E+00 -0.480E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9617 GLU 657 CA 688 GLY 547 N 12 0.104E+01 -0.874E-02 -0.967E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9618 GLU 657 CA 688 GLY 547 CA 13 0.951E+00 -0.342E-02 -0.148E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9619 GLU 657 CA 688 GLY 547 C 14 0.943E+00 0.156E-01 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9620 GLU 657 CA 688 GLY 547 O 15 0.961E+00 -0.133E-01 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9621 GLU 657 CA 688 ILE 548 N 17 0.949E+00 -0.120E-01 -0.164E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9622 GLU 657 CA 688 ILE 548 CA 18 0.985E+00 -0.257E-02 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9623 GLU 657 CA 688 ILE 548 CB 21 0.990E+00 0.155E-02 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9624 GLU 657 CA 688 ILE 548 CG1 22 0.857E+00 0.690E-03 -0.276E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9625 GLU 657 CA 688 ILE 548 CD1 24 0.896E+00 -0.294E-02 -0.211E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9626 GLU 657 CA 688 GLN 551 CB 50 0.999E+00 -0.789E-03 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9627 GLU 657 CA 688 GLN 551 CG 51 0.962E+00 -0.521E-03 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9628 GLU 657 CA 688 GLN 551 CD 52 0.972E+00 0.171E-01 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9629 GLU 657 CA 688 GLN 551 NE2 54 0.909E+00 -0.251E-01 -0.211E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9630 GLU 657 C 689 GLY 547 CA 13 0.100E+01 -0.465E-01 -0.960E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9631 GLU 657 C 689 GLY 547 C 14 0.101E+01 0.206E+00 -0.790E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9632 GLU 657 C 689 GLY 547 O 15 0.104E+01 -0.173E+00 -0.701E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9633 GLU 657 C 689 ILE 548 N 17 0.102E+01 -0.157E+00 -0.920E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9634 GLU 657 C 689 ILE 548 CG1 22 0.940E+00 0.873E-02 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9635 GLU 657 C 689 ILE 548 CD1 24 0.970E+00 -0.382E-01 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9636 GLU 657 C 689 GLN 551 NE2 54 0.104E+01 -0.301E+00 -0.830E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9637 GLU 657 O 690 ILE 548 CG1 22 0.971E+00 -0.105E-01 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9638 GLU 657 O 690 ILE 548 CD1 24 0.982E+00 0.473E-01 -0.113E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9639 GLU 657 CB 691 GLY 547 C 14 0.104E+01 0.317E-01 -0.768E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9640 GLU 657 CB 691 GLY 547 O 15 0.104E+01 -0.276E-01 -0.789E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9641 GLU 657 CB 691 ILE 548 CG1 22 0.963E+00 0.134E-02 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9642 GLU 657 CB 691 ILE 548 CD1 24 0.101E+01 -0.575E-02 -0.104E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9643 GLU 657 CB 691 GLN 551 CB 50 0.104E+01 -0.174E-02 -0.855E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9644 GLU 657 CB 691 GLN 551 CG 51 0.986E+00 -0.118E-02 -0.119E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9645 GLU 657 CB 691 GLN 551 CD 52 0.979E+00 0.398E-01 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9646 GLU 657 CB 691 GLN 551 NE2 54 0.898E+00 -0.601E-01 -0.228E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9647 GLU 657 CG 692 GLY 547 C 14 0.102E+01 -0.147E-01 -0.858E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9648 GLU 657 CG 692 GLY 547 O 15 0.101E+01 0.131E-01 -0.944E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9649 GLU 657 CG 692 ILE 548 N 17 0.103E+01 0.113E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9650 GLU 657 CG 692 ILE 548 CA 18 0.104E+01 0.254E-02 -0.891E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9651 GLU 657 CG 692 ILE 548 CB 21 0.105E+01 -0.151E-02 -0.818E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9652 GLU 657 CG 692 ILE 548 CG1 22 0.931E+00 -0.641E-03 -0.168E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9653 GLU 657 