Mercurial > repos > jjohnson > opencontact
view test-data/finedata.txt @ 0:d163dd7e68b5 draft
planemo upload commit cc4319cfe5715ecd2d692df8ed2476ca7539a1aa-dirty
| author | jjohnson |
|---|---|
| date | Thu, 16 May 2019 11:27:07 -0400 |
| parents | |
| children |
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TRP 628 N 372 TRP 571 CH2 264 0.423E+00 0.250E+00 -0.142E+00 TRP 628 N 372 GLN 575 CD 300 0.738E+00 -0.365E+00 -0.652E-02 TRP 628 C 374 GLN 575 OE1 301 0.919E+00 -0.321E+00 -0.150E-02 TRP 628 C 374 GLN 575 NE2 302 0.102E+01 -0.387E+00 -0.963E-03 TRP 628 C 374 ARG 579 NH1 342 0.945E+00 -0.335E+00 -0.148E-02 TRP 628 C 374 ARG 579 NH2 343 0.960E+00 -0.327E+00 -0.135E-02 TRP 628 CG 377 TRP 571 CZ3 263 0.429E+00 0.694E-01 -0.104E+00 TRP 628 CG 377 TRP 571 CH2 264 0.426E+00 0.574E-01 -0.107E+00 TRP 628 CD1 378 TRP 571 CH2 264 0.415E+00 0.107E+00 -0.118E+00 TRP 628 CD2 379 TRP 571 CZ3 263 0.376E+00 -0.880E-01 -0.139E+00 TRP 628 CD2 379 TRP 571 CH2 264 0.414E+00 -0.555E-01 -0.118E+00 TRP 628 NE1 380 TRP 571 CZ3 263 0.412E+00 0.230E+00 -0.157E+00 TRP 628 NE1 380 TRP 571 CH2 264 0.389E+00 0.217E+00 -0.187E+00 TRP 628 NE1 380 GLN 575 CB 298 0.460E+00 0.340E-01 -0.109E+00 TRP 628 NE1 380 GLN 575 CG 299 0.462E+00 0.210E-01 -0.106E+00 TRP 628 NE1 380 GLN 575 CD 300 0.500E+00 -0.581E+00 -0.623E-01 TRP 628 NE1 380 GLN 575 OE1 301 0.456E+00 0.681E+00 -0.110E+00 TRP 628 NE1 380 ARG 579 CZ 341 0.481E+00 -0.539E+00 -0.764E-01 TRP 628 NE1 380 ARG 579 NH1 342 0.407E+00 0.995E+00 -0.213E+00 TRP 628 NE1 380 ARG 579 NH2 343 0.465E+00 0.708E+00 -0.113E+00 TRP 628 CE2 381 TRP 571 CZ3 263 0.363E+00 -0.153E+00 -0.123E+00 TRP 628 CE2 381 TRP 571 CH2 264 0.388E+00 -0.104E+00 -0.138E+00 TRP 628 CE3 382 TRP 571 CZ3 263 0.400E+00 0.128E+00 -0.131E+00 TRP 628 CZ2 383 TRP 571 CZ3 263 0.375E+00 0.209E+00 -0.138E+00 TRP 628 CZ2 383 TRP 571 CH2 264 0.429E+00 0.119E+00 -0.104E+00 TRP 628 CZ2 383 GLY 572 CA 268 0.428E+00 0.116E+00 -0.118E+00 TRP 628 CZ2 383 GLY 572 C 269 0.461E+00 -0.435E+00 -0.754E-01 TRP 628 CZ2 383 GLY 572 O 270 0.403E+00 0.536E+00 -0.160E+00 TRP 628 CZ2 383 GLN 575 CB 298 0.375E+00 0.406E-01 -0.156E+00 TRP 628 CZ2 383 GLN 575 CG 299 0.418E+00 0.191E-01 -0.129E+00 TRP 628 CZ2 383 GLN 575 CD 300 0.524E+00 -0.369E+00 -0.387E-01 TRP 628 CZ2 383 LEU 576 CG 311 0.426E+00 -0.175E+00 -0.121E+00 TRP 628 CZ2 383 LEU 576 CD2 313 0.392E+00 0.139E+00 -0.154E+00 TRP 628 CZ3 384 TRP 571 CZ3 263 0.410E+00 0.128E+00 -0.122E+00 TRP 628 CZ3 384 GLY 572 CA 268 0.435E+00 0.869E-01 -0.111E+00 TRP 628 CH2 385 TRP 571 CZ3 263 0.399E+00 0.112E+00 -0.132E+00 TRP 628 CH2 385 GLY 572 CA 268 0.362E+00 0.114E+00 -0.136E+00 TRP 628 CH2 385 GLY 572 C 269 0.409E+00 -0.369E+00 -0.123E+00 TRP 628 CH2 385 GLY 572 O 270 0.378E+00 0.399E+00 -0.199E+00 TRP 628 CH2 385 LEU 576 CG 311 0.419E+00 -0.115E+00 -0.128E+00 TRP 628 CH2 385 LEU 576 CD2 313 0.418E+00 0.742E-01 -0.130E+00 TRP 628 HE1 387 GLY 572 O 270 0.613E+00 -0.302E+00 -0.468E-03 TRP 628 HE1 387 GLN 575 O 297 0.561E+00 -0.406E+00 -0.795E-03 TRP 628 HE1 387 GLN 575 OE1 301 0.386E+00 -0.113E+01 -0.737E-02 TRP 628 HE1 387 GLN 575 NE2 302 0.569E+00 -0.615E+00 -0.995E-03 TRP 628 HE1 387 ARG 579 NH1 342 0.322E+00 -0.202E+01 -0.278E-01 TRP 628 HE1 387 ARG 579 NH2 343 0.376E+00 -0.132E+01 -0.116E-01 TRP 631 C 409 LEU 568 O 228 0.726E+00 -0.428E+00 -0.610E-02 TRP 631 O 410 LEU 568 C 227 0.708E+00 -0.391E+00 -0.711E-02 TRP 631 CB 411 TRP 571 CE3 261 0.417E+00 0.687E-01 -0.130E+00 TRP 631 CB 411 TRP 571 CZ3 263 0.382E+00 0.924E-01 -0.157E+00 TRP 631 CG 412 TRP 571 CE3 261 0.383E+00 0.878E-01 -0.140E+00 TRP 631 CG 412 TRP 571 CZ3 263 0.383E+00 0.935E-01 -0.140E+00 TRP 631 CD1 413 LEU 568 CA 226 0.427E+00 0.756E-01 -0.120E+00 TRP 631 CD1 413 LEU 568 C 227 0.408E+00 -0.482E+00 -0.125E+00 TRP 631 CD1 413 LEU 568 O 228 0.349E+00 0.711E+00 -0.213E+00 TRP 631 CD1 413 LEU 568 CB 229 0.404E+00 0.124E+00 -0.144E+00 TRP 631 CD1 413 TRP 571 CD2 258 0.423E+00 -0.690E-01 -0.110E+00 TRP 631 CD1 413 TRP 571 CZ3 263 0.381E+00 0.165E+00 -0.140E+00 TRP 631 NE1 415 LEU 568 CA 226 0.396E+00 0.157E+00 -0.202E+00 TRP 631 NE1 415 LEU 568 C 227 0.339E+00 -0.136E+01 -0.722E-01 TRP 631 NE1 415 LEU 568 CB 229 0.382E+00 0.247E+00 -0.218E+00 TRP 631 NE1 415 THR 569 N 234 0.418E+00 0.331E+00 -0.190E+00 TRP 631 NE1 415 THR 569 CA 235 0.453E+00 0.299E+00 -0.117E+00 TRP 631 NE1 415 THR 569 C 236 0.522E+00 -0.440E+00 -0.491E-01 TRP 631 NE1 415 TRP 571 C 253 0.513E+00 -0.478E+00 -0.540E-01 TRP 631 NE1 415 TRP 571 CE3 261 0.385E+00 0.258E+00 -0.191E+00 TRP 631 NE1 415 TRP 571 CZ3 263 0.446E+00 0.188E+00 -0.111E+00 TRP 631 NE1 415 GLY 572 N 267 0.422E+00 0.494E+00 -0.183E+00 TRP 631 NE1 415 GLY 572 CA 268 0.433E+00 0.160E+00 -0.145E+00 TRP 631 NE1 415 GLY 572 C 269 0.579E+00 -0.361E+00 -0.272E-01 TRP 631 CE2 416 LEU 568 O 228 0.394E+00 -0.419E+00 -0.175E+00 TRP 631 CZ2 418 LEU 568 C 227 0.483E+00 -0.383E+00 -0.597E-01 TRP 631 HE1 422 LEU 565 O 198 0.554E+00 -0.412E+00 -0.856E-03 TRP 631 HE1 422 GLN 567 O 216 0.504E+00 -0.519E+00 -0.151E-02 TRP 631 HE1 422 LEU 568 N 225 0.457E+00 -0.413E+00 -0.368E-02 TRP 631 HE1 422 LEU 568 O 228 0.189E+00 -0.776E+01 0.241E+00 TRP 631 HE1 422 LEU 568 CB 229 0.336E+00 -0.377E+00 -0.214E-01 TRP 631 HE1 422 THR 569 N 234 0.325E+00 -0.701E+00 -0.263E-01 TRP 631 HE1 422 THR 569 CA 235 0.363E+00 -0.572E+00 -0.137E-01 TRP 631 HE1 422 THR 569 O 237 0.451E+00 -0.666E+00 -0.294E-02 TRP 631 HE1 422 THR 569 OG1 239 0.592E+00 -0.385E+00 -0.677E-03 TRP 631 HE1 422 VAL 570 N 243 0.504E+00 -0.414E+00 -0.206E-02 TRP 631 HE1 422 TRP 571 N 251 0.491E+00 -0.419E+00 -0.242E-02 TRP 631 HE1 422 TRP 571 O 254 0.561E+00 -0.356E+00 -0.795E-03 TRP 631 HE1 422 GLY 572 N 267 0.369E+00 -0.760E+00 -0.130E-01 ASP 632 N 423 LEU 568 C 227 0.856E+00 -0.314E+00 -0.269E-02 GLU 634 CA 450 LEU 568 CD1 231 0.437E+00 -0.160E-01 -0.123E+00 GLU 634 C 451 HIS 564 O 185 0.711E+00 -0.340E+00 -0.694E-02 GLU 634 C 451 LEU 568 CD1 231 0.370E+00 -0.361E+00 -0.151E+00 GLU 634 O 452 ALA 561 C 154 0.844E+00 -0.340E+00 -0.249E-02 GLU 634 O 452 HIS 564 C 184 0.666E+00 -0.610E+00 -0.102E-01 GLU 634 O 452 LEU 565 C 197 0.764E+00 -0.407E+00 -0.453E-02 GLU 634 O 452 LEU 568 C 227 0.843E+00 -0.342E+00 -0.251E-02 GLU 634 O 452 LEU 568 CG 230 0.521E+00 -0.302E+00 -0.485E-01 GLU 634 O 452 LEU 568 CD1 231 0.371E+00 0.453E+00 -0.236E+00 GLU 634 CB 453 LEU 568 CD1 231 0.369E+00 -0.580E-01 -0.169E+00 GLU 634 CB 453 LEU 568 CD2 232 0.448E+00 -0.350E-01 -0.109E+00 GLU 634 CD 455 ALA 561 O 155 0.102E+01 -0.318E+00 -0.813E-03 GLU 634 CD 455 GLN 563 O 173 0.104E+01 -0.314E+00 -0.716E-03 GLU 634 CD 455 HIS 564 N 182 0.964E+00 -0.328E+00 -0.132E-02 GLU 634 CD 455 HIS 564 O 185 0.738E+00 -0.516E+00 -0.555E-02 GLU 634 CD 455 HIS 564 ND1 188 0.794E+00 -0.361E+00 -0.420E-02 GLU 634 CD 455 LEU 565 O 198 0.954E+00 -0.352E+00 -0.119E-02 GLU 634 CD 455 GLN 567 O 216 0.910E+00 -0.384E+00 -0.159E-02 GLU 634 CD 455 LEU 568 N 225 0.798E+00 -0.300E+00 -0.407E-02 GLU 634 CD 455 LEU 568 O 228 0.885E+00 -0.397E+00 -0.188E-02 GLU 634 CD 455 LEU 568 CD2 232 0.448E+00 -0.357E+00 -0.971E-01 GLU 634 OE1 456 ALA 561 C 154 0.102E+01 -0.351E+00 -0.799E-03 GLU 634 OE1 456 HIS 564 C 184 0.679E+00 -0.815E+00 -0.907E-02 GLU 634 OE1 456 HIS 564 CG 187 0.674E+00 -0.348E+00 -0.951E-02 GLU 634 OE1 456 LEU 565 C 197 0.872E+00 -0.449E+00 -0.204E-02 GLU 634 OE1 456 LEU 566 C 206 0.988E+00 -0.370E+00 -0.972E-03 GLU 634 OE1 456 GLN 567 C 215 0.785E+00 -0.394E+00 -0.385E-02 GLU 634 OE1 456 GLN 567 CD 219 0.101E+01 -0.416E+00 -0.837E-03 GLU 634 OE1 456 LEU 568 C 227 0.803E+00 -0.517E+00 -0.336E-02 GLU 634 OE1 456 LEU 568 CG 230 0.455E+00 -0.578E+00 -0.101E+00 GLU 634 OE1 456 LEU 568 CD1 231 0.421E+00 0.451E+00 -0.149E+00 GLU 634 OE1 456 LEU 568 CD2 232 0.371E+00 0.627E+00 -0.235E+00 GLU 634 OE2 457 HIS 564 C 184 0.889E+00 -0.503E+00 -0.183E-02 GLU 634 OE2 457 LEU 568 C 227 0.921E+00 -0.411E+00 -0.147E-02 ILE 635 N 459 HIS 564 C 184 0.766E+00 -0.356E+00 -0.523E-02 ILE 635 N 459 LEU 568 C 227 0.765E+00 -0.308E+00 -0.524E-02 ILE 635 N 459 LEU 568 CD1 231 0.390E+00 0.300E+00 -0.209E+00 ILE 635 CA 460 LEU 565 CD2 202 0.411E+00 0.594E-01 -0.155E+00 ILE 635 CA 460 LEU 568 CD1 231 0.413E+00 0.585E-01 -0.152E+00 ILE 635 C 461 ALA 561 O 155 0.864E+00 -0.305E+00 -0.217E-02 ILE 635 C 461 HIS 564 O 185 0.825E+00 -0.314E+00 -0.284E-02 ILE 635 C 461 LEU 565 O 198 0.800E+00 -0.350E+00 -0.342E-02 ILE 635 C 461 LEU 565 CD2 202 0.436E+00 -0.284E+00 -0.109E+00 ILE 635 O 462 ALA 561 C 154 0.878E+00 -0.332E+00 -0.196E-02 ILE 635 O 462 HIS 564 C 184 0.798E+00 -0.454E+00 -0.348E-02 ILE 635 O 462 LEU 565 C 197 0.776E+00 -0.413E+00 -0.412E-02 ILE 635 O 462 LEU 565 CG 200 0.497E+00 -0.352E+00 -0.632E-01 ILE 635 O 462 LEU 565 CD2 202 0.370E+00 0.477E+00 -0.237E+00 ILE 635 O 462 LEU 568 C 227 0.914E+00 -0.313E+00 -0.154E-02 ILE 635 CG1 464 LEU 568 CB 229 0.446E+00 -0.122E-01 -0.112E+00 ILE 635 CG1 464 LEU 568 CD1 231 0.428E+00 -0.115E-01 -0.133E+00 ILE 635 CG2 465 LEU 565 CD2 202 0.432E+00 0.665E-01 -0.128E+00 ILE 635 CD1 466 LEU 565 CD2 202 0.415E+00 0.573E-01 -0.150E+00 ILE 635 CD1 466 LEU 568 CA 226 0.450E+00 0.384E-01 -0.108E+00 ILE 635 CD1 466 LEU 568 CG 230 0.397E+00 -0.100E+00 -0.169E+00 ASN 637 C 481 ALA 561 O 155 0.770E+00 -0.404E+00 -0.431E-02 ASN 637 O 482 ALA 561 C 154 0.813E+00 -0.320E+00 -0.311E-02 ASN 637 ND2 486 HIS 564 C 184 0.105E+01 -0.373E+00 -0.813E-03 TYR 638 N 490 ALA 561 C 154 0.724E+00 -0.367E+00 -0.728E-02 TYR 638 N 490 HIS 564 C 184 0.754E+00 -0.396E+00 -0.572E-02 TYR 638 C 492 ARG 557 O 113 0.879E+00 -0.338E+00 -0.196E-02 TYR 638 C 492 ALA 558 O 130 0.808E+00 -0.374E+00 -0.322E-02 TYR 638 C 492 ILE 559 O 136 0.988E+00 -0.302E+00 -0.968E-03 TYR 638 C 492 GLU 560 O 145 0.836E+00 -0.377E+00 -0.264E-02 TYR 638 C 492 ALA 561 N 152 0.755E+00 -0.308E+00 -0.569E-02 TYR 638 C 492 ALA 561 O 155 0.557E+00 -0.785E+00 -0.292E-01 TYR 638 C 492 ALA 561 CB 156 0.547E+00 -0.339E+00 -0.343E-01 TYR 638 C 492 GLN 562 N 158 0.680E+00 -0.359E+00 -0.106E-01 TYR 638 C 492 GLN 562 O 161 0.816E+00 -0.374E+00 -0.304E-02 TYR 638 C 492 GLN 562 OE1 165 0.998E+00 -0.301E+00 -0.910E-03 TYR 638 C 492 GLN 562 NE2 166 0.891E+00 -0.505E+00 -0.212E-02 TYR 638 C 492 HIS 564 N 182 0.817E+00 -0.349E+00 -0.354E-02 TYR 638 C 492 HIS 564 O 185 0.823E+00 -0.345E+00 -0.290E-02 TYR 638 C 492 HIS 564 ND1 188 0.773E+00 -0.308E+00 -0.493E-02 TYR 638 C 492 LEU 565 N 195 0.663E+00 -0.346E+00 -0.122E-01 TYR 638 C 492 LEU 565 O 198 0.879E+00 -0.326E+00 -0.195E-02 TYR 638 O 493 ARG 557 C 112 0.869E+00 -0.368E+00 -0.209E-02 TYR 638 O 493 ALA 558 C 129 0.806E+00 -0.327E+00 -0.327E-02 TYR 638 O 493 ALA 561 C 154 0.551E+00 -0.698E+00 -0.310E-01 TYR 638 O 493 GLN 562 CD 164 0.820E+00 -0.371E+00 -0.295E-02 TYR 638 O 493 HIS 564 C 184 0.788E+00 -0.394E+00 -0.374E-02 TYR 638 CB 494 ALA 561 O 155 0.433E+00 0.120E+00 -0.131E+00 TYR 638 CB 494 LEU 565 CG 200 0.411E+00 -0.472E-01 -0.155E+00 TYR 638 CB 494 LEU 565 CD2 202 0.368E+00 0.404E-01 -0.168E+00 TYR 638 CG 495 HIS 564 CB 186 0.390E+00 -0.932E-01 -0.155E+00 TYR 638 CG 495 HIS 564 ND1 188 0.450E+00 -0.179E+00 -0.107E+00 TYR 638 CD1 496 ALA 561 O 155 0.445E+00 0.392E+00 -0.100E+00 TYR 638 CD1 496 HIS 564 CB 186 0.399E+00 0.142E+00 -0.149E+00 TYR 638 CD1 496 HIS 564 CG 187 0.432E+00 -0.212E+00 -0.101E+00 TYR 638 CD1 496 HIS 564 ND1 188 0.382E+00 0.444E+00 -0.193E+00 TYR 638 CD1 496 HIS 564 HD1 193 0.296E+00 -0.338E+00 -0.357E-01 TYR 638 CD2 497 HIS 564 C 184 0.474E+00 -0.401E+00 -0.657E-01 TYR 638 CD2 497 HIS 564 CB 186 0.379E+00 0.163E+00 -0.157E+00 TYR 638 CD2 497 LEU 568 CD1 231 0.373E+00 0.138E+00 -0.154E+00 TYR 638 CE1 498 HIS 564 CB 186 0.393E+00 0.148E+00 -0.154E+00 TYR 638 CE1 498 HIS 564 CG 187 0.383E+00 -0.289E+00 -0.140E+00 TYR 638 CE1 498 HIS 564 CE1 190 0.400E+00 -0.240E-01 -0.131E+00 TYR 638 CE1 498 HIS 564 HD1 193 0.210E+00 -0.926E+00 0.159E+00 TYR 638 CE2 499 HIS 564 C 184 0.506E+00 -0.341E+00 -0.466E-01 TYR 638 CE2 499 HIS 564 CB 186 0.368E+00 0.176E+00 -0.148E+00 TYR 638 CE2 499 HIS 564 CG 187 0.410E+00 -0.241E+00 -0.123E+00 TYR 638 CE2 499 HIS 564 ND1 188 0.390E+00 0.418E+00 -0.186E+00 TYR 638 CE2 499 LEU 568 CD1 231 0.427E+00 0.959E-01 -0.119E+00 TYR 638 CZ 500 HIS 564 CB 186 0.377E+00 -0.186E+00 -0.157E+00 TYR 638 CZ 500 HIS 564 CG 187 0.370E+00 0.357E+00 -0.134E+00 TYR 638 CZ 500 HIS 564 ND1 188 0.308E+00 -0.903E+00 0.726E+00 TYR 638 CZ 500 HIS 564 CE1 190 0.402E+00 0.268E-01 -0.129E+00 TYR 638 OH 501 ALA 561 C 154 0.733E+00 -0.310E+00 -0.636E-02 TYR 638 OH 501 HIS 564 C 184 0.632E+00 -0.482E+00 -0.154E-01 TYR 638 OH 501 HIS 564 CB 186 0.426E+00 0.277E+00 -0.153E+00 TYR 638 OH 501 HIS 564 CG 187 0.374E+00 -0.710E+00 -0.212E+00 TYR 638 OH 501 HIS 564 CE1 190 0.348E+00 -0.806E-01 -0.201E+00 TYR 638 OH 501 HIS 564 NE2 191 0.444E+00 0.160E+00 -0.138E+00 TYR 638 OH 501 HIS 564 HD1 193 0.241E+00 -0.142E+01 -0.893E-01 TYR 638 HH 503 GLU 560 O 145 0.656E+00 -0.314E+00 0.000E+00 TYR 638 HH 503 HIS 564 ND1 188 0.274E+00 -0.203E+01 0.000E+00 TYR 638 HH 503 HIS 564 CD2 189 0.457E+00 -0.356E+00 0.000E+00 THR 639 N 504 LEU 565 CD2 202 0.423E+00 0.133E+00 -0.160E+00 THR 639 C 506 ALA 561 O 155 0.802E+00 -0.341E+00 -0.338E-02 THR 639 C 506 GLN 562 NE2 166 0.919E+00 -0.433E+00 -0.176E-02 THR 639 O 507 ALA 561 C 154 0.836E+00 -0.321E+00 -0.263E-02 THR 639 O 507 GLN 562 CD 164 0.915E+00 -0.325E+00 -0.154E-02 THR 639 OG1 509 ALA 561 C 154 0.837E+00 -0.350E+00 -0.289E-02 THR 639 OG1 509 GLN 562 CD 164 0.951E+00 -0.334E+00 -0.135E-02 THR 639 OG1 509 HIS 564 C 184 0.873E+00 -0.378E+00 -0.224E-02 THR 639 OG1 509 LEU 565 C 197 0.803E+00 -0.378E+00 -0.371E-02 THR 639 OG1 509 LEU 565 CG 200 0.450E+00 -0.434E+00 -0.116E+00 THR 639 OG1 509 LEU 565 CD1 201 0.414E+00 0.344E+00 -0.173E+00 THR 639 OG1 509 LEU 565 CD2 202 0.394E+00 0.392E+00 -0.210E+00 THR 639 HG1 512 LEU 565 CD2 202 0.335E+00 -0.409E+00 0.000E+00 SER 640 O 516 ARG 557 C 112 0.102E+01 -0.317E+00 -0.798E-03 LEU 641 C 523 ASN 554 O 84 0.843E+00 -0.302E+00 -0.251E-02 LEU 641 C 523 ARG 557 O 113 0.687E+00 -0.484E+00 -0.850E-02 LEU 641 C 523 ARG 557 NH1 119 0.818E+00 -0.416E+00 -0.352E-02 LEU 641 C 523 ARG 557 NH2 120 0.973E+00 -0.315E+00 -0.125E-02 LEU 641 C 523 ALA 558 N 127 0.726E+00 -0.305E+00 -0.715E-02 LEU 641 C 523 ALA 558 O 130 0.711E+00 -0.435E+00 -0.692E-02 LEU 641 C 523 ALA 561 O 155 0.762E+00 -0.382E+00 -0.458E-02 LEU 641 C 523 ALA 561 CB 156 0.508E+00 -0.370E+00 -0.515E-01 LEU 641 C 523 GLN 562 NE2 166 0.899E+00 -0.458E+00 -0.201E-02 LEU 641 O 524 ASN 554 C 83 0.860E+00 -0.336E+00 -0.223E-02 LEU 641 O 524 ARG 557 C 112 0.686E+00 -0.597E+00 -0.854E-02 LEU 641 O 524 ARG 557 CZ 118 0.805E+00 -0.344E+00 -0.330E-02 LEU 641 O 524 ALA 558 C 129 0.731E+00 -0.413E+00 -0.589E-02 LEU 641 O 524 ALA 561 C 154 0.774E+00 -0.372E+00 -0.418E-02 LEU 641 O 524 GLN 562 CD 164 0.919E+00 -0.326E+00 -0.149E-02 LEU 641 CD2 528 ALA 561 CB 156 0.425E+00 0.123E+00 -0.137E+00 ILE 642 N 530 ARG 557 C 112 0.734E+00 -0.424E+00 -0.671E-02 ILE 642 N 530 ALA 558 C 129 0.703E+00 -0.360E+00 -0.872E-02 ILE 642 N 530 ALA 561 C 154 0.641E+00 -0.432E+00 -0.150E-01 ILE 642 N 530 ALA 561 CB 156 0.464E+00 0.362E+00 -0.104E+00 ILE 642 N 530 GLN 562 CD 164 0.796E+00 -0.335E+00 -0.415E-02 ILE 642 C 532 ASN 554 O 84 0.820E+00 -0.315E+00 -0.296E-02 ILE 642 C 532 ARG 557 O 113 0.767E+00 -0.391E+00 -0.442E-02 ILE 642 C 532 ARG 557 NH1 119 0.985E+00 -0.307E+00 -0.116E-02 ILE 642 C 532 ALA 558 O 130 0.669E+00 -0.487E+00 -0.999E-02 ILE 642 C 532 ALA 561 O 155 0.823E+00 -0.332E+00 -0.290E-02 ILE 642 C 532 GLN 562 OE1 165 0.840E+00 -0.362E+00 -0.256E-02 ILE 642 C 532 GLN 562 NE2 166 0.707E+00 -0.695E+00 -0.841E-02 ILE 642 O 533 ASN 554 C 83 0.849E+00 -0.381E+00 -0.241E-02 ILE 642 O 533 LEU 555 C 94 0.938E+00 -0.301E+00 -0.132E-02 ILE 642 O 533 ARG 557 C 112 0.767E+00 -0.537E+00 -0.440E-02 ILE 642 O 533 ALA 558 C 129 0.685E+00 -0.519E+00 -0.862E-02 ILE 642 O 533 ALA 561 C 154 0.818E+00 -0.374E+00 -0.300E-02 ILE 642 O 533 GLN 562 CD 164 0.738E+00 -0.529E+00 -0.557E-02 ILE 642 CB 534 ALA 561 CB 156 0.451E+00 -0.532E-01 -0.106E+00 ILE 642 CG1 535 ALA 558 O 130 0.441E+00 -0.483E-01 -0.119E+00 ILE 642 CG1 535 ALA 561 CA 153 0.431E+00 -0.259E-02 -0.130E+00 ILE 642 CG1 535 ALA 561 C 154 0.406E+00 0.612E-01 -0.142E+00 ILE 642 CG1 535 ALA 561 O 155 0.449E+00 -0.462E-01 -0.109E+00 ILE 642 CG1 535 GLN 562 N 158 0.419E+00 -0.384E-01 -0.166E+00 ILE 642 CG1 535 GLN 562 CG 163 0.419E+00 -0.198E-02 -0.145E+00 ILE 642 CG2 536 GLN 562 CG 163 0.419E+00 0.117E-01 -0.145E+00 ILE 642 CG2 536 GLN 562 CD 164 0.463E+00 -0.305E+00 -0.834E-01 ILE 642 CG2 536 GLN 562 NE2 166 0.421E+00 0.511E+00 -0.163E+00 ILE 642 CD1 537 ALA 561 CA 153 0.455E+00 0.103E-01 -0.102E+00 ILE 642 CD1 537 ALA 561 C 154 0.380E+00 -0.335E+00 -0.157E+00 ILE 642 CD1 537 ALA 561 O 155 0.392E+00 0.300E+00 -0.200E+00 ILE 642 CD1 537 ALA 561 CB 156 0.399E+00 0.119E+00 -0.168E+00 ILE 642 CD1 537 GLN 562 N 158 0.383E+00 0.223E+00 -0.217E+00 ILE 642 CD1 537 GLN 562 CA 159 0.384E+00 -0.212E-01 -0.177E+00 ILE 642 CD1 537 GLN 562 CB 162 0.439E+00 0.129E-01 -0.120E+00 ILE 642 CD1 537 GLN 562 CG 163 0.361E+00 0.134E-01 -0.151E+00 ILE 642 CD1 537 LEU 565 CB 199 0.455E+00 0.533E-01 -0.103E+00 ILE 642 CD1 537 LEU 565 CG 200 0.372E+00 -0.120E+00 -0.172E+00 ILE 642 CD1 537 LEU 565 CD1 201 0.377E+00 0.737E-01 -0.177E+00 HIS 643 N 539 ARG 557 C 112 0.908E+00 -0.343E+00 -0.188E-02 HIS 643 N 539 ALA 558 C 129 0.835E+00 -0.308E+00 -0.313E-02 HIS 643 N 539 GLN 562 CD 164 0.844E+00 -0.355E+00 -0.293E-02 HIS 643 C 541 ARG 557 NH1 119 0.101E+01 -0.344E+00 -0.995E-03 HIS 643 C 541 ALA 558 O 130 0.941E+00 -0.310E+00 -0.130E-02 HIS 643 C 541 GLN 562 NE2 166 0.961E+00 -0.477E+00 -0.134E-02 SER 644 N 552 ARG 557 C 112 0.960E+00 -0.323E+00 -0.135E-02 SER 644 C 554 ASN 554 O 84 0.755E+00 -0.310E+00 -0.485E-02 SER 644 C 554 ASN 554 ND2 88 0.888E+00 -0.349E+00 -0.216E-02 SER 644 C 554 ARG 557 NH1 119 0.748E+00 -0.412E+00 -0.603E-02 SER 644 C 554 ARG 557 NH2 120 0.809E+00 -0.358E+00 -0.376E-02 SER 644 O 555 ASN 554 C 83 0.815E+00 -0.382E+00 -0.306E-02 SER 644 O 555 ASN 554 CG 86 0.742E+00 -0.428E+00 -0.536E-02 SER 644 O 555 ARG 557 C 112 0.929E+00 -0.365E+00 -0.140E-02 SER 644 O 555 ARG 557 CZ 118 0.803E+00 -0.360E+00 -0.336E-02 SER 644 OG 557 ARG 557 C 112 0.101E+01 -0.352E+00 -0.915E-03 SER 644 OG 557 ARG 557 CZ 118 0.911E+00 -0.321E+00 -0.174E-02 LEU 645 N 560 ARG 557 C 112 0.741E+00 -0.328E+00 -0.637E-02 LEU 645 C 562 GLN 550 NE2 42 0.999E+00 -0.390E+00 -0.107E-02 LEU 645 C 562 GLN 551 O 49 0.822E+00 -0.341E+00 -0.292E-02 LEU 645 C 562 GLN 551 OE1 53 0.731E+00 -0.467E+00 -0.586E-02 LEU 645 C 562 GLN 551 NE2 54 0.851E+00 -0.502E+00 -0.279E-02 LEU 645 C 562 ASN 553 O 73 0.822E+00 -0.316E+00 -0.292E-02 LEU 645 C 562 ASN 554 O 84 0.521E+00 -0.796E+00 -0.430E-01 LEU 645 C 562 ASN 554 OD1 87 0.650E+00 -0.494E+00 -0.118E-01 LEU 645 C 562 ASN 554 ND2 88 0.727E+00 -0.588E+00 -0.712E-02 LEU 645 C 562 LEU 555 N 92 0.676E+00 -0.307E+00 -0.110E-01 LEU 645 C 562 LEU 555 O 95 0.755E+00 -0.391E+00 -0.484E-02 LEU 645 C 562 ARG 557 O 113 0.774E+00 -0.387E+00 -0.417E-02 LEU 645 C 562 ARG 557 NH1 119 0.763E+00 -0.471E+00 -0.534E-02 LEU 645 C 562 ARG 557 NH2 120 0.768E+00 -0.466E+00 -0.516E-02 LEU 645 C 562 ALA 558 N 127 0.634E+00 -0.399E+00 -0.160E-01 LEU 645 C 562 ALA 558 O 130 0.772E+00 -0.374E+00 -0.425E-02 LEU 645 C 562 ALA 558 CB 131 0.522E+00 -0.348E+00 -0.446E-01 LEU 645 C 562 GLN 562 NE2 166 0.905E+00 -0.454E+00 -0.193E-02 LEU 645 O 563 GLN 551 CD 52 0.718E+00 -0.501E+00 -0.655E-02 LEU 645 O 563 ASN 553 C 72 0.789E+00 -0.389E+00 -0.373E-02 LEU 645 O 563 ASN 554 C 83 0.534E+00 -0.860E+00 -0.371E-01 LEU 645 O 563 ASN 554 CG 86 0.549E+00 -0.765E+00 -0.318E-01 LEU 645 O 563 LEU 555 C 94 0.747E+00 -0.399E+00 -0.517E-02 LEU 645 O 563 ARG 557 C 112 0.755E+00 -0.498E+00 -0.485E-02 LEU 645 O 563 ARG 557 CZ 118 0.755E+00 -0.386E+00 -0.486E-02 LEU 645 O 563 ALA 558 C 129 0.780E+00 -0.367E+00 -0.399E-02 LEU 645 CB 564 ASN 554 O 84 0.422E+00 0.334E+00 -0.147E+00 LEU 645 CB 564 ALA 558 N 127 0.454E+00 0.214E+00 -0.115E+00 LEU 645 CB 564 ALA 558 CA 128 0.440E+00 0.160E-01 -0.119E+00 LEU 645 CB 564 ALA 558 CB 131 0.427E+00 0.142E+00 -0.135E+00 LEU 645 CG 565 ASN 554 O 84 0.471E+00 -0.338E+00 -0.841E-01 LEU 645 CG 565 ARG 557 O 113 0.507E+00 -0.313E+00 -0.566E-01 LEU 645 CG 565 ARG 557 CB 114 0.449E+00 -0.268E-01 -0.108E+00 LEU 645 CG 565 ARG 557 NH1 119 0.489E+00 -0.405E+00 -0.792E-01 LEU 645 CG 565 ALA 558 N 127 0.462E+00 -0.275E+00 -0.106E+00 LEU 645 CD1 566 ASN 554 O 84 0.438E+00 0.259E+00 -0.123E+00 LEU 645 CD1 566 ARG 557 CA 111 0.403E+00 0.802E-01 -0.164E+00 LEU 645 CD1 566 ARG 557 C 112 0.339E+00 -0.709E+00 0.576E-02 LEU 645 CD1 566 ARG 557 O 113 0.361E+00 0.473E+00 -0.245E+00 LEU 645 CD1 566 ALA 558 N 127 0.349E+00 0.364E+00 -0.167E+00 LEU 645 CD1 566 ALA 558 CA 128 0.377E+00 0.205E-01 -0.176E+00 LEU 645 CD1 566 ALA 558 CB 131 0.447E+00 0.108E+00 -0.111E+00 LEU 645 CD2 567 ARG 557 CB 114 0.429E+00 0.193E-01 -0.132E+00 LEU 645 CD2 567 ARG 557 NE 117 0.444E+00 -0.223E+00 -0.129E+00 LEU 645 CD2 567 ARG 557 CZ 118 0.394E+00 -0.369E+00 -0.153E+00 LEU 645 CD2 567 ARG 557 NH1 119 0.352E+00 0.604E+00 -0.181E+00 LEU 645 CD2 567 ARG 557 NH2 120 0.450E+00 0.317E+00 -0.121E+00 ILE 646 N 569 ASN 554 C 83 0.680E+00 -0.415E+00 -0.106E-01 ILE 646 N 569 ASN 554 CG 86 0.762E+00 -0.316E+00 -0.536E-02 ILE 646 N 569 ARG 557 C 112 0.774E+00 -0.385E+00 -0.491E-02 ILE 646 N 569 ALA 558 C 129 0.735E+00 -0.330E+00 -0.666E-02 ILE 646 C 571 GLN 551 OE1 53 0.756E+00 -0.436E+00 -0.482E-02 ILE 646 C 571 GLN 551 NE2 54 0.803E+00 -0.550E+00 -0.395E-02 ILE 646 C 571 ASN 554 O 84 0.756E+00 -0.364E+00 -0.482E-02 ILE 646 C 571 ASN 554 ND2 88 0.870E+00 -0.425E+00 -0.245E-02 ILE 646 C 571 GLN 562 NE2 166 0.957E+00 -0.412E+00 -0.137E-02 ILE 646 O 572 GLN 551 CD 52 0.748E+00 -0.514E+00 -0.510E-02 ILE 646 O 572 ASN 554 C 83 0.806E+00 -0.416E+00 -0.329E-02 ILE 646 O 572 ASN 554 CG 86 0.807E+00 -0.393E+00 -0.326E-02 ILE 646 O 572 ARG 557 C 112 0.105E+01 -0.325E+00 -0.682E-03 GLU 647 C 580 GLN 550 NE2 42 0.101E+01 -0.314E+00 -0.997E-03 GLU 647 C 580 GLN 551 OE1 53 0.766E+00 -0.352E+00 -0.445E-02 GLU 647 C 580 GLN 551 NE2 54 0.831E+00 -0.428E+00 -0.321E-02 GLU 647 C 580 ASN 554 ND2 88 0.804E+00 -0.401E+00 -0.390E-02 GLU 647 O 581 GLN 551 CD 52 0.820E+00 -0.418E+00 -0.295E-02 GLU 647 O 581 ASN 554 C 83 0.956E+00 -0.301E+00 -0.118E-02 GLU 647 O 581 ASN 554 CG 86 0.806E+00 -0.377E+00 -0.329E-02 GLU 648 N 588 ASN 554 CG 86 0.674E+00 -0.376E+00 -0.112E-01 GLU 648 C 590 GLN 550 O 37 0.787E+00 -0.301E+00 -0.378E-02 