Mercurial > repos > chemteam > gmx_sim
comparison test-data/complex.top @ 9:6398e0b14e0e draft default tip
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 7a25958195ccc8f448dd64ddcc36e8f5e5979d8b"
| author | chemteam |
|---|---|
| date | Wed, 20 May 2020 16:51:50 +0000 |
| parents | 61ecdc006c05 |
| children |
comparison
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| 8:5bc9383b1955 | 9:6398e0b14e0e |
|---|---|
| 1 ; | 1 ; |
| 2 ; File 'topol.top' was generated | 2 ; File 'topol.top' was generated |
| 3 ; By user: unknown (1000) | 3 ; By user: unknown (1000) |
| 4 ; On host: simon-notebook | 4 ; On host: simon-notebook |
| 5 ; At date: Wed Aug 28 14:35:18 2019 | 5 ; At date: Tue May 12 12:59:21 2020 |
| 6 ; | 6 ; |
| 7 ; This is a standalone topology file | 7 ; This is a standalone topology file |
| 8 ; | 8 ; |
| 9 ; Created by: | 9 ; Created by: |
| 10 ; :-) GROMACS - gmx pdb2gmx, 2019.1 (-: | 10 ; :-) GROMACS - gmx pdb2gmx, 2019.1 (-: |
| 11 ; | 11 ; |
| 12 ; Executable: /home/simon/miniconda3/envs/gmx/bin/gmx | 12 ; Executable: /home/simon/miniconda3/envs/__gromacs@2019.1/bin/gmx |
| 13 ; Data prefix: /home/simon/miniconda3/envs/gmx | 13 ; Data prefix: /home/simon/miniconda3/envs/__gromacs@2019.1 |
| 14 ; Working dir: /home/simon/Repos/galaxy-tools-compchem/tools/gromacs | 14 ; Working dir: /tmp/tmpg0ncnt9q/job_working_directory/000/10/working |
| 15 ; Command line: | 15 ; Command line: |
| 16 ; gmx pdb2gmx -f test-data/1AKI.pdb -o processed.gro -p topol.top -i posres.itp -water spce -ff oplsaa -noignh | 16 ; gmx pdb2gmx -f ./pdb_input.pdb -o processed.gro -p topol.top -i posres.itp -water spce -ff oplsaa -noignh -merge all |
| 17 ; Force field was read from the standard GROMACS share directory. | 17 ; Force field was read from the standard GROMACS share directory. |
| 18 ; | 18 ; |
| 19 | 19 |
| 20 ; Include forcefield parameters | 20 ; Include forcefield parameters |
| 21 #include "oplsaa.ff/forcefield.itp" | 21 #include "oplsaa.ff/forcefield.itp" |
| 34 F F 0.00000 0.00000 A 3.11815e-01 2.55224e-01 ; 1.75 0.0610 | 34 F F 0.00000 0.00000 A 3.11815e-01 2.55224e-01 ; 1.75 0.0610 |
| 35 O O 0.00000 0.00000 A 2.95992e-01 8.78640e-01 ; 1.66 0.2100 | 35 O O 0.00000 0.00000 A 2.95992e-01 8.78640e-01 ; 1.66 0.2100 |
| 36 | 36 |
| 37 [ moleculetype ] | 37 [ moleculetype ] |
| 38 ; Name nrexcl | 38 ; Name nrexcl |
| 39 Protein_chain_A 3 | 39 Protein 3 |
| 40 | 40 |
| 41 [ atoms ] | 41 [ atoms ] |
| 42 ; nr type resnr residue atom cgnr charge mass typeB chargeB massB | 42 ; nr type resnr residue atom cgnr charge mass typeB chargeB massB |
| 43 ; residue 1 LYS rtp LYSH q +2.0 | 43 ; residue 1 LYS rtp LYSH q +2.0 |
| 44 1 opls_287 1 LYS N 1 -0.3 14.0027 | 44 1 opls_287 1 LYS N 1 -0.3 14.0027 |
| 109 63 opls_223B 4 GLY CA 21 0.08 12.011 | 109 63 opls_223B 4 GLY CA 21 0.08 12.011 |
| 110 64 opls_140 4 GLY HA1 21 0.06 1.008 | 110 64 opls_140 4 GLY HA1 21 0.06 1.008 |
| 111 65 opls_140 4 GLY HA2 21 0.06 1.008 | 111 65 opls_140 4 GLY HA2 21 0.06 1.008 |
| 112 66 opls_235 4 GLY C 22 0.5 12.011 | 112 66 opls_235 4 GLY C 22 0.5 12.011 |
| 113 67 opls_236 4 GLY O 22 -0.5 15.9994 ; qtot 2 | 113 67 opls_236 4 GLY O 22 -0.5 15.9994 ; qtot 2 |
| 114 ; residue 5 ARG rtp ARG q +1.0 | 114 ; residue 5 ARG rtp ARG q 0.0 |
| 115 68 opls_238 5 ARG N 23 -0.5 14.0067 | 115 68 opls_238 5 ARG N 23 -0.5 14.0067 |
| 116 69 opls_241 5 ARG H 23 0.3 1.008 | 116 69 opls_241 5 ARG H 23 0.3 1.008 |
| 117 70 opls_224B 5 ARG CA 23 0.14 12.011 | 117 70 opls_283 5 ARG CA 23 0.04 12.011 |
| 118 71 opls_140 5 ARG HA 23 0.06 1.008 | 118 71 opls_140 5 ARG HA 23 0.06 1.008 |
| 119 72 opls_136 5 ARG CB 24 -0.12 12.011 | 119 72 opls_136 5 ARG CB 24 -0.12 12.011 |
| 120 73 opls_140 5 ARG HB1 24 0.06 1.008 | 120 73 opls_140 5 ARG HB1 24 0.06 1.008 |