CG 692 ILE 548 CD1 24 0.983E+00 0.271E-02 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9654 GLU 657 CG 692 GLN 551 CB 50 0.969E+00 0.877E-03 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9655 GLU 657 CG 692 GLN 551 CG 51 0.895E+00 0.621E-03 -0.213E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9656 GLU 657 CG 692 GLN 551 CD 52 0.885E+00 -0.211E-01 -0.202E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9657 GLU 657 CG 692 GLN 551 OE1 53 0.978E+00 0.170E-01 -0.116E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9658 GLU 657 CG 692 GLN 551 NE2 54 0.795E+00 0.335E-01 -0.472E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9659 GLU 657 CD 693 GLN 551 CB 50 0.104E+01 -0.177E-01 -0.761E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9660 GLU 657 CD 693 GLN 551 CG 51 0.951E+00 -0.127E-01 -0.131E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9661 GLU 657 CD 693 GLN 551 CD 52 0.922E+00 0.445E+00 -0.140E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9662 GLU 657 CD 693 GLN 551 OE1 53 0.101E+01 -0.363E+00 -0.843E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9663 GLU 657 CD 693 GLN 551 NE2 54 0.817E+00 -0.718E+00 -0.356E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9664 GLU 657 OE1 694 GLN 551 CD 52 0.102E+01 -0.411E+00 -0.801E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9665 GLU 657 OE1 694 GLN 551 NE2 54 0.913E+00 0.643E+00 -0.190E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9666 GLU 657 OE2 695 GLN 551 CB 50 0.101E+01 0.200E-01 -0.965E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9667 GLU 657 OE2 695 GLN 551 CG 51 0.904E+00 0.148E-01 -0.187E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9668 GLU 657 OE2 695 GLN 551 CD 52 0.871E+00 -0.525E+00 -0.206E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9669 GLU 657 OE2 695 GLN 551 OE1 53 0.964E+00 0.421E+00 -0.114E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9670 GLU 657 OE2 695 GLN 551 NE2 54 0.758E+00 0.883E+00 -0.576E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9671 GLN 658 N 697 GLY 547 CA 13 0.992E+00 0.388E-01 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9672 GLN 658 N 697 GLY 547 C 14 0.102E+01 -0.168E+00 -0.945E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9673 GLN 658 N 697 GLY 547 O 15 0.104E+01 0.142E+00 -0.847E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9674 GLN 658 N 697 ILE 548 N 17 0.104E+01 0.126E+00 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9675 GLN 658 N 697 ILE 548 CG1 22 0.996E+00 -0.658E-02 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9676 GLN 658 N 697 ILE 548 CD1 24 0.104E+01 0.285E-01 -0.954E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9677 GLN 658 C 699 GLY 547 CA 13 0.101E+01 -0.409E-01 -0.909E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9678 GLN 658 C 699 ILE 548 CG1 22 0.103E+01 0.674E-02 -0.791E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9679 GLU 659 N 709 SER 546 OG 9 0.996E+00 0.209E+00 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9680 GLU 659 N 709 SER 546 HG 11 0.946E+00 -0.158E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9681 GLU 659 N 709 GLY 547 N 12 0.930E+00 0.136E+00 -0.201E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9682 GLU 659 N 709 GLY 547 CA 13 0.884E+00 0.508E-01 -0.251E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9683 GLU 659 N 709 GLY 547 C 14 0.943E+00 -0.207E+00 -0.151E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9684 GLU 659 N 709 GLY 547 O 15 0.998E+00 0.166E+00 -0.111E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9685 GLU 659 N 709 ILE 548 N 17 0.960E+00 0.156E+00 -0.166E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9686 GLU 659 N 709 ILE 548 CA 18 0.105E+01 0.310E-01 -0.898E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9687 GLU 659 N 709 ILE 548 CG1 22 0.922E+00 -0.810E-02 -0.194E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9688 GLU 659 N 709 ILE 548 CD1 24 0.948E+00 0.356E-01 -0.165E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9689 GLU 659 CA 710 SER 546 N 4 0.977E+00 -0.138E-01 -0.138E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9690 GLU 659 CA 710 SER 546 CA 5 0.105E+01 0.272E-02 -0.835E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9691 GLU 659 CA 710 SER 546 C 6 0.101E+01 0.117E-01 -0.908E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9692 GLU 659 CA 710 SER 546 OG 9 0.921E+00 -0.178E-01 -0.183E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9693 GLU 659 CA 710 SER 546 HG 11 0.862E+00 0.138E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9694 GLU 659 CA 710 GLY 547 N 12 0.884E+00 -0.111E-01 -0.249E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9695 GLU 659 CA 710 GLY 547 CA 13 0.861E+00 -0.401E-02 -0.268E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9696 GLU 659 CA 710 GLY 547 C 14 0.931E+00 0.159E-01 -0.149E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9697 GLU 659 CA 710 GLY 547 O 15 0.100E+01 -0.125E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9698 GLU 659 CA 710 ILE 548 N 17 0.938E+00 -0.122E-01 -0.175E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9699 GLU 659 CA 710 ILE 548 CA 18 0.103E+01 -0.239E-02 -0.898E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9700 GLU 659 CA 710 ILE 548 CB 21 0.102E+01 0.147E-02 -0.950E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9701 GLU 659 CA 710 ILE 548 CG1 22 0.896E+00 0.641E-03 -0.211E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9702 GLU 659 CA 710 ILE 548 CD1 24 0.907E+00 -0.288E-02 -0.196E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9703 GLU 659 C 711 SER 546 N 4 0.987E+00 -0.199E+00 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9704 GLU 659 C 711 SER 546 OG 9 0.970E+00 -0.242E+00 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9705 GLU 659 C 711 SER 546 HG 11 0.902E+00 0.189E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9706 GLU 659 C 711 GLY 547 N 12 0.928E+00 -0.152E+00 -0.166E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9707 GLU 659 C 711 GLY 547 CA 13 0.916E+00 -0.533E-01 -0.164E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9708 GLU 659 C 711 GLY 547 C 14 0.973E+00 0.219E+00 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9709 GLU 659 C 711 ILE 548 N 17 0.960E+00 -0.173E+00 -0.135E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9710 GLU 659 C 711 ILE 548 CA 18 0.104E+01 -0.347E-01 -0.758E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9711 GLU 659 C 711 ILE 548 CB 21 0.101E+01 0.221E-01 -0.912E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9712 GLU 659 C 711 ILE 548 CG1 22 0.873E+00 0.982E-02 -0.219E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9713 GLU 659 C 711 ILE 548 CD1 24 0.860E+00 -0.463E-01 -0.240E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9714 GLU 659 O 712 SER 546 N 4 0.985E+00 0.252E+00 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9715 GLU 659 O 712 SER 546 OG 9 0.974E+00 0.303E+00 -0.120E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9716 GLU 659 O 712 SER 546 HG 11 0.898E+00 -0.240E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9717 GLU 659 O 712 GLY 547 N 12 0.959E+00 0.182E+00 -0.141E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9718 GLU 659 O 712 GLY 547 CA 13 0.965E+00 0.620E-01 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9719 GLU 659 O 712 GLY 547 C 14 0.103E+01 -0.254E+00 -0.760E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9720 GLU 659 O 712 ILE 548 N 17 0.101E+01 0.203E+00 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9721 GLU 659 O 712 ILE 548 CB 21 0.105E+01 -0.264E-01 -0.766E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9722 GLU 659 O 712 ILE 548 CG1 22 0.913E+00 -0.115E-01 -0.175E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9723 GLU 659 O 712 ILE 548 CD1 24 0.884E+00 0.557E-01 -0.213E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9724 GLU 659 CB 713 SER 546 N 4 0.836E+00 -0.414E-01 -0.349E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9725 GLU 659 CB 713 SER 546 CA 5 0.900E+00 0.801E-02 -0.206E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9726 GLU 659 CB 713 SER 546 C 6 0.864E+00 0.350E-01 -0.233E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9727 GLU 659 CB 713 SER 546 O 7 0.965E+00 -0.353E-01 -0.126E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9728 GLU 659 CB 713 SER 546 CB 8 0.902E+00 0.994E-02 -0.204E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9729 GLU 659 CB 713 SER 546 OG 9 0.773E+00 -0.563E-01 -0.526E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9730 GLU 659 CB 713 SER 546 HG 11 0.716E+00 0.452E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9731 GLU 659 CB 713 GLY 547 N 12 0.738E+00 -0.358E-01 -0.734E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9732 GLU 659 CB 713 GLY 547 CA 13 0.720E+00 -0.129E-01 -0.781E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9733 GLU 659 CB 713 GLY 547 C 14 0.799E+00 0.481E-01 -0.371E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9734 GLU 659 CB 713 GLY 547 O 15 0.875E+00 -0.361E-01 -0.226E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9735 GLU 659 CB 713 ILE 548 N 17 0.810E+00 -0.364E-01 -0.420E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9736 GLU 659 CB 713 ILE 548 CA 18 0.915E+00 -0.673E-02 -0.186E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9737 GLU 659 CB 713 ILE 548 CB 21 0.913E+00 0.411E-02 -0.189E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9738 GLU 659 CB 713 ILE 548 CG1 22 0.796E+00 0.183E-02 -0.427E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9739 GLU 659 CB 713 ILE 548 CG2 23 0.105E+01 -0.703E-02 -0.838E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9740 GLU 659 CB 713 ILE 548 CD1 24 0.819E+00 -0.801E-02 -0.362E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9741 GLU 659 CG 714 SER 546 N 4 0.768E+00 0.218E-01 -0.579E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9742 GLU 659 CG 714 SER 546 CA 5 0.840E+00 -0.406E-02 -0.311E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9743 GLU 659 CG 714 SER 546 C 6 0.829E+00 -0.170E-01 -0.298E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9744 GLU 659 CG 714 SER 546 O 7 0.940E+00 0.167E-01 -0.147E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9745 GLU 659 CG 714 SER 546 CB 8 0.829E+00 -0.517E-02 -0.336E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9746 GLU 659 CG 714 SER 546 OG 9 0.700E+00 0.307E-01 -0.950E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9747 GLU 659 CG 714 SER 546 HG 11 0.631E+00 -0.263E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9748 GLU 659 CG 714 GLY 547 N 12 0.714E+00 0.173E-01 -0.894E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9749 GLU 659 CG 714 GLY 547 CA 13 0.726E+00 0.577E-02 -0.744E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9750 GLU 659 CG 714 GLY 547 C 14 0.820E+00 -0.208E-01 -0.318E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9751 GLU 659 CG 714 GLY 547 O 15 0.910E+00 0.154E-01 -0.179E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9752 GLU 659 CG 714 ILE 548 N 17 0.823E+00 0.161E-01 -0.383E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9753 GLU 659 CG 714 ILE 548 CA 18 0.936E+00 0.295E-02 -0.163E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9754 GLU 659 CG 714 ILE 548 CB 21 0.924E+00 -0.183E-02 -0.176E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9755 GLU 659 CG 714 ILE 548 CG1 22 0.816E+00 -0.796E-03 -0.370E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9756 GLU 659 CG 714 ILE 548 CD1 24 0.825E+00 0.359E-02 -0.347E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9757 GLU 659 CD 715 SER 546 N 4 0.632E+00 -0.716E+00 -0.163E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9758 GLU 659 CD 715 SER 546 CA 5 0.696E+00 0.129E+00 -0.848E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9759 GLU 659 CD 715 SER 546 C 6 0.689E+00 0.538E+00 -0.796E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9760 GLU 659 CD 715 SER 546 O 7 0.802E+00 -0.488E+00 -0.339E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9761 GLU 659 CD 715 SER 546 CB 8 0.678E+00 0.169E+00 -0.983E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9762 GLU 659 CD 715 SER 546 OG 9 0.548E+00 -0.115E+01 -0.354E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9763 GLU 659 CD 715 SER 546 HG 11 0.480E+00 0.109E+01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9764 GLU 659 CD 715 GLY 547 N 12 0.579E+00 -0.596E+00 -0.271E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9765 GLU 659 CD 715 GLY 547 CA 13 0.605E+00 -0.187E+00 -0.192E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9766 GLU 659 CD 715 GLY 547 C 14 0.712E+00 0.606E+00 -0.654E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9767 GLU 659 CD 715 GLY 547 O 15 0.808E+00 -0.421E+00 -0.322E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9768 GLU 659 CD 715 ILE 548 N 17 0.720E+00 -0.461E+00 -0.757E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9769 GLU 659 CD 715 ILE 548 CA 18 0.842E+00 -0.787E-01 -0.271E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9770 GLU 659 CD 715 ILE 548 C 19 0.963E+00 0.354E+00 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9771 GLU 659 CD 715 ILE 548 CB 21 0.839E+00 0.481E-01 -0.277E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9772 GLU 659 CD 715 ILE 548 CG1 22 0.750E+00 0.208E-01 -0.540E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9773 GLU 659 CD 715 ILE 548 CG2 23 0.984E+00 -0.783E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9774 GLU 659 CD 715 ILE 548 CD1 24 0.771E+00 -0.908E-01 -0.458E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9775 GLU 659 CD 715 VAL 549 N 26 0.964E+00 -0.280E+00 -0.132E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9776 GLU 659 CD 715 GLN 550 N 34 0.103E+01 -0.217E+00 -0.871E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9777 GLU 659 CD 715 GLN 550 CB 38 0.964E+00 -0.199E-01 -0.121E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9778 GLU 659 CD 715 GLN 550 CG 39 0.100E+01 -0.117E-01 -0.966E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9779 GLU 659 OE1 716 SER 546 N 4 0.592E+00 0.885E+00 -0.249E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9780 GLU 659 OE1 716 SER 546 CA 5 0.639E+00 -0.164E+00 -0.147E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9781 GLU 659 OE1 716 SER 546 C 6 0.609E+00 -0.743E+00 -0.173E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9782 GLU 659 OE1 716 SER 546 O 7 0.715E+00 0.648E+00 -0.683E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9783 GLU 659 OE1 716 SER 546 CB 8 0.629E+00 -0.211E+00 -0.161E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9784 GLU 659 OE1 716 SER 546 OG 9 0.499E+00 0.155E+01 -0.633E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9785 GLU 659 OE1 716 SER 546 HG 11 0.448E+00 -0.140E+01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9786 GLU 659 OE1 716 GLY 547 N 12 0.490E+00 0.941E+00 -0.741E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9787 GLU 659 OE1 716 GLY 547 CA 13 0.497E+00 0.315E+00 -0.631E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9788 GLU 659 OE1 716 GLY 547 C 14 0.605E+00 -0.907E+00 -0.180E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9789 GLU 659 OE1 716 GLY 547 O 15 0.695E+00 0.599E+00 -0.807E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9790 GLU 659 OE1 716 ILE 548 N 17 0.626E+00 0.656E+00 -0.180E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9791 GLU 659 OE1 716 ILE 548 CA 18 0.754E+00 0.103E+00 -0.553E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9792 GLU 659 OE1 716 ILE 548 C 19 0.873E+00 -0.446E+00 -0.204E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9793 GLU 659 OE1 716 ILE 548 O 20 0.973E+00 0.409E+00 -0.108E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9794 GLU 659 OE1 716 ILE 548 CB 21 0.768E+00 -0.605E-01 -0.493E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9795 GLU 659 OE1 716 ILE 548 CG1 22 0.687E+00 -0.265E-01 -0.961E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9796 GLU 659 OE1 716 ILE 548 CG2 23 0.915E+00 0.943E-01 -0.173E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9797 GLU 659 OE1 716 ILE 548 CD1 24 0.731E+00 0.108E+00 -0.665E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9798 GLU 659 OE1 716 VAL 549 N 26 0.880E+00 0.348E+00 -0.236E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9799 GLU 659 OE1 716 VAL 549 CA 27 0.100E+01 0.329E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9800 GLU 659 OE1 716 VAL 549 C 28 0.103E+01 -0.273E+00 -0.772E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9801 GLU 659 OE1 716 VAL 549 CB 30 0.102E+01 -0.244E+00 -0.923E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9802 GLU 659 OE1 716 VAL 549 CG2 32 0.104E+01 0.539E-01 -0.807E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9803 GLU 659 OE1 716 GLN 550 N 34 0.934E+00 0.272E+00 -0.166E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9804 GLU 659 OE1 716 GLN 550 CA 35 0.966E+00 -0.247E-01 -0.125E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9805 GLU 659 OE1 716 GLN 550 C 36 0.102E+01 -0.257E+00 -0.787E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9806 GLU 659 OE1 716 GLN 550 CB 38 0.854E+00 0.260E-01 -0.262E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9807 GLU 659 OE1 716 GLN 550 CG 39 0.894E+00 0.151E-01 -0.199E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9808 GLU 659 OE1 716 GLN 550 CD 40 0.103E+01 -0.406E+00 -0.757E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9809 GLU 659 OE1 716 GLN 551 N 46 0.964E+00 0.259E+00 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9810 GLU 659 OE1 716 GLN 551 CA 47 0.104E+01 -0.222E-01 -0.815E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9811 GLU 659 OE1 716 GLN 551 CB 50 0.962E+00 0.215E-01 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9812 GLU 659 OE1 716 GLN 551 CG 51 0.105E+01 0.119E-01 -0.779E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9813 GLU 659 OE2 717 SER 546 N 4 0.590E+00 0.893E+00 -0.256E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9814 GLU 659 OE2 717 SER 546 CA 5 0.659E+00 -0.155E+00 -0.123E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9815 GLU 659 OE2 717 SER 546 C 6 0.678E+00 -0.598E+00 -0.920E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9816 GLU 659 OE2 717 SER 546 O 7 0.796E+00 0.532E+00 -0.359E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9817 GLU 659 OE2 717 SER 546 CB 8 0.628E+00 -0.212E+00 -0.163E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9818 GLU 659 OE2 717 SER 546 OG 9 0.502E+00 0.152E+01 -0.611E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9819 GLU 659 OE2 717 SER 546 HG 11 0.423E+00 -0.162E+01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9820 GLU 659 OE2 717 GLY 547 N 12 0.585E+00 0.627E+00 -0.267E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9821 GLU 659 OE2 717 GLY 547 CA 13 0.639E+00 0.180E+00 -0.148E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9822 GLU 659 OE2 717 GLY 547 C 14 0.753E+00 -0.588E+00 -0.492E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9823 GLU 659 OE2 717 GLY 547 O 15 0.857E+00 0.411E+00 -0.231E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9824 GLU 659 OE2 717 ILE 548 N 17 0.753E+00 0.456E+00 -0.599E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9825 GLU 659 OE2 717 ILE 548 CA 18 0.878E+00 0.791E-01 -0.222E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9826 GLU 659 OE2 717 ILE 548 C 19 0.988E+00 -0.367E+00 -0.967E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9827 GLU 659 OE2 717 ILE 548 CB 21 0.867E+00 -0.491E-01 -0.239E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9828 GLU 659 OE2 717 ILE 548 CG1 22 0.790E+00 -0.204E-01 -0.417E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9829 GLU 659 OE2 717 ILE 548 CG2 23 0.101E+01 0.809E-01 -0.945E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9830 GLU 659 OE2 717 ILE 548 CD1 24 0.800E+00 0.917E-01 -0.387E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9831 GLU 659 OE2 717 VAL 549 N 26 0.973E+00 0.297E+00 -0.129E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9832 GLU 659 OE2 717 GLN 550 N 34 0.105E+01 0.230E+00 -0.839E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9833 GLU 659 OE2 717 GLN 550 CB 38 0.987E+00 0.207E-01 -0.110E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9834 GLU 659 OE2 717 GLN 550 CG 39 0.102E+01 0.124E-01 -0.920E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9835 LEU 660 N 719 SER 546 N 4 0.101E+01 0.145E+00 -0.122E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9836 LEU 660 N 719 SER 546 OG 9 0.102E+01 0.170E+00 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9837 LEU 660 N 719 SER 546 HG 11 0.955E+00 -0.131E+00 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9838 LEU 660 N 719 GLY 547 N 12 0.942E+00 0.112E+00 -0.186E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9839 LEU 660 N 719 GLY 547 CA 13 0.920E+00 0.400E-01 -0.197E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9840 LEU 660 N 719 GLY 547 C 14 0.958E+00 -0.169E+00 -0.137E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9841 LEU 660 N 719 GLY 547 O 15 0.103E+01 0.133E+00 -0.929E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9842 LEU 660 N 719 ILE 548 N 17 0.937E+00 0.136E+00 -0.192E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9843 LEU 660 N 719 ILE 548 CA 18 0.100E+01 0.277E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9844 LEU 660 N 719 ILE 548 CB 21 0.967E+00 -0.178E-01 -0.146E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9845 LEU 660 N 719 ILE 548 CG1 22 0.822E+00 -0.821E-02 -0.387E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9846 LEU 660 N 719 ILE 548 CD1 24 0.806E+00 0.390E-01 -0.435E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9847 LEU 660 CA 720 SER 546 HG 11 0.103E+01 -0.331E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9848 LEU 660 CA 720 GLY 547 N 12 0.102E+01 0.282E-01 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9849 LEU 660 CA 720 GLY 547 CA 13 0.101E+01 0.991E-02 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9850 LEU 660 CA 720 GLY 547 C 14 0.103E+01 -0.431E-01 -0.801E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9851 LEU 660 CA 720 ILE 548 N 17 0.995E+00 0.353E-01 -0.123E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9852 LEU 660 CA 720 ILE 548 CA 18 0.105E+01 0.741E-02 -0.829E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9853 LEU 660 CA 720 ILE 548 CB 21 0.991E+00 -0.488E-02 -0.115E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9854 LEU 660 CA 720 ILE 548 CG1 22 0.841E+00 -0.225E-02 -0.309E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9855 LEU 660 CA 720 ILE 548 CD1 24 0.801E+00 0.112E-01 -0.413E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9856 LEU 660 C 721 ILE 548 CG1 22 0.991E+00 0.982E-02 -0.102E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9857 LEU 660 C 721 ILE 548 CD1 24 0.945E+00 -0.484E-01 -0.136E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9858 LEU 660 O 722 ILE 548 CG1 22 0.104E+01 -0.892E-02 -0.804E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9859 LEU 660 O 722 ILE 548 CD1 24 0.977E+00 0.449E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9860 LEU 660 CB 723 GLY 547 N 12 0.103E+01 0.395E-01 -0.984E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9861 LEU 660 CB 723 GLY 547 CA 13 0.101E+01 0.141E-01 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9862 LEU 660 CB 723 GLY 547 C 14 0.101E+01 -0.634E-01 -0.913E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9863 LEU 660 CB 723 ILE 548 N 17 0.967E+00 0.525E-01 -0.146E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9864 LEU 660 CB 723 ILE 548 CA 18 0.100E+01 0.113E-01 -0.109E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9865 LEU 660 CB 723 ILE 548 CB 21 0.941E+00 -0.752E-02 -0.158E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9866 LEU 660 CB 723 ILE 548 CG1 22 0.787E+00 -0.359E-02 -0.458E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9867 LEU 660 CB 723 ILE 548 CG2 23 0.101E+01 0.141E-01 -0.100E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9868 LEU 660 CB 723 ILE 548 CD1 24 0.748E+00 0.181E-01 -0.619E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9869 LEU 660 CG 724 SER 546 N 4 0.105E+01 -0.749E-01 -0.916E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9870 LEU 660 CG 724 GLY 547 N 12 0.102E+01 -0.538E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9871 LEU 660 CG 724 GLY 547 CA 13 0.100E+01 -0.189E-01 -0.107E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9872 LEU 660 CG 724 GLY 547 C 14 0.993E+00 0.866E-01 -0.101E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9873 LEU 660 CG 724 ILE 548 N 17 0.931E+00 -0.742E-01 -0.183E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9874 LEU 660 CG 724 ILE 548 CA 18 0.948E+00 -0.163E-01 -0.151E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9875 LEU 660 CG 724 ILE 548 CB 21 0.869E+00 0.114E-01 -0.254E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9876 LEU 660 CG 724 ILE 548 CG1 22 0.716E+00 0.571E-02 -0.806E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9877 LEU 660 CG 724 ILE 548 CG2 23 0.929E+00 -0.215E-01 -0.171E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9878 LEU 660 CG 724 ILE 548 CD1 24 0.653E+00 -0.314E-01 -0.138E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9879 LEU 660 CD1 725 SER 546 N 4 0.902E+00 0.599E-01 -0.221E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9880 LEU 660 CD1 725 SER 546 CA 5 0.102E+01 -0.109E-01 -0.990E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9881 LEU 660 CD1 725 SER 546 C 6 0.999E+00 -0.458E-01 -0.979E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9882 LEU 660 CD1 725 SER 546 OG 9 0.101E+01 0.597E-01 -0.106E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9883 LEU 660 CD1 725 SER 546 HG 11 0.943E+00 -0.461E-01 0.000E+00
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9884 LEU 660 CD1 725 GLY 547 N 12 0.898E+00 0.417E-01 -0.227E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9885 LEU 660 CD1 725 GLY 547 CA 13 0.900E+00 0.143E-01 -0.205E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9886 LEU 660 CD1 725 GLY 547 C 14 0.896E+00 -0.650E-01 -0.187E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9887 LEU 660 CD1 725 GLY 547 O 15 0.977E+00 0.498E-01 -0.117E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9888 LEU 660 CD1 725 ILE 548 N 17 0.827E+00 0.577E-01 -0.373E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9889 LEU 660 CD1 725 ILE 548 CA 18 0.851E+00 0.124E-01 -0.288E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9890 LEU 660 CD1 725 ILE 548 C 19 0.997E+00 -0.540E-01 -0.988E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9891 LEU 660 CD1 725 ILE 548 CB 21 0.764E+00 -0.911E-02 -0.546E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9892 LEU 660 CD1 725 ILE 548 CG1 22 0.614E+00 -0.497E-02 -0.198E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9893 LEU 660 CD1 725 ILE 548 CG2 23 0.835E+00 0.164E-01 -0.322E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9894 LEU 660 CD1 725 ILE 548 CD1 24 0.542E+00 0.301E-01 -0.408E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9895 LEU 660 CD1 725 VAL 549 N 26 0.105E+01 0.398E-01 -0.904E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9896 LEU 660 CD2 726 GLY 547 N 12 0.104E+01 0.336E-01 -0.968E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9897 LEU 660 CD2 726 GLY 547 CA 13 0.101E+01 0.121E-01 -0.105E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9898 LEU 660 CD2 726 GLY 547 C 14 0.976E+00 -0.570E-01 -0.112E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9899 LEU 660 CD2 726 GLY 547 O 15 0.103E+01 0.460E-01 -0.840E-03
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9900 LEU 660 CD2 726 ILE 548 N 17 0.912E+00 0.491E-01 -0.208E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9901 LEU 660 CD2 726 ILE 548 CA 18 0.909E+00 0.112E-01 -0.193E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9902 LEU 660 CD2 726 ILE 548 CB 21 0.833E+00 -0.784E-02 -0.328E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9903 LEU 660 CD2 726 ILE 548 CG1 22 0.682E+00 -0.402E-02 -0.108E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9904 LEU 660 CD2 726 ILE 548 CG2 23 0.874E+00 0.152E-01 -0.245E-02
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9905 LEU 660 CD2 726 ILE 548 CD1 24 0.628E+00 0.218E-01 -0.174E-01
d163dd7e68b5 planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
jjohnson
parents:
diff changeset
9906 LEU 661 N 728 ILE 548 CD1 24 0.104E+01 0.259E-01 -0.925E-03