GLU 648 C 590 GLN 550 NE2 42 0.729E+00 -0.541E+00 -0.698E-02 GLU 648 C 590 GLN 551 O 49 0.757E+00 -0.323E+00 -0.476E-02 GLU 648 C 590 GLN 551 OE1 53 0.519E+00 -0.788E+00 -0.438E-01 GLU 648 C 590 GLN 551 NE2 54 0.629E+00 -0.724E+00 -0.167E-01 GLU 648 C 590 ASN 554 O 84 0.738E+00 -0.314E+00 -0.556E-02 GLU 648 C 590 ASN 554 OD1 87 0.563E+00 -0.550E+00 -0.275E-01 GLU 648 C 590 ASN 554 ND2 88 0.518E+00 -0.986E+00 -0.512E-01 GLU 648 C 590 ARG 557 NH1 119 0.883E+00 -0.301E+00 -0.223E-02 GLU 648 C 590 ARG 557 NH2 120 0.777E+00 -0.374E+00 -0.478E-02 GLU 648 O 591 GLN 550 CD 40 0.804E+00 -0.432E+00 -0.332E-02 GLU 648 O 591 GLN 551 CD 52 0.587E+00 -0.801E+00 -0.215E-01 GLU 648 O 591 ASN 553 C 72 0.927E+00 -0.316E+00 -0.142E-02 GLU 648 O 591 ASN 554 C 83 0.776E+00 -0.425E+00 -0.410E-02 GLU 648 O 591 ASN 554 CG 86 0.535E+00 -0.860E+00 -0.366E-01 GLU 648 CG 593 ASN 554 CG 86 0.429E+00 -0.842E-01 -0.117E+00 GLU 648 CG 593 ASN 554 OD1 87 0.406E+00 0.878E-01 -0.176E+00 GLU 648 CG 593 ASN 554 ND2 88 0.449E+00 0.101E+00 -0.122E+00 GLU 648 CD 594 GLY 547 O 15 0.957E+00 -0.320E+00 -0.117E-02 GLU 648 CD 594 GLN 550 O 37 0.671E+00 -0.662E+00 -0.975E-02 GLU 648 CD 594 GLN 550 OE1 41 0.663E+00 -0.754E+00 -0.105E-01 GLU 648 CD 594 GLN 550 NE2 42 0.512E+00 -0.186E+01 -0.543E-01 GLU 648 CD 594 GLN 551 N 46 0.794E+00 -0.331E+00 -0.422E-02 GLU 648 CD 594 GLN 551 O 49 0.795E+00 -0.481E+00 -0.355E-02 GLU 648 CD 594 GLN 551 OE1 53 0.734E+00 -0.619E+00 -0.574E-02 GLU 648 CD 594 GLN 551 NE2 54 0.925E+00 -0.585E+00 -0.169E-02 GLU 648 CD 594 GLN 552 O 61 0.997E+00 -0.334E+00 -0.918E-03 GLU 648 CD 594 ASN 553 N 70 0.884E+00 -0.306E+00 -0.222E-02 GLU 648 CD 594 ASN 553 O 73 0.764E+00 -0.480E+00 -0.453E-02 GLU 648 CD 594 ASN 553 OD1 76 0.842E+00 -0.406E+00 -0.252E-02 GLU 648 CD 594 ASN 553 ND2 77 0.826E+00 -0.624E+00 -0.333E-02 GLU 648 CD 594 ASN 554 N 81 0.647E+00 -0.542E+00 -0.141E-01 GLU 648 CD 594 ASN 554 O 84 0.693E+00 -0.577E+00 -0.808E-02 GLU 648 CD 594 ASN 554 CG 86 0.391E+00 0.240E+01 -0.137E+00 GLU 648 CD 594 ASN 554 OD1 87 0.326E+00 -0.356E+01 -0.105E+00 GLU 648 CD 594 ASN 554 ND2 88 0.437E+00 -0.242E+01 -0.122E+00 GLU 648 CD 594 LEU 555 N 92 0.788E+00 -0.307E+00 -0.440E-02 GLU 648 CD 594 LEU 555 O 95 0.103E+01 -0.317E+00 -0.777E-03 GLU 648 CD 594 ARG 557 O 113 0.103E+01 -0.327E+00 -0.770E-03 GLU 648 CD 594 ARG 557 NH1 119 0.503E+00 -0.151E+01 -0.603E-01 GLU 648 CD 594 ARG 557 NH2 120 0.401E+00 -0.264E+01 -0.172E+00 GLU 648 OE1 595 GLN 550 C 36 0.800E+00 -0.381E+00 -0.343E-02 GLU 648 OE1 595 GLN 550 CD 40 0.711E+00 -0.753E+00 -0.694E-02 GLU 648 OE1 595 GLN 551 C 48 0.863E+00 -0.334E+00 -0.218E-02 GLU 648 OE1 595 GLN 551 CD 52 0.901E+00 -0.497E+00 -0.169E-02 GLU 648 OE1 595 ASN 553 C 72 0.712E+00 -0.694E+00 -0.689E-02 GLU 648 OE1 595 ASN 553 CG 75 0.795E+00 -0.537E+00 -0.357E-02 GLU 648 OE1 595 ASN 554 C 83 0.640E+00 -0.857E+00 -0.129E-01 GLU 648 OE1 595 ASN 554 CG 86 0.417E+00 -0.219E+01 -0.137E+00 GLU 648 OE1 595 ASN 554 OD1 87 0.340E+00 0.342E+01 -0.336E+00 GLU 648 OE1 595 LEU 555 C 94 0.929E+00 -0.406E+00 -0.140E-02 GLU 648 OE1 595 LEU 556 C 103 0.984E+00 -0.372E+00 -0.990E-03 GLU 648 OE1 595 ARG 557 C 112 0.849E+00 -0.599E+00 -0.241E-02 GLU 648 OE1 595 ARG 557 NE 117 0.538E+00 -0.942E+00 -0.437E-01 GLU 648 OE1 595 ARG 557 CZ 118 0.424E+00 -0.204E+01 -0.128E+00 GLU 648 OE1 595 ARG 557 NH1 119 0.415E+00 0.261E+01 -0.177E+00 GLU 648 OE1 595 ARG 557 NH2 120 0.362E+00 0.373E+01 -0.293E+00 GLU 648 OE1 595 ALA 558 C 129 0.103E+01 -0.346E+00 -0.758E-03 GLU 648 OE2 596 GLY 547 C 14 0.101E+01 -0.363E+00 -0.847E-03 GLU 648 OE2 596 GLN 550 C 36 0.695E+00 -0.494E+00 -0.795E-02 GLU 648 OE2 596 GLN 550 CD 40 0.534E+00 -0.138E+01 -0.372E-01 GLU 648 OE2 596 GLN 550 NE2 42 0.418E+00 0.331E+01 -0.172E+00 GLU 648 OE2 596 GLN 551 C 48 0.828E+00 -0.358E+00 -0.279E-02 GLU 648 OE2 596 GLN 551 CD 52 0.883E+00 -0.513E+00 -0.190E-02 GLU 648 OE2 596 ASN 553 C 72 0.728E+00 -0.666E+00 -0.603E-02 GLU 648 OE2 596 ASN 553 CG 75 0.762E+00 -0.578E+00 -0.458E-02 GLU 648 OE2 596 ASN 554 C 83 0.722E+00 -0.676E+00 -0.635E-02 GLU 648 OE2 596 ASN 554 CG 86 0.396E+00 -0.251E+01 -0.171E+00 GLU 648 OE2 596 ASN 554 OD1 87 0.317E+00 0.414E+01 -0.307E+00 GLU 648 OE2 596 ASN 554 ND2 88 0.422E+00 0.284E+01 -0.163E+00 GLU 648 OE2 596 LEU 555 C 94 0.102E+01 -0.351E+00 -0.787E-03 GLU 648 OE2 596 ARG 557 C 112 0.999E+00 -0.463E+00 -0.908E-03 GLU 648 OE2 596 ARG 557 NE 117 0.593E+00 -0.757E+00 -0.246E-01 GLU 648 OE2 596 ARG 557 CZ 118 0.478E+00 -0.152E+01 -0.694E-01 GLU 648 OE2 596 ARG 557 NH2 120 0.365E+00 0.365E+01 -0.288E+00 SER 649 N 598 GLN 550 CD 40 0.888E+00 -0.334E+00 -0.215E-02 SER 649 N 598 GLN 551 CD 52 0.550E+00 -0.844E+00 -0.364E-01 SER 649 N 598 GLN 551 OE1 53 0.451E+00 0.127E+01 -0.117E+00 SER 649 N 598 ASN 553 C 72 0.837E+00 -0.340E+00 -0.307E-02 SER 649 N 598 ASN 554 C 83 0.628E+00 -0.584E+00 -0.168E-01 SER 649 N 598 ASN 554 CG 86 0.497E+00 -0.935E+00 -0.643E-01 SER 649 N 598 ARG 557 C 112 0.980E+00 -0.313E+00 -0.120E-02 SER 649 N 598 ARG 557 CZ 118 0.848E+00 -0.305E+00 -0.284E-02 SER 649 CA 599 GLN 551 CD 52 0.417E+00 0.360E+00 -0.131E+00 SER 649 CA 599 GLN 551 OE1 53 0.330E+00 -0.634E+00 -0.154E+00 SER 649 CA 599 GLN 551 NE2 54 0.416E+00 -0.478E+00 -0.170E+00 SER 649 C 600 GLN 550 NE2 42 0.881E+00 -0.399E+00 -0.226E-02 SER 649 C 600 GLN 551 O 49 0.697E+00 -0.388E+00 -0.782E-02 SER 649 C 600 GLN 551 CD 52 0.430E+00 0.136E+01 -0.103E+00 SER 649 C 600 GLN 551 OE1 53 0.380E+00 -0.177E+01 -0.197E+00 SER 649 C 600 GLN 551 NE2 54 0.386E+00 -0.238E+01 -0.190E+00 SER 649 C 600 ASN 554 OD1 87 0.728E+00 -0.333E+00 -0.604E-02 SER 649 C 600 ASN 554 ND2 88 