| 121 74 opls_140 5 ARG HB2 24 0.06 1.008 | 121 74 opls_140 5 ARG HB2 24 0.06 1.008 |
| 122 75 opls_308 5 ARG CG 25 -0.05 12.011 | 122 75 opls_308 5 ARG CG 25 -0.05 12.011 |
| 132 85 opls_301 5 ARG HH11 28 0.46 1.008 | 132 85 opls_301 5 ARG HH11 28 0.46 1.008 |
| 133 86 opls_301 5 ARG HH12 28 0.46 1.008 | 133 86 opls_301 5 ARG HH12 28 0.46 1.008 |
| 134 87 opls_300 5 ARG NH2 29 -0.8 14.0067 | 134 87 opls_300 5 ARG NH2 29 -0.8 14.0067 |
| 135 88 opls_301 5 ARG HH21 29 0.46 1.008 | 135 88 opls_301 5 ARG HH21 29 0.46 1.008 |
| 136 89 opls_301 5 ARG HH22 29 0.46 1.008 | 136 89 opls_301 5 ARG HH22 29 0.46 1.008 |
| 137 90 opls_235 5 ARG C 30 0.5 12.011 | 137 90 opls_271 5 ARG C 30 0.7 12.011 |
| 138 91 opls_236 5 ARG O 30 -0.5 15.9994 ; qtot 3 | 138 91 opls_272 5 ARG O1 30 -0.8 15.9994 |
| 139 ; residue 6 CYS rtp CYS2 q 0.0 | 139 92 opls_272 5 ARG O2 30 -0.8 15.9994 ; qtot 2 |
| 140 92 opls_238 6 CYS N 31 -0.5 14.0067 | |
| 141 93 opls_241 6 CYS H 31 0.3 1.008 | |
| 142 94 opls_224B 6 CYS CA 31 0.14 12.011 | |
| 143 95 opls_140 6 CYS HA 31 0.06 1.008 | |
| 144 96 opls_214 6 CYS CB 32 0.0975 12.011 | |
| 145 97 opls_140 6 CYS HB1 32 0.06 1.008 | |
| 146 98 opls_140 6 CYS HB2 32 0.06 1.008 | |
| 147 99 opls_203 6 CYS SG 32 -0.2175 32.06 | |
| 148 100 opls_235 6 CYS C 33 0.5 12.011 | |
| 149 101 opls_236 6 CYS O 33 -0.5 15.9994 ; qtot 3 | |
| 150 ; residue 7 GLU rtp GLU q -1.0 | |
| 151 102 opls_238 7 GLU N 34 -0.5 14.0067 | |
| 152 103 opls_241 7 GLU H 34 0.3 1.008 | |
| 153 104 opls_224B 7 GLU CA 34 0.14 12.011 | |
| 154 105 opls_140 7 GLU HA 34 0.06 1.008 | |
| 155 106 opls_136 7 GLU CB 35 -0.12 12.011 | |
| 156 107 opls_140 7 GLU HB1 35 0.06 1.008 | |
| 157 108 opls_140 7 GLU HB2 35 0.06 1.008 | |
| 158 109 opls_274 7 GLU CG 36 -0.22 12.011 | |
| 159 110 opls_140 7 GLU HG1 36 0.06 1.008 | |
| 160 111 opls_140 7 GLU HG2 36 0.06 1.008 | |
| 161 112 opls_271 7 GLU CD 37 0.7 12.011 | |
| 162 113 opls_272 7 GLU OE1 37 -0.8 15.9994 | |
| 163 114 opls_272 7 GLU OE2 37 -0.8 15.9994 | |
| 164 115 opls_235 7 GLU C 38 0.5 12.011 | |
| 165 116 opls_236 7 GLU O 38 -0.5 15.9994 ; qtot 2 | |
| 166 ; residue 8 LEU rtp LEU q 0.0 | |
| 167 117 opls_238 8 LEU N 39 -0.5 14.0067 | |
| 168 118 opls_241 8 LEU H 39 0.3 1.008 | |
| 169 119 opls_224B 8 LEU CA 39 0.14 12.011 | |
| 170 120 opls_140 8 LEU HA 39 0.06 1.008 | |
| 171 121 opls_136 8 LEU CB 40 -0.12 12.011 | |
| 172 122 opls_140 8 LEU HB1 40 0.06 1.008 | |
| 173 123 opls_140 8 LEU HB2 40 0.06 1.008 | |
| 174 124 opls_137 8 LEU CG 41 -0.06 12.011 | |
| 175 125 opls_140 8 LEU HG 41 0.06 1.008 | |
| 176 126 opls_135 8 LEU CD1 42 -0.18 12.011 | |
| 177 127 opls_140 8 LEU HD11 42 0.06 1.008 | |
| 178 128 opls_140 8 LEU HD12 42 0.06 1.008 | |
| 179 129 opls_140 8 LEU HD13 42 0.06 1.008 | |
| 180 130 opls_135 8 LEU CD2 43 -0.18 12.011 | |
| 181 131 opls_140 8 LEU HD21 43 0.06 1.008 | |
| 182 132 opls_140 8 LEU HD22 43 0.06 1.008 | |
| 183 133 opls_140 8 LEU HD23 43 0.06 1.008 | |
| 184 134 opls_235 8 LEU C 44 0.5 12.011 | |
| 185 135 opls_236 8 LEU O 44 -0.5 15.9994 ; qtot 2 | |
| 186 ; residue 9 ALA rtp ALA q 0.0 | |
| 187 136 opls_238 9 ALA N 45 -0.5 14.0067 | |
| 188 137 opls_241 9 ALA H 45 0.3 1.008 | |
| 189 138 opls_224B 9 ALA CA 45 0.14 12.011 | |
| 190 139 opls_140 9 ALA HA 45 0.06 1.008 | |
| 191 140 opls_135 9 ALA CB 46 -0.18 12.011 | |
| 192 141 opls_140 9 ALA HB1 46 0.06 1.008 | |
| 193 142 opls_140 9 ALA HB2 46 0.06 1.008 | |
| 194 143 opls_140 9 ALA HB3 46 0.06 1.008 | |
| 195 144 opls_235 9 ALA C 47 0.5 12.011 | |
| 196 145 opls_236 9 ALA O 47 -0.5 15.9994 ; qtot 2 | |
| 197 ; residue 10 ALA rtp ALA q 0.0 | |
| 198 146 opls_238 10 ALA N 48 -0.5 14.0067 | |
| 199 147 opls_241 10 ALA H 48 0.3 1.008 | |
| 200 148 opls_224B 10 ALA CA 48 0.14 12.011 | |
| 201 149 opls_140 10 ALA HA 48 0.06 1.008 | |
| 202 150 opls_135 10 ALA CB 49 -0.18 12.011 | |
| 203 151 opls_140 10 ALA HB1 49 0.06 1.008 | |
| 204 152 opls_140 10 ALA HB2 49 0.06 1.008 | |
| 205 153 opls_140 10 ALA HB3 49 0.06 1.008 | |
| 206 154 opls_235 10 ALA C 50 0.5 12.011 | |
| 207 155 opls_236 10 ALA O 50 -0.5 15.9994 ; qtot 2 | |
| 208 ; residue 11 ALA rtp ALA q 0.0 | |
| 209 156 opls_238 11 ALA N 51 -0.5 14.0067 | |
| 210 157 opls_241 11 ALA H 51 0.3 1.008 | |
| 211 158 opls_224B 11 ALA CA 51 0.14 12.011 | |
| 212 159 opls_140 11 ALA HA 51 0.06 1.008 | |
| 213 160 opls_135 11 ALA CB 52 -0.18 12.011 | |
| 214 161 opls_140 11 ALA HB1 52 0.06 1.008 | |
| 215 162 opls_140 11 ALA HB2 52 0.06 1.008 | |
| 216 163 opls_140 11 ALA HB3 52 0.06 1.008 | |
| 217 164 opls_235 11 ALA C 53 0.5 12.011 | |
| 218 165 opls_236 11 ALA O 53 -0.5 15.9994 ; qtot 2 | |
| 219 ; residue 12 MET rtp MET q 0.0 | |
| 220 166 opls_238 12 MET N 54 -0.5 14.0067 | |
| 221 167 opls_241 12 MET H 54 0.3 1.008 | |
| 222 168 opls_224B 12 MET CA 54 0.14 12.011 | |
| 223 169 opls_140 12 MET HA 54 0.06 1.008 | |
| 224 170 opls_136 12 MET CB 55 -0.12 12.011 | |
| 225 171 opls_140 12 MET HB1 55 0.06 1.008 | |
| 226 172 opls_140 12 MET HB2 55 0.06 1.008 | |
| 227 173 opls_210 12 MET CG 56 0.048 12.011 | |
| 228 174 opls_140 12 MET HG1 56 0.06 1.008 | |
| 229 175 opls_140 12 MET HG2 56 0.06 1.008 | |
| 230 176 opls_202 12 MET SD 57 -0.335 32.06 | |
| 231 177 opls_209 12 MET CE 58 -0.013 12.011 | |
| 232 178 opls_140 12 MET HE1 58 0.06 1.008 | |
| 233 179 opls_140 12 MET HE2 58 0.06 1.008 | |
| 234 180 opls_140 12 MET HE3 58 0.06 1.008 | |
| 235 181 opls_235 12 MET C 59 0.5 12.011 | |
| 236 182 opls_236 12 MET O 59 -0.5 15.9994 ; qtot 2 | |
| 237 ; residue 13 LYS rtp LYSH q +1.0 | |
| 238 183 opls_238 13 LYS N 60 -0.5 14.0067 | |
| 239 184 opls_241 13 LYS H 60 0.3 1.008 | |
| 240 185 opls_224B 13 LYS CA 60 0.14 12.011 | |
| 241 186 opls_140 13 LYS HA 60 0.06 1.008 | |
| 242 187 opls_136 13 LYS CB 61 -0.12 12.011 | |
| 243 188 opls_140 13 LYS HB1 61 0.06 1.008 | |
| 244 189 opls_140 13 LYS HB2 61 0.06 1.008 | |
| 245 190 opls_136 13 LYS CG 62 -0.12 12.011 | |
| 246 191 opls_140 13 LYS HG1 62 0.06 1.008 | |
| 247 192 opls_140 13 LYS HG2 62 0.06 1.008 | |
| 248 193 opls_136 13 LYS CD 63 -0.12 12.011 | |
| 249 194 opls_140 13 LYS HD1 63 0.06 1.008 | |
| 250 195 opls_140 13 LYS HD2 63 0.06 1.008 | |
| 251 196 opls_292 13 LYS CE 64 0.19 12.011 | |
| 252 197 opls_140 13 LYS HE1 64 0.06 1.008 | |
| 253 198 opls_140 13 LYS HE2 64 0.06 1.008 | |
| 254 199 opls_287 13 LYS NZ 65 -0.3 14.0067 | |
| 255 200 opls_290 13 LYS HZ1 65 0.33 1.008 | |
| 256 201 opls_290 13 LYS HZ2 65 0.33 1.008 | |
| 257 202 opls_290 13 LYS HZ3 65 0.33 1.008 | |
| 258 203 opls_235 13 LYS C 66 0.5 12.011 | |
| 259 204 opls_236 13 LYS O 66 -0.5 15.9994 ; qtot 3 | |
| 260 ; residue 14 ARG rtp ARG q +1.0 | |
| 261 205 opls_238 14 ARG N 67 -0.5 14.0067 | |
| 262 206 opls_241 14 ARG H 67 0.3 1.008 | |
| 263 207 opls_224B 14 ARG CA 67 0.14 12.011 | |
| 264 208 opls_140 14 ARG HA 67 0.06 1.008 | |
| 265 209 opls_136 14 ARG CB 68 -0.12 12.011 | |
| 266 210 opls_140 14 ARG HB1 68 0.06 1.008 | |
| 267 211 opls_140 14 ARG HB2 68 0.06 1.008 | |
| 268 212 opls_308 14 ARG CG 69 -0.05 12.011 | |
| 269 213 opls_140 14 ARG HG1 69 0.06 1.008 | |
| 270 214 opls_140 14 ARG HG2 69 0.06 1.008 | |
| 271 215 opls_307 14 ARG CD 70 0.19 12.011 | |
| 272 216 opls_140 14 ARG HD1 70 0.06 1.008 | |
| 273 217 opls_140 14 ARG HD2 70 0.06 1.008 | |
| 274 218 opls_303 14 ARG NE 71 -0.7 14.0067 | |
| 275 219 opls_304 14 ARG HE 71 0.44 1.008 | |
| 276 220 opls_302 14 ARG CZ 71 0.64 12.011 | |
| 277 221 opls_300 14 ARG NH1 72 -0.8 14.0067 | |
| 278 222 opls_301 14 ARG HH11 72 0.46 1.008 | |