0.617E+00 -0.688E+00 -0.188E-01 SER 649 O 601 GLY 547 C 14 0.882E+00 -0.315E+00 -0.191E-02 SER 649 O 601 GLN 550 CD 40 0.968E+00 -0.313E+00 -0.110E-02 SER 649 O 601 GLN 551 C 48 0.710E+00 -0.334E+00 -0.697E-02 SER 649 O 601 GLN 551 CD 52 0.365E+00 -0.251E+01 -0.215E+00 SER 649 O 601 GLN 551 OE1 53 0.342E+00 0.282E+01 -0.332E+00 SER 649 O 601 ASN 554 C 83 0.786E+00 -0.407E+00 -0.380E-02 SER 649 O 601 ASN 554 CG 86 0.669E+00 -0.524E+00 -0.998E-02 SER 649 CB 602 GLN 551 CD 52 0.418E+00 0.446E+00 -0.130E+00 SER 649 CB 602 GLN 551 OE1 53 0.338E+00 -0.737E+00 -0.209E+00 SER 649 CB 602 GLN 551 NE2 54 0.417E+00 -0.591E+00 -0.169E+00 SER 649 CB 602 ASN 554 CB 85 0.437E+00 -0.560E-01 -0.123E+00 SER 649 CB 602 LEU 555 CD2 99 0.446E+00 -0.696E-01 -0.112E+00 SER 649 OG 603 GLN 550 C 36 0.730E+00 -0.349E+00 -0.655E-02 SER 649 OG 603 GLN 550 CD 40 0.899E+00 -0.388E+00 -0.189E-02 SER 649 OG 603 GLN 551 C 48 0.570E+00 -0.579E+00 -0.281E-01 SER 649 OG 603 GLN 551 CD 52 0.455E+00 -0.157E+01 -0.985E-01 SER 649 OG 603 GLN 551 OE1 53 0.357E+00 0.276E+01 -0.314E+00 SER 649 OG 603 GLN 552 C 60 0.733E+00 -0.346E+00 -0.637E-02 SER 649 OG 603 ASN 553 C 72 0.644E+00 -0.657E+00 -0.137E-01 SER 649 OG 603 ASN 553 CG 75 0.911E+00 -0.332E+00 -0.175E-02 SER 649 OG 603 ASN 554 CA 82 0.416E+00 -0.132E+00 -0.169E+00 SER 649 OG 603 ASN 554 C 83 0.387E+00 -0.220E+01 -0.197E+00 SER 649 OG 603 ASN 554 O 84 0.405E+00 0.165E+01 -0.192E+00 SER 649 OG 603 ASN 554 CG 86 0.432E+00 -0.156E+01 -0.127E+00 SER 649 OG 603 LEU 555 N 92 0.421E+00 0.101E+01 -0.179E+00 SER 649 OG 603 LEU 555 C 94 0.596E+00 -0.718E+00 -0.217E-01 SER 649 OG 603 LEU 555 CG 97 0.490E+00 -0.376E+00 -0.746E-01 SER 649 OG 603 LEU 555 CD2 99 0.409E+00 0.377E+00 -0.182E+00 SER 649 OG 603 LEU 556 C 103 0.820E+00 -0.387E+00 -0.327E-02 SER 649 OG 603 ARG 557 C 112 0.765E+00 -0.558E+00 -0.496E-02 SER 649 OG 603 ARG 557 NE 117 0.801E+00 -0.327E+00 -0.460E-02 SER 649 OG 603 ARG 557 CZ 118 0.783E+00 -0.414E+00 -0.430E-02 SER 649 OG 603 ALA 558 C 129 0.789E+00 -0.412E+00 -0.412E-02 SER 649 OG 603 GLN 562 CD 164 0.103E+01 -0.316E+00 -0.852E-03 SER 649 HG 605 GLN 550 O 37 0.574E+00 -0.536E+00 0.000E+00 SER 649 HG 605 GLN 550 NE2 42 0.739E+00 -0.501E+00 0.000E+00 SER 649 HG 605 GLN 551 N 46 0.598E+00 -0.335E+00 0.000E+00 SER 649 HG 605 GLN 551 O 49 0.389E+00 -0.137E+01 0.000E+00 SER 649 HG 605 GLN 551 OE1 53 0.287E+00 -0.356E+01 0.000E+00 SER 649 HG 605 GLN 551 NE2 54 0.449E+00 -0.149E+01 0.000E+00 SER 649 HG 605 GLN 552 N 58 0.604E+00 -0.329E+00 0.000E+00 SER 649 HG 605 GLN 552 O 61 0.669E+00 -0.388E+00 0.000E+00 SER 649 HG 605 ASN 553 N 70 0.663E+00 -0.301E+00 0.000E+00 SER 649 HG 605 ASN 553 O 73 0.618E+00 -0.424E+00 0.000E+00 SER 649 HG 605 ASN 554 N 81 0.460E+00 -0.684E+00 0.000E+00 SER 649 HG 605 ASN 554 O 84 0.393E+00 -0.124E+01 0.000E+00 SER 649 HG 605 ASN 554 CB 85 0.253E+00 -0.769E+00 0.000E+00 SER 649 HG 605 ASN 554 OD1 87 0.459E+00 -0.841E+00 0.000E+00 SER 649 HG 605 ASN 554 ND2 88 0.404E+00 -0.172E+01 0.000E+00 SER 649 HG 605 LEU 555 N 92 0.372E+00 -0.975E+00 0.000E+00 SER 649 HG 605 LEU 555 O 95 0.628E+00 -0.436E+00 0.000E+00 SER 649 HG 605 ARG 557 NH1 119 0.825E+00 -0.320E+00 0.000E+00 SER 649 HG 605 ARG 557 NH2 120 0.705E+00 -0.425E+00 0.000E+00 GLN 650 N 606 GLN 551 CD 52 0.555E+00 -0.591E+00 -0.345E-01 GLN 650 C 608 GLN 551 OE1 53 0.640E+00 -0.443E+00 -0.129E-01 GLN 650 C 608 GLN 551 NE2 54 0.586E+00 -0.752E+00 -0.254E-01 GLN 650 C 608 ASN 554 ND2 88 0.856E+00 -0.322E+00 -0.269E-02 GLN 650 O 609 GLN 551 CD 52 0.687E+00 -0.552E+00 -0.851E-02 GLN 650 CD 612 GLN 551 OE1 53 0.962E+00 -0.342E+00 -0.114E-02 GLN 650 CD 612 GLN 551 NE2 54 0.908E+00 -0.526E+00 -0.189E-02 GLN 650 NE2 614 GLN 551 CD 52 0.103E+01 -0.431E+00 -0.862E-03 ASN 651 N 618 GLN 551 CD 52 0.686E+00 -0.422E+00 -0.101E-01 ASN 651 C 620 GLY 547 O 15 0.843E+00 -0.316E+00 -0.251E-02 ASN 651 C 620 GLN 550 NE2 42 0.872E+00 -0.519E+00 -0.241E-02 ASN 651 C 620 GLN 551 OE1 53 0.646E+00 -0.640E+00 -0.122E-01 ASN 651 C 620 GLN 551 NE2 54 0.637E+00 -0.927E+00 -0.156E-01 ASN 651 C 620 ASN 554 ND2 88 0.762E+00 -0.579E+00 -0.537E-02 ASN 651 O 621 GLN 551 CD 52 0.723E+00 -0.464E+00 -0.626E-02 ASN 651 CG 623 GLN 550 NE2 42 0.103E+01 -0.382E+00 -0.908E-03 ASN 651 CG 623 GLN 551 OE1 53 0.885E+00 -0.340E+00 -0.187E-02 ASN 651 CG 623 GLN 551 NE2 54 0.910E+00 -0.458E+00 -0.186E-02 ASN 651 CG 623 ASN 554 ND2 88 0.924E+00 -0.396E+00 -0.171E-02 ASN 651 ND2 625 GLN 551 CD 52 0.989E+00 -0.409E+00 -0.114E-02 ASN 651 ND2 625 ASN 554 CG 86 0.931E+00 -0.391E+00 -0.162E-02 GLN 652 N 629 GLN 551 CD 52 0.566E+00 -0.567E+00 -0.310E-01 GLN 652 N 629 ASN 554 CG 86 0.712E+00 -0.309E+00 -0.807E-02 GLN 652 C 631 GLY 547 O 15 0.599E+00 -0.413E+00 -0.191E-01 GLN 652 C 631 GLN 550 NE2 42 0.805E+00 -0.404E+00 -0.389E-02 GLN 652 C 631 GLN 551 OE1 53 0.482E+00 -0.836E+00 -0.660E-01 GLN 652 C 631 GLN 551 NE2 54 0.440E+00 -0.147E+01 -0.119E+00 GLN 652 C 631 ASN 554 ND2 88 0.676E+00 -0.495E+00 -0.110E-01 GLN 652 O 632 GLY 547 C 14 0.610E+00 -0.612E+00 -0.172E-01 GLN 652 O 632 ILE 548 C 19 0.834E+00 -0.329E+00 -0.267E-02 GLN 652 O 632 GLN 550 CD 40 0.894E+00 -0.345E+00 -0.177E-02 GLN 652 O 632 GLN 551 CD 52 0.520E+00 -0.100E+01 -0.434E-01 GLN 652 O 632 ASN 554 CG 86 0.848E+00 -0.329E+00 -0.243E-02 GLN 652 CB 633 GLN 551 CD 52 0.429E+00 -0.905E-01 -0.117E+00 GLN 652 CB 633 GLN 551 OE1 53 0.387E+00 0.111E+00 -0.210E+00 GLN 652 CB 633 GLN 551 NE2 54 0.465E+00 0.980E-01 -0.102E+00 GLN 652 CB 633 ASN 554 ND2 88 0.445E+00 0.966E-01 -0.127E+00 GLN 652 CG 634 GLY 547 O 15 0.367E+00 0.651E-01 -0.241E+00 GLN 652 CG 634 GLN 551 N 46 0.409E+00 0.371E-01 -0.182E+00 