| 279 223 opls_301 14 ARG HH12 72 0.46 1.008 | |
| 280 224 opls_300 14 ARG NH2 73 -0.8 14.0067 | |
| 281 225 opls_301 14 ARG HH21 73 0.46 1.008 | |
| 282 226 opls_301 14 ARG HH22 73 0.46 1.008 | |
| 283 227 opls_235 14 ARG C 74 0.5 12.011 | |
| 284 228 opls_236 14 ARG O 74 -0.5 15.9994 ; qtot 4 | |
| 285 ; residue 15 HIS rtp HISE q 0.0 | |
| 286 229 opls_238 15 HIS N 75 -0.5 14.0067 | |
| 287 230 opls_241 15 HIS H 75 0.3 1.008 | |
| 288 231 opls_224B 15 HIS CA 75 0.14 12.011 | |
| 289 232 opls_140 15 HIS HA 75 0.06 1.008 | |
| 290 233 opls_505 15 HIS CB 76 -0.005 12.011 | |
| 291 234 opls_140 15 HIS HB1 76 0.06 1.008 | |
| 292 235 opls_140 15 HIS HB2 76 0.06 1.008 | |
| 293 236 opls_507 15 HIS CG 77 -0.015 12.011 | |
| 294 237 opls_511 15 HIS ND1 77 -0.49 14.0067 | |
| 295 238 opls_508 15 HIS CD2 78 0.015 12.011 | |
| 296 239 opls_146 15 HIS HD2 78 0.115 1.008 | |
| 297 240 opls_506 15 HIS CE1 79 0.295 12.011 | |
| 298 241 opls_146 15 HIS HE1 79 0.115 1.008 | |
| 299 242 opls_503 15 HIS NE2 80 -0.57 14.0067 | |
| 300 243 opls_504 15 HIS HE2 80 0.42 1.008 | |
| 301 244 opls_235 15 HIS C 81 0.5 12.011 | |
| 302 245 opls_236 15 HIS O 81 -0.5 15.9994 ; qtot 4 | |
| 303 ; residue 16 GLY rtp GLY q 0.0 | |
| 304 246 opls_238 16 GLY N 82 -0.5 14.0067 | |
| 305 247 opls_241 16 GLY H 82 0.3 1.008 | |
| 306 248 opls_223B 16 GLY CA 82 0.08 12.011 | |
| 307 249 opls_140 16 GLY HA1 82 0.06 1.008 | |
| 308 250 opls_140 16 GLY HA2 82 0.06 1.008 | |
| 309 251 opls_235 16 GLY C 83 0.5 12.011 | |
| 310 252 opls_236 16 GLY O 83 -0.5 15.9994 ; qtot 4 | |
| 311 ; residue 17 LEU rtp LEU q 0.0 | |
| 312 253 opls_238 17 LEU N 84 -0.5 14.0067 | |
| 313 254 opls_241 17 LEU H 84 0.3 1.008 | |
| 314 255 opls_224B 17 LEU CA 84 0.14 12.011 | |
| 315 256 opls_140 17 LEU HA 84 0.06 1.008 | |
| 316 257 opls_136 17 LEU CB 85 -0.12 12.011 | |
| 317 258 opls_140 17 LEU HB1 85 0.06 1.008 | |
| 318 259 opls_140 17 LEU HB2 85 0.06 1.008 | |
| 319 260 opls_137 17 LEU CG 86 -0.06 12.011 | |
| 320 261 opls_140 17 LEU HG 86 0.06 1.008 | |
| 321 262 opls_135 17 LEU CD1 87 -0.18 12.011 | |
| 322 263 opls_140 17 LEU HD11 87 0.06 1.008 | |
| 323 264 opls_140 17 LEU HD12 87 0.06 1.008 | |
| 324 265 opls_140 17 LEU HD13 87 0.06 1.008 | |
| 325 266 opls_135 17 LEU CD2 88 -0.18 12.011 | |
| 326 267 opls_140 17 LEU HD21 88 0.06 1.008 | |
| 327 268 opls_140 17 LEU HD22 88 0.06 1.008 | |
| 328 269 opls_140 17 LEU HD23 88 0.06 1.008 | |
| 329 270 opls_235 17 LEU C 89 0.5 12.011 | |
| 330 271 opls_236 17 LEU O 89 -0.5 15.9994 ; qtot 4 | |
| 331 ; residue 18 ASP rtp ASP q -1.0 | |
| 332 272 opls_238 18 ASP N 90 -0.5 14.0067 | |
| 333 273 opls_241 18 ASP H 90 0.3 1.008 | |
| 334 274 opls_224B 18 ASP CA 90 0.14 12.011 | |
| 335 275 opls_140 18 ASP HA 90 0.06 1.008 | |
| 336 276 opls_274 18 ASP CB 91 -0.22 12.011 | |
| 337 277 opls_140 18 ASP HB1 91 0.06 1.008 | |
| 338 278 opls_140 18 ASP HB2 91 0.06 1.008 | |
| 339 279 opls_271 18 ASP CG 92 0.7 12.011 | |
| 340 280 opls_272 18 ASP OD1 92 -0.8 15.9994 | |
| 341 281 opls_272 18 ASP OD2 92 -0.8 15.9994 | |
| 342 282 opls_235 18 ASP C 93 0.5 12.011 | |
| 343 283 opls_236 18 ASP O 93 -0.5 15.9994 ; qtot 3 | |
| 344 ; residue 19 ASN rtp ASN q 0.0 | |
| 345 284 opls_238 19 ASN N 94 -0.5 14.0067 | |
| 346 285 opls_241 19 ASN H 94 0.3 1.008 | |
| 347 286 opls_224B 19 ASN CA 95 0.14 12.011 | |
| 348 287 opls_140 19 ASN HA 95 0.06 1.008 | |
| 349 288 opls_136 19 ASN CB 96 -0.12 12.011 | |
| 350 289 opls_140 19 ASN HB1 96 0.06 1.008 | |
| 351 290 opls_140 19 ASN HB2 96 0.06 1.008 | |
| 352 291 opls_235 19 ASN CG 97 0.5 12.011 | |
| 353 292 opls_236 19 ASN OD1 97 -0.5 15.9994 | |
| 354 293 opls_237 19 ASN ND2 98 -0.76 14.0067 | |
| 355 294 opls_240 19 ASN HD21 98 0.38 1.008 | |