GLN 652 CG 634 GLN 551 CA 47 0.409E+00 -0.356E-02 -0.158E+00 GLN 652 CG 634 GLN 551 CB 50 0.391E+00 0.344E-02 -0.174E+00 GLN 652 CG 634 GLN 551 CD 52 0.440E+00 -0.531E-01 -0.105E+00 GLN 652 CG 634 GLN 551 OE1 53 0.410E+00 0.600E-01 -0.168E+00 GLN 652 CG 634 ASN 554 ND2 88 0.414E+00 0.727E-01 -0.174E+00 GLN 652 CD 635 SER 546 N 4 0.842E+00 -0.365E+00 -0.297E-02 GLN 652 CD 635 SER 546 O 7 0.610E+00 -0.723E+00 -0.171E-01 GLN 652 CD 635 SER 546 OG 9 0.738E+00 -0.545E+00 -0.611E-02 GLN 652 CD 635 GLY 547 N 12 0.561E+00 -0.558E+00 -0.325E-01 GLN 652 CD 635 GLY 547 CA 13 0.426E+00 -0.372E+00 -0.120E+00 GLN 652 CD 635 GLY 547 O 15 0.380E+00 -0.198E+01 -0.197E+00 GLN 652 CD 635 ILE 548 N 17 0.574E+00 -0.641E+00 -0.286E-01 GLN 652 CD 635 ILE 548 O 20 0.719E+00 -0.555E+00 -0.649E-02 GLN 652 CD 635 VAL 549 N 26 0.743E+00 -0.378E+00 -0.624E-02 GLN 652 CD 635 VAL 549 O 29 0.781E+00 -0.311E+00 -0.396E-02 GLN 652 CD 635 GLN 550 N 34 0.607E+00 -0.487E+00 -0.207E-01 GLN 652 CD 635 GLN 550 O 37 0.573E+00 -0.804E+00 -0.247E-01 GLN 652 CD 635 GLN 550 CB 38 0.415E+00 -0.986E-01 -0.133E+00 GLN 652 CD 635 GLN 550 OE1 41 0.617E+00 -0.762E+00 -0.160E-01 GLN 652 CD 635 GLN 550 NE2 42 0.446E+00 -0.227E+01 -0.112E+00 GLN 652 CD 635 GLN 551 N 46 0.468E+00 -0.884E+00 -0.882E-01 GLN 652 CD 635 GLN 551 O 49 0.723E+00 -0.500E+00 -0.625E-02 GLN 652 CD 635 GLN 551 OE1 53 0.557E+00 -0.952E+00 -0.291E-01 GLN 652 CD 635 GLN 551 NE2 54 0.655E+00 -0.950E+00 -0.133E-01 GLN 652 CD 635 GLN 552 N 58 0.734E+00 -0.333E+00 -0.671E-02 GLN 652 CD 635 ASN 553 ND2 77 0.102E+01 -0.392E+00 -0.957E-03 GLN 652 CD 635 ASN 554 N 81 0.806E+00 -0.312E+00 -0.384E-02 GLN 652 CD 635 ASN 554 OD1 87 0.671E+00 -0.540E+00 -0.980E-02 GLN 652 CD 635 ASN 554 ND2 88 0.478E+00 -0.170E+01 -0.790E-01 GLN 652 CD 635 ARG 557 NH2 120 0.898E+00 -0.416E+00 -0.202E-02 GLN 652 OE1 636 SER 546 C 6 0.651E+00 -0.493E+00 -0.116E-01 GLN 652 OE1 636 SER 546 HG 11 0.811E+00 -0.302E+00 0.000E+00 GLN 652 OE1 636 GLY 547 C 14 0.514E+00 -0.997E+00 -0.463E-01 GLN 652 OE1 636 GLY 547 O 15 0.450E+00 0.120E+01 -0.102E+00 GLN 652 OE1 636 ILE 548 C 19 0.754E+00 -0.438E+00 -0.489E-02 GLN 652 OE1 636 VAL 549 C 28 0.730E+00 -0.365E+00 -0.593E-02 GLN 652 OE1 636 GLN 550 C 36 0.504E+00 -0.752E+00 -0.516E-01 GLN 652 OE1 636 GLN 550 CB 38 0.389E+00 0.110E+00 -0.205E+00 GLN 652 OE1 636 GLN 550 CG 39 0.382E+00 0.718E-01 -0.218E+00 GLN 652 OE1 636 GLN 550 CD 40 0.414E+00 -0.195E+01 -0.143E+00 GLN 652 OE1 636 GLN 550 NE2 42 0.350E+00 0.402E+01 -0.306E+00 GLN 652 OE1 636 GLN 551 C 48 0.694E+00 -0.377E+00 -0.801E-02 GLN 652 OE1 636 GLN 551 CD 52 0.666E+00 -0.652E+00 -0.102E-01 GLN 652 OE1 636 ASN 553 C 72 0.895E+00 -0.354E+00 -0.175E-02 GLN 652 OE1 636 ASN 553 CG 75 0.950E+00 -0.304E+00 -0.122E-02 GLN 652 OE1 636 ASN 554 C 83 0.924E+00 -0.336E+00 -0.145E-02 GLN 652 OE1 636 ASN 554 CG 86 0.572E+00 -0.784E+00 -0.249E-01 GLN 652 OE1 636 ASN 554 ND2 88 0.449E+00 0.186E+01 -0.120E+00 GLN 652 NE2 637 SER 546 C 6 0.575E+00 -0.903E+00 -0.283E-01 GLN 652 NE2 637 SER 546 HG 11 0.695E+00 -0.562E+00 0.000E+00 GLN 652 NE2 637 GLY 547 CA 13 0.352E+00 0.813E+00 -0.183E+00 GLN 652 NE2 637 GLY 547 C 14 0.400E+00 -0.260E+01 -0.173E+00 GLN 652 NE2 637 GLY 547 O 15 0.370E+00 0.281E+01 -0.280E+00 GLN 652 NE2 637 ILE 548 C 19 0.690E+00 -0.729E+00 -0.973E-02 GLN 652 NE2 637 VAL 549 C 28 0.749E+00 -0.489E+00 -0.595E-02 GLN 652 NE2 637 VAL 549 CB 30 0.882E+00 -0.326E+00 -0.254E-02 GLN 652 NE2 637 GLN 550 C 36 0.580E+00 -0.768E+00 -0.268E-01 GLN 652 NE2 637 GLN 550 CB 38 0.456E+00 0.103E+00 -0.113E+00 GLN 652 NE2 637 GLN 550 CD 40 0.573E+00 -0.126E+01 -0.287E-01 GLN 652 NE2 637 GLN 551 C 48 0.733E+00 -0.477E+00 -0.675E-02 GLN 652 NE2 637 GLN 551 CD 52 0.655E+00 -0.950E+00 -0.133E-01 GLN 652 NE2 637 ASN 553 C 72 0.102E+01 -0.406E+00 -0.936E-03 GLN 652 NE2 637 ASN 554 C 83 0.104E+01 -0.394E+00 -0.825E-03 GLN 652 NE2 637 ASN 554 CG 86 0.732E+00 -0.667E+00 -0.682E-02 GLN 653 N 641 GLN 551 CD 52 0.431E+00 -0.108E+01 -0.130E+00 GLN 653 N 641 GLN 551 OE1 53 0.458E+00 0.875E+00 -0.107E+00 GLN 653 N 641 GLN 551 NE2 54 0.371E+00 0.212E+01 -0.274E+00 GLN 653 CA 642 GLN 551 NE2 54 0.377E+00 -0.194E+00 -0.221E+00 GLN 653 C 643 GLN 551 OE1 53 0.669E+00 -0.405E+00 -0.994E-02 GLN 653 C 643 GLN 551 NE2 54 0.527E+00 -0.953E+00 -0.464E-01 GLN 653 O 644 GLY 547 C 14 0.839E+00 -0.333E+00 -0.259E-02 GLN 653 O 644 GLN 551 CD 52 0.666E+00 -0.588E+00 -0.103E-01 GLN 653 CB 645 GLN 551 NE2 54 0.364E+00 0.184E+00 -0.216E+00 GLN 653 CG 646 GLN 551 NE2 54 0.421E+00 0.787E-01 -0.163E+00 GLN 653 CD 647 GLY 547 O 15 0.825E+00 -0.355E+00 -0.284E-02 GLN 653 CD 647 ILE 548 O 20 0.908E+00 -0.369E+00 -0.160E-02 GLN 653 CD 647 GLN 551 O 49 0.851E+00 -0.374E+00 -0.237E-02 GLN 653 CD 647 GLN 551 OE1 53 0.589E+00 -0.841E+00 -0.210E-01 GLN 653 CD 647 GLN 551 NE2 54 0.375E+00 -0.356E+01 -0.196E+00 GLN 653 CD 647 ASN 554 ND2 88 0.975E+00 -0.417E+00 -0.124E-02 GLN 653 OE1 648 GLY 547 C 14 0.784E+00 -0.416E+00 -0.386E-02 GLN 653 OE1 648 ILE 548 C 19 0.832E+00 -0.368E+00 -0.271E-02 GLN 653 OE1 648 GLN 551 C 48 0.717E+00 -0.354E+00 -0.659E-02 GLN 653 OE1 648 GLN 551 CG 51 0.398E+00 0.648E-01 -0.190E+00 GLN 653 OE1 648 GLN 551 CD 52 0.377E+00 -0.250E+01 -0.201E+00 GLN 653 OE1 648 GLN 552 CD 64 0.990E+00 -0.327E+00 -0.957E-03 GLN 653 OE1 648 ASN 554 C 83 0.979E+00 -0.307E+00 -0.102E-02 GLN 653 OE1 648 ASN 554 CG 86 0.940E+00 -0.310E+00 -0.131E-02 GLN 653 NE2 649 GLY 547 C 14 0.940E+00 -0.433E+00 -0.154E-02 GLN 653 NE2 649 ILE 548 C 19 0.975E+00 -0.401E+00 -0.123E-02 GLN 653 NE2 649 GLN 551 C 48 0.902E+00 -0.334E+00 -0.197E-02 GLN 653 NE2 649 GLN 551 CD 52 0.578E+00 -0.124E+01 -0.275E-01 GLN 653 NE2 649 GLN 551 NE2 54 0.474E+00 0.258E+01 -0.102E+00 GLU 654 N 653 GLN 551 CD 52 0.696E+00 -0.402E+00 -0.920E-02 GLU 654 C 655 GLN 551 NE2 54 0.809E+00 -0.448E+00 -0.375E-02 GLU 654 O 656 GLN 551 CD 52 0.956E+00 -0.326E+00 -0.118E-02 GLU 654 CD 659 GLN 551 NE2 54 0.943E+00 -0.567E+00 -0.150E-02 GLU 654 OE1 660 GLN 551 CD 52 0.976E+00 -0.438E+00 -0.104E-02 LYS 655 C 665 SER 546 O 7 0.986E+00 -0.331E+00 -0.982E-03 LYS 655 C 665 SER 546 OG 9 0.929E+00 -0.399E+00 -0.155E-02 LYS 655 C 665 GLY 547 O 15 0.753E+00 -0.453E+00 -0.492E-02 LYS 655 C 665 ILE 548 N 17 0.804E+00 -0.357E+00 -0.391E-02 LYS 655 C 665 GLN 551 OE1 53 0.920E+00 -0.397E+00 -0.148E-02 LYS 655 C 665 GLN 551 NE2 54 0.855E+00 -0.629E+00 -0.270E-02 LYS 655 O 666 GLY 547 C 14 0.780E+00 -0.377E+00 -0.399E-02 LYS 655 HZ1 673 GLN 550 NE2 42 0.727E+00 -0.342E+00 -0.231E-03 ASN 656 N 676 GLY 547 C 14 0.651E+00 -0.406E+00 -0.136E-01 ASN 656 N 676 GLN 551 CD 52 0.764E+00 -0.344E+00 -0.530E-02 ASN 656 C 678 SER 546 OG 9 0.960E+00 -0.323E+00 -0.127E-02 ASN 656 C 678 GLY 547 O 15 0.744E+00 -0.395E+00 -0.531E-02 ASN 656 C 678 ILE 548 N 17 0.729E+00 -0.363E+00 -0.700E-02 ASN 656 C 678 ILE 548 O 20 0.979E+00 -0.303E+00 -0.102E-02 ASN 656 C 678 GLN 551 OE1 53 0.934E+00 -0.330E+00 -0.136E-02 ASN 656 C 678 GLN 551 NE2 54 0.825E+00 -0.569E+00 -0.336E-02 ASN 656 O 679 GLY 547 C 14 0.745E+00 -0.381E+00 -0.523E-02 ASN 656 CG 681 SER 546 N 4 0.749E+00 -0.392E+00 -0.598E-02 ASN 656 CG 681 SER 546 O 7 0.665E+00 -0.530E+00 -0.104E-01 ASN 656 CG 681 SER 546 OG 9 0.745E+00 -0.468E+00 -0.577E-02 ASN 656 CG 681 GLY 547 N 12 0.518E+00 -0.586E+00 -0.512E-01 ASN 656 CG 681 GLY 547 CA 13 0.397E+00 -0.390E+00 -0.150E+00 ASN 656 CG 681 GLY 547 C 14 0.368E+00 0.214E+01 -0.132E+00 ASN 656 CG 681 GLY 547 O 15 0.369E+00 -0.186E+01 -0.211E+00 ASN 656 CG 681 ILE 548 N 17 0.417E+00 -0.120E+01 -0.150E+00 ASN 656 CG 681 ILE 548 O 20 0.645E+00 -0.600E+00 -0.123E-01 ASN 656 CG 681 VAL 549 N 26 0.686E+00 -0.386E+00 -0.101E-01 ASN 656 CG 681 GLN 550 N 34 0.720E+00 -0.302E+00 -0.755E-02 ASN 656 CG 681 GLN 550 O 37 0.797E+00 -0.366E+00 -0.351E-02 ASN 656 CG 681 GLN 550 OE1 41 0.950E+00 -0.304E+00 -0.122E-02 ASN 656 CG 681 GLN 550 NE2 42 0.832E+00 -0.531E+00 -0.320E-02 ASN 656 CG 681 GLN 551 N 46 0.593E+00 -0.448E+00 -0.237E-01 ASN 656 CG 681 GLN 551 O 49 0.818E+00 -0.350E+00 -0.300E-02 ASN 656 CG 681 GLN 551 OE1 53 0.634E+00 -0.631E+00 -0.137E-01 ASN 656 CG 681 GLN 551 NE2 54 0.596E+00 -0.101E+01 -0.231E-01 ASN 656 CG 681 GLN 552 NE2 66 0.104E+01 -0.375E+00 -0.838E-03 ASN 656 CG 681 ASN 554 ND2 88 0.783E+00 -0.522E+00 -0.457E-02 ASN 656 OD1 682 SER 546 C 6 0.544E+00 -0.609E+00 -0.334E-01 ASN 656 OD1 682 SER 546 HG 11 0.637E+00 -0.400E+00 0.000E+00 ASN 656 OD1 682 GLY 547 N 12 0.421E+00 0.878E+00 -0.166E+00 ASN 656 OD1 682 GLY 547 C 14 0.320E+00 -0.286E+01 -0.243E-01 ASN 656 OD1 682 GLY 547 O 15 0.347E+00 0.200E+01 -0.324E+00 ASN 656 OD1 682 ILE 548 N 17 0.383E+00 0.135E+01 -0.249E+00 ASN 656 OD1 682 ILE 548 C 19 0.598E+00 -0.582E+00 -0.192E-01 ASN 656 OD1 682 GLN 550 C 36 0.688E+00 -0.322E+00 -0.844E-02 ASN 656 OD1 682 GLN 550 CD 40 0.790E+00 -0.396E+00 -0.369E-02 ASN 656 OD1 682 GLN 551 CD 52 0.662E+00 -0.554E+00 -0.106E-01 ASN 656 ND2 683 SER 546 C 6 0.653E+00 -0.612E+00 -0.135E-01 ASN 656 ND2 683 SER 546 HG 11 0.820E+00 -0.368E+00 0.000E+00 ASN 656 ND2 683 GLY 547 CA 13 0.421E+00 0.450E+00 -0.163E+00 ASN 656 ND2 683 GLY 547 C 14 0.357E+00 -0.313E+01 -0.178E+00 ASN 656 ND2 683 GLY 547 O 15 0.315E+00 0.386E+01 -0.100E+00 ASN 656 ND2 683 ILE 548 N 17 0.418E+00 0.160E+01 -0.190E+00 ASN 656 ND2 683 ILE 548 CA 18 0.458E+00 0.288E+00 -0.111E+00 ASN 656 ND2 683 ILE 548 C 19 0.557E+00 -0.101E+01 -0.340E-01 ASN 656 ND2 683 VAL 549 C 28 0.737E+00 -0.447E+00 -0.658E-02 ASN 656 ND2 683 GLN 550 C 36 0.607E+00 -0.616E+00 -0.205E-01 ASN 656 ND2 683 GLN 550 CD 40 0.782E+00 -0.600E+00 -0.463E-02 ASN 656 ND2 683 GLN 551 C 48 0.613E+00 -0.603E+00 -0.194E-01 ASN 656 ND2 683 GLN 551 CB 50 0.365E+00 0.163E+00 -0.216E+00 ASN 656 ND2 683 GLN 551 CG 51 0.404E+00 0.774E-01 -0.190E+00 ASN 656 ND2 683 GLN 551 CD 52 0.446E+00 -0.201E+01 -0.111E+00 ASN 656 ND2 683 GLN 552 CD 64 0.920E+00 -0.456E+00 -0.174E-02 ASN 656 ND2 683 ASN 553 C 72 0.101E+01 -0.366E+00 -0.100E-02 ASN 656 ND2 683 ASN 554 C 83 0.988E+00 -0.378E+00 -0.114E-02 ASN 656 ND2 683 ASN 554 CG 86 0.790E+00 -0.515E+00 -0.435E-02 GLU 657 C 689 GLN 551 NE2 54 0.104E+01 -0.301E+00 -0.830E-03 GLU 657 CD 693 GLN 551 OE1 53 0.101E+01 -0.363E+00 -0.843E-03 GLU 657 CD 693 GLN 551 NE2 54 0.817E+00 -0.718E+00 -0.356E-02 GLU 657 OE1 694 GLN 551 CD 52 0.102E+01 -0.411E+00 -0.801E-03 GLU 657 OE2 695 GLN 551 CD 52 0.871E+00 -0.525E+00 -0.206E-02 GLU 659 CD 715 SER 546 N 4 0.632E+00 -0.716E+00 -0.163E-01 GLU 659 CD 715 SER 546 O 7 0.802E+00 -0.488E+00 -0.339E-02 GLU 659 CD 715 SER 546 OG 9 0.548E+00 -0.115E+01 -0.354E-01 GLU 659 CD 715 GLY 547 N 12 0.579E+00 -0.596E+00 -0.271E-01 GLU 659 CD 715 GLY 547 O 15 0.808E+00 -0.421E+00 -0.322E-02 GLU 659 CD 715 ILE 548 N 17 0.720E+00 -0.461E+00 -0.757E-02 GLU 659 OE1 716 SER 546 C 6 0.609E+00 -0.743E+00 -0.173E-01 GLU 659 OE1 716 SER 546 HG 11 0.448E+00 -0.140E+01 0.000E+00 GLU 659 OE1 716 GLY 547 C 14 0.605E+00 -0.907E+00 -0.180E-01 GLU 659 OE1 716 ILE 548 C 19 0.873E+00 -0.446E+00 -0.204E-02 GLU 659 OE1 716 GLN 550 CD 40 0.103E+01 -0.406E+00 -0.757E-03 GLU 659 OE2 717 SER 546 C 6 0.678E+00 -0.598E+00 -0.920E-02 GLU 659 OE2 717 SER 546 HG 11 0.423E+00 -0.162E+01 0.000E+00 GLU 659 OE2 717 GLY 547 C 14 0.753E+00 -0.588E+00 -0.492E-02 GLU 659 OE2 717 ILE 548 C 19 0.988E+00 -0.367E+00 -0.967E-03