| 356 295 opls_240 19 ASN HD22 98 0.38 1.008 | |
| 357 296 opls_235 19 ASN C 99 0.5 12.011 | |
| 358 297 opls_236 19 ASN O 99 -0.5 15.9994 ; qtot 3 | |
| 359 ; residue 20 TYR rtp TYR q 0.0 | |
| 360 298 opls_238 20 TYR N 100 -0.5 14.0067 | |
| 361 299 opls_241 20 TYR H 100 0.3 1.008 | |
| 362 300 opls_224B 20 TYR CA 100 0.14 12.011 | |
| 363 301 opls_140 20 TYR HA 100 0.06 1.008 | |
| 364 302 opls_149 20 TYR CB 101 -0.005 12.011 | |
| 365 303 opls_140 20 TYR HB1 101 0.06 1.008 | |
| 366 304 opls_140 20 TYR HB2 101 0.06 1.008 | |
| 367 305 opls_145 20 TYR CG 101 -0.115 12.011 | |
| 368 306 opls_145 20 TYR CD1 102 -0.115 12.011 | |
| 369 307 opls_146 20 TYR HD1 102 0.115 1.008 | |
| 370 308 opls_145 20 TYR CD2 103 -0.115 12.011 | |
| 371 309 opls_146 20 TYR HD2 103 0.115 1.008 | |
| 372 310 opls_145 20 TYR CE1 104 -0.115 12.011 | |
| 373 311 opls_146 20 TYR HE1 104 0.115 1.008 | |
| 374 312 opls_145 20 TYR CE2 105 -0.115 12.011 | |
| 375 313 opls_146 20 TYR HE2 105 0.115 1.008 | |
| 376 314 opls_166 20 TYR CZ 106 0.15 12.011 | |
| 377 315 opls_167 20 TYR OH 106 -0.585 15.9994 | |
| 378 316 opls_168 20 TYR HH 106 0.435 1.008 | |
| 379 317 opls_235 20 TYR C 107 0.5 12.011 | |
| 380 318 opls_236 20 TYR O 107 -0.5 15.9994 ; qtot 3 | |
| 381 ; residue 21 ARG rtp ARG q +1.0 | |
| 382 319 opls_238 21 ARG N 108 -0.5 14.0067 | |
| 383 320 opls_241 21 ARG H 108 0.3 1.008 | |
| 384 321 opls_224B 21 ARG CA 108 0.14 12.011 | |
| 385 322 opls_140 21 ARG HA 108 0.06 1.008 | |
| 386 323 opls_136 21 ARG CB 109 -0.12 12.011 | |
| 387 324 opls_140 21 ARG HB1 109 0.06 1.008 | |
| 388 325 opls_140 21 ARG HB2 109 0.06 1.008 | |
| 389 326 opls_308 21 ARG CG 110 -0.05 12.011 | |
| 390 327 opls_140 21 ARG HG1 110 0.06 1.008 | |
| 391 328 opls_140 21 ARG HG2 110 0.06 1.008 | |
| 392 329 opls_307 21 ARG CD 111 0.19 12.011 | |
| 393 330 opls_140 21 ARG HD1 111 0.06 1.008 | |
| 394 331 opls_140 21 ARG HD2 111 0.06 1.008 | |
| 395 332 opls_303 21 ARG NE 112 -0.7 14.0067 | |
| 396 333 opls_304 21 ARG HE 112 0.44 1.008 | |
| 397 334 opls_302 21 ARG CZ 112 0.64 12.011 | |
| 398 335 opls_300 21 ARG NH1 113 -0.8 14.0067 | |
| 399 336 opls_301 21 ARG HH11 113 0.46 1.008 | |
| 400 337 opls_301 21 ARG HH12 113 0.46 1.008 | |
| 401 338 opls_300 21 ARG NH2 114 -0.8 14.0067 | |
| 402 339 opls_301 21 ARG HH21 114 0.46 1.008 | |
| 403 340 opls_301 21 ARG HH22 114 0.46 1.008 | |
| 404 341 opls_235 21 ARG C 115 0.5 12.011 | |
| 405 342 opls_236 21 ARG O 115 -0.5 15.9994 ; qtot 4 | |
| 406 ; residue 22 GLY rtp GLY q 0.0 | |
| 407 343 opls_238 22 GLY N 116 -0.5 14.0067 | |
| 408 344 opls_241 22 GLY H 116 0.3 1.008 | |
| 409 345 opls_223B 22 GLY CA 116 0.08 12.011 | |
| 410 346 opls_140 22 GLY HA1 116 0.06 1.008 | |
| 411 347 opls_140 22 GLY HA2 116 0.06 1.008 | |
| 412 348 opls_235 22 GLY C 117 0.5 12.011 | |
| 413 349 opls_236 22 GLY O 117 -0.5 15.9994 ; qtot 4 | |
| 414 ; residue 23 TYR rtp TYR q 0.0 | |
| 415 350 opls_238 23 TYR N 118 -0.5 14.0067 | |
| 416 351 opls_241 23 TYR H 118 0.3 1.008 | |
| 417 352 opls_224B 23 TYR CA 118 0.14 12.011 | |
| 418 353 opls_140 23 TYR HA 118 0.06 1.008 | |
| 419 354 opls_149 23 TYR CB 119 -0.005 12.011 | |
| 420 355 opls_140 23 TYR HB1 119 0.06 1.008 | |
| 421 356 opls_140 23 TYR HB2 119 0.06 1.008 | |
| 422 357 opls_145 23 TYR CG 119 -0.115 12.011 | |
| 423 358 opls_145 23 TYR CD1 120 -0.115 12.011 | |
| 424 359 opls_146 23 TYR HD1 120 0.115 1.008 | |
| 425 360 opls_145 23 TYR CD2 121 -0.115 12.011 | |
| 426 361 opls_146 23 TYR HD2 121 0.115 1.008 | |
| 427 362 opls_145 23 TYR CE1 122 -0.115 12.011 | |
| 428 363 opls_146 23 TYR HE1 122 0.115 1.008 | |
| 429 364 opls_145 23 TYR CE2 123 -0.115 12.011 | |
| 430 365 opls_146 23 TYR HE2 123 0.115 1.008 | |
| 431 366 opls_166 23 TYR CZ 124 0.15 12.011 | |
| 432 367 opls_167 23 TYR OH 124 -0.585 15.9994 | |
| 433 368 opls_168 23 TYR HH 124 0.435 1.008 | |
| 434 369 opls_235 23 TYR C 125 0.5 12.011 | |
| 435 370 opls_236 23 TYR O 125 -0.5 15.9994 ; qtot 4 | |
| 436 ; residue 24 SER rtp SER q 0.0 | |
| 437 371 opls_238 24 SER N 126 -0.5 14.0067 | |
| 438 372 opls_241 24 SER H 126 0.3 1.008 | |
| 439 373 opls_224B 24 SER CA 126 0.14 12.011 | |
| 440 374 opls_140 24 SER HA 126 0.06 1.008 | |
| 441 375 opls_157 24 SER CB 127 0.145 12.011 | |
| 442 376 opls_140 24 SER HB1 127 0.06 1.008 | |
| 443 377 opls_140 24 SER HB2 127 0.06 1.008 | |
| 444 378 opls_154 24 SER OG 128 -0.683 15.9994 | |
| 445 379 opls_155 24 SER HG 128 0.418 1.008 | |
| 446 380 opls_235 24 SER C 129 0.5 12.011 | |
| 447 381 opls_236 24 SER O 129 -0.5 15.9994 ; qtot 4 | |
| 448 ; residue 25 LEU rtp LEU q 0.0 | |
| 449 382 opls_238 25 LEU N 130 -0.5 14.0067 | |
| 450 383 opls_241 25 LEU H 130 0.3 1.008 | |
| 451 384 opls_224B 25 LEU CA 130 0.14 12.011 | |
| 452 385 opls_140 25 LEU HA 130 0.06 1.008 | |
| 453 386 opls_136 25 LEU CB 131 -0.12 12.011 | |
| 454 387 opls_140 25 LEU HB1 131 0.06 1.008 | |
| 455 388 opls_140 25 LEU HB2 131 0.06 1.008 | |
| 456 389 opls_137 25 LEU CG 132 -0.06 12.011 | |
| 457 390 opls_140 25 LEU HG 132 0.06 1.008 | |
| 458 391 opls_135 25 LEU CD1 133 -0.18 12.011 | |
| 459 392 opls_140 25 LEU HD11 133 0.06 1.008 | |
| 460 393 opls_140 25 LEU HD12 133 0.06 1.008 | |
| 461 394 opls_140 25 LEU HD13 133 0.06 1.008 | |
| 462 395 opls_135 25 LEU CD2 134 -0.18 12.011 | |
| 463 396 opls_140 25 LEU HD21 134 0.06 1.008 | |
| 464 397 opls_140 25 LEU HD22 134 0.06 1.008 | |
| 465 398 opls_140 25 LEU HD23 134 0.06 1.008 | |
| 466 399 opls_235 25 LEU C 135 0.5 12.011 | |
| 467 400 opls_236 25 LEU O 135 -0.5 15.9994 ; qtot 4 | |
| 468 ; residue 26 GLY rtp GLY q 0.0 | |
| 469 401 opls_238 26 GLY N 136 -0.5 14.0067 | |
| 470 402 opls_241 26 GLY H 136 0.3 1.008 | |
| 471 403 opls_223B 26 GLY CA 136 0.08 12.011 | |
| 472 404 opls_140 26 GLY HA1 136 0.06 1.008 | |
| 473 405 opls_140 26 GLY HA2 136 0.06 1.008 | |
| 474 406 opls_235 26 GLY C 137 0.5 12.011 | |
| 475 407 opls_236 26 GLY O 137 -0.5 15.9994 ; qtot 4 | |
| 476 ; residue 27 ASN rtp ASN q 0.0 | |
| 477 408 opls_238 27 ASN N 138 -0.5 14.0067 | |
| 478 409 opls_241 27 ASN H 138 0.3 1.008 | |
| 479 410 opls_224B 27 ASN CA 139 0.14 12.011 | |
| 480 411 opls_140 27 ASN HA 139 0.06 1.008 | |
| 481 412 opls_136 27 ASN CB 140 -0.12 12.011 | |
| 482 413 opls_140 27 ASN HB1 140 0.06 1.008 | |
| 483 414 opls_140 27 ASN HB2 140 0.06 1.008 | |
| 484 415 opls_235 27 ASN CG 141 0.5 12.011 | |
| 485 416 opls_236 27 ASN OD1 141 -0.5 15.9994 | |
| 486 417 opls_237 27 ASN ND2 142 -0.76 14.0067 | |
| 487 418 opls_240 27 ASN HD21 142 0.38 1.008 | |
| 488 419 opls_240 27 ASN HD22 142 0.38 1.008 | |
| 489 420 opls_235 27 ASN C 143 0.5 12.011 | |
| 490 421 opls_236 27 ASN O 143 -0.5 15.9994 ; qtot 4 | |
| 491 ; residue 28 TRP rtp TRP q 0.0 | |
| 492 422 opls_238 28 TRP N 144 -0.5 14.0067 | |
| 493 423 opls_241 28 TRP H 144 0.3 1.008 | |
| 494 424 opls_224B 28 TRP CA 144 0.14 12.011 | |
| 495 425 opls_140 28 TRP HA 144 0.06 1.008 | |
| 496 426 opls_136 28 TRP CB 145 -0.12 12.011 | |
| 497 427 opls_140 28 TRP HB1 145 0.06 1.008 | |
| 498 428 opls_140 28 TRP HB2 145 0.06 1.008 | |
| 499 429 opls_500 28 TRP CG 146 0.075 12.011 | |
| 500 430 opls_514 28 TRP CD1 147 -0.115 12.011 | |
| 501 431 opls_146 28 TRP HD1 147 0.115 1.008 | |
| 502 432 opls_501 28 TRP CD2 148 -0.055 12.011 | |
| 503 433 opls_503 28 TRP NE1 149 -0.57 14.0067 | |
| 504 434 opls_504 28 TRP HE1 149 0.42 1.008 | |
| 505 435 opls_502 28 TRP CE2 149 0.13 12.011 | |
| 506 436 opls_145 28 TRP CE3 150 -0.115 12.011 | |
| 507 437 opls_146 28 TRP HE3 150 0.115 1.008 | |
| 508 438 opls_145 28 TRP CZ2 151 -0.115 12.011 | |
| 509 439 opls_146 28 TRP HZ2 151 0.115 1.008 | |
| 510 440 opls_145 28 TRP CZ3 152 -0.115 12.011 | |
| 511 441 opls_146 28 TRP HZ3 152 0.115 1.008 | |
| 512 442 opls_145 28 TRP CH2 153 -0.115 12.011 | |
| 513 443 opls_146 28 TRP HH2 153 0.115 1.008 | |
| 514 444 opls_235 28 TRP C 154 0.5 12.011 | |
| 515 445 opls_236 28 TRP O 154 -0.5 15.9994 ; qtot 4 | |
| 516 ; residue 29 VAL rtp VAL q 0.0 | |
| 517 446 opls_238 29 VAL N 155 -0.5 14.0067 | |
| 518 447 opls_241 29 VAL H 155 0.3 1.008 | |
| 519 448 opls_224B 29 VAL CA 155 0.14 12.011 | |
| 520 449 opls_140 29 VAL HA 155 0.06 1.008 | |
| 521 450 opls_137 29 VAL CB 156 -0.06 12.011 | |
| 522 451 opls_140 29 VAL HB 156 0.06 1.008 | |
| 523 452 opls_135 29 VAL CG1 157 -0.18 12.011 | |
| 524 453 opls_140 29 VAL HG11 157 0.06 1.008 | |
| 525 454 opls_140 29 VAL HG12 157 0.06 1.008 | |
| 526 455 opls_140 29 VAL HG13 157 0.06 1.008 | |
| 527 456 opls_135 29 VAL CG2 158 -0.18 12.011 | |
| 528 457 opls_140 29 VAL HG21 158 0.06 1.008 | |
| 529 458 opls_140 29 VAL HG22 158 0.06 1.008 | |
| 530 459 opls_140 29 VAL HG23 158 0.06 1.008 | |
| 531 460 opls_235 29 VAL C 159 0.5 12.011 | |
| 532 461 opls_236 29 VAL O 159 -0.5 15.9994 ; qtot 4 | |
| 533 ; residue 30 CYS rtp CYS2 q 0.0 | |
| 534 462 opls_238 30 CYS N 160 -0.5 14.0067 | |
| 535 463 opls_241 30 CYS H 160 0.3 1.008 | |
| 536 464 opls_224B 30 CYS CA 160 0.14 12.011 | |
| 537 465 opls_140 30 CYS HA 160 0.06 1.008 | |
| 538 466 opls_214 30 CYS CB 161 0.0975 12.011 | |
| 539 467 opls_140 30 CYS HB1 161 0.06 1.008 | |
| 540 468 opls_140 30 CYS HB2 161 0.06 1.008 | |
| 541 469 opls_203 30 CYS SG 161 -0.2175 32.06 | |
| 542 470 opls_235 30 CYS C 162 0.5 12.011 | |
| 543 471 opls_236 30 CYS O 162 -0.5 15.9994 ; qtot 4 | |
| 544 ; residue 31 ALA rtp ALA q 0.0 | |
| 545 472 opls_238 31 ALA N 163 -0.5 14.0067 | |
| 546 473 opls_241 31 ALA H 163 0.3 1.008 | |
| 547 474 opls_224B 31 ALA CA 163 0.14 12.011 | |
| 548 475 opls_140 31 ALA HA 163 0.06 1.008 | |
| 549 476 opls_135 31 ALA CB 164 -0.18 12.011 | |
| 550 477 opls_140 31 ALA HB1 164 0.06 1.008 | |
| 551 478 opls_140 31 ALA HB2 164 0.06 1.008 | |
| 552 479 opls_140 31 ALA HB3 164 0.06 1.008 | |
| 553 480 opls_235 31 ALA C 165 0.5 12.011 | |
| 554 481 opls_236 31 ALA O 165 -0.5 15.9994 ; qtot 4 | |
| 555 ; residue 32 ALA rtp ALA q 0.0 | |
| 556 482 opls_238 32 ALA N 166 -0.5 14.0067 | |
| 557 483 opls_241 32 ALA H 166 0.3 1.008 | |
| 558 484 opls_224B 32 ALA CA 166 0.14 12.011 | |
| 559 485 opls_140 32 ALA HA 166 0.06 1.008 | |
| 560 486 opls_135 32 ALA CB 167 -0.18 12.011 | |
| 561 487 opls_140 32 ALA HB1 167 0.06 1.008 | |
| 562 488 opls_140 32 ALA HB2 167 0.06 1.008 | |
| 563 489 opls_140 32 ALA HB3 167 0.06 1.008 | |
| 564 490 opls_235 32 ALA C 168 0.5 12.011 | |
| 565 491 opls_236 32 ALA O 168 -0.5 15.9994 ; qtot 4 | |
| 566 ; residue 33 LYS rtp LYSH q +1.0 | |
| 567 492 opls_238 33 LYS N 169 -0.5 14.0067 | |
| 568 493 opls_241 33 LYS H 169 0.3 1.008 | |
| 569 494 opls_224B 33 LYS CA 169 0.14 12.011 | |
| 570 495 opls_140 33 LYS HA 169 0.06 1.008 | |
| 571 496 opls_136 33 LYS CB 170 -0.12 12.011 | |
| 572 497 opls_140 33 LYS HB1 170 0.06 1.008 | |
| 573 498 opls_140 33 LYS HB2 170 0.06 1.008 | |
| 574 499 opls_136 33 LYS CG 171 -0.12 12.011 | |
| 575 500 opls_140 33 LYS HG1 171 0.06 1.008 | |
| 576 501 opls_140 33 LYS HG2 171 0.06 1.008 | |
| 577 502 opls_136 33 LYS CD 172 -0.12 12.011 | |
| 578 503 opls_140 33 LYS HD1 172 0.06 1.008 | |
| 579 504 opls_140 33 LYS HD2 172 0.06 1.008 | |
| 580 505 opls_292 33 LYS CE 173 0.19 12.011 | |
| 581 506 opls_140 33 LYS HE1 173 0.06 1.008 | |
| 582 507 opls_140 33 LYS HE2 173 0.06 1.008 | |
| 583 508 opls_287 33 LYS NZ 174 -0.3 14.0067 | |
| 584 509 opls_290 33 LYS HZ1 174 0.33 1.008 | |
| 585 510 opls_290 33 LYS HZ2 174 0.33 1.008 | |
| 586 511 opls_290 33 LYS HZ3 174 0.33 1.008 | |
| 587 512 opls_235 33 LYS C 175 0.5 12.011 | |
| 588 513 opls_236 33 LYS O 175 -0.5 15.9994 ; qtot 5 | |
| 589 ; residue 34 PHE rtp PHE q 0.0 | |
| 590 514 opls_238 34 PHE N 176 -0.5 14.0067 | |
| 591 515 opls_241 34 PHE H 176 0.3 1.008 | |
| 592 516 opls_224B 34 PHE CA 176 0.14 12.011 | |
| 593 517 opls_140 34 PHE HA 176 0.06 1.008 | |
| 594 518 opls_149 34 PHE CB 177 -0.005 12.011 | |
| 595 519 opls_140 34 PHE HB1 177 0.06 1.008 | |
| 596 520 opls_140 34 PHE HB2 177 0.06 1.008 | |
| 597 521 opls_145 34 PHE CG 177 -0.115 12.011 | |
| 598 522 opls_145 34 PHE CD1 178 -0.115 12.011 | |
| 599 523 opls_146 34 PHE HD1 178 0.115 1.008 | |
| 600 524 opls_145 34 PHE CD2 179 -0.115 12.011 | |
| 601 525 opls_146 34 PHE HD2 179 0.115 1.008 | |
| 602 526 opls_145 34 PHE CE1 180 -0.115 12.011 | |
| 603 527 opls_146 34 PHE HE1 180 0.115 1.008 | |
| 604 528 opls_145 34 PHE CE2 181 -0.115 12.011 | |
| 605 529 opls_146 34 PHE HE2 181 0.115 1.008 | |
| 606 530 opls_145 34 PHE CZ 182 -0.115 12.011 | |
| 607 531 opls_146 34 PHE HZ 182 0.115 1.008 | |
| 608 532 opls_235 34 PHE C 183 0.5 12.011 | |
| 609 533 opls_236 34 PHE O 183 -0.5 15.9994 ; qtot 5 | |
| 610 ; residue 35 GLU rtp GLU q -1.0 | |
| 611 534 opls_238 35 GLU N 184 -0.5 14.0067 | |
| 612 535 opls_241 35 GLU H 184 0.3 1.008 | |
| 613 536 opls_224B 35 GLU CA 184 0.14 12.011 | |
| 614 537 opls_140 35 GLU HA 184 0.06 1.008 | |
| 615 538 opls_136 35 GLU CB 185 -0.12 12.011 | |
| 616 539 opls_140 35 GLU HB1 185 0.06 1.008 | |
| 617 540 opls_140 35 GLU HB2 185 0.06 1.008 | |
| 618 541 opls_274 35 GLU CG 186 -0.22 12.011 | |
| 619 542 opls_140 35 GLU HG1 186 0.06 1.008 | |
| 620 543 opls_140 35 GLU HG2 186 0.06 1.008 | |
| 621 544 opls_271 35 GLU CD 187 0.7 12.011 | |
| 622 545 opls_272 35 GLU OE1 187 -0.8 15.9994 | |
| 623 546 opls_272 35 GLU OE2 187 -0.8 15.9994 | |
| 624 547 opls_235 35 GLU C 188 0.5 12.011 | |
| 625 548 opls_236 35 GLU O 188 -0.5 15.9994 ; qtot 4 | |
| 626 ; residue 36 SER rtp SER q 0.0 | |
| 627 549 opls_238 36 SER N 189 -0.5 14.0067 | |
| 628 550 opls_241 36 SER H 189 0.3 1.008 | |
| 629 551 opls_224B 36 SER CA 189 0.14 12.011 | |
| 630 552 opls_140 36 SER HA 189 0.06 1.008 | |
| 631 553 opls_157 36 SER CB 190 0.145 12.011 | |
| 632 554 opls_140 36 SER HB1 190 0.06 1.008 | |
| 633 555 opls_140 36 SER HB2 190 0.06 1.008 | |
| 634 556 opls_154 36 SER OG 191 -0.683 15.9994 | |
| 635 557 opls_155 36 SER HG 191 0.418 1.008 | |
| 636 558 opls_235 36 SER C 192 0.5 12.011 | |
| 637 559 opls_236 36 SER O 192 -0.5 15.9994 ; qtot 4 | |
| 638 ; residue 37 ASN rtp ASN q 0.0 | |
| 639 560 opls_238 37 ASN N 193 -0.5 14.0067 | |
| 640 561 opls_241 37 ASN H 193 0.3 1.008 | |
| 641 562 opls_224B 37 ASN CA 194 0.14 12.011 | |
| 642 563 opls_140 37 ASN HA 194 0.06 1.008 | |
| 643 564 opls_136 37 ASN CB 195 -0.12 12.011 | |
| 644 565 opls_140 37 ASN HB1 195 0.06 1.008 | |
| 645 566 opls_140 37 ASN HB2 195 0.06 1.008 | |
| 646 567 opls_235 37 ASN CG 196 0.5 12.011 | |
| 647 568 opls_236 37 ASN OD1 196 -0.5 15.9994 | |
| 648 569 opls_237 37 ASN ND2 197 -0.76 14.0067 | |
| 649 570 opls_240 37 ASN HD21 197 0.38 1.008 | |
| 650 571 opls_240 37 ASN HD22 197 0.38 1.008 | |
| 651 572 opls_235 37 ASN C 198 0.5 12.011 | |
| 652 573 opls_236 37 ASN O 198 -0.5 15.9994 ; qtot 4 | |
| 653 ; residue 38 PHE rtp PHE q 0.0 | |
| 654 574 opls_238 38 PHE N 199 -0.5 14.0067 | |
| 655 575 opls_241 38 PHE H 199 0.3 1.008 | |
| 656 576 opls_224B 38 PHE CA 199 0.14 12.011 | |
| 657 577 opls_140 38 PHE HA 199 0.06 1.008 | |
| 658 578 opls_149 38 PHE CB 200 -0.005 12.011 | |
| 659 579 opls_140 38 PHE HB1 200 0.06 1.008 | |
| 660 580 opls_140 38 PHE HB2 200 0.06 1.008 | |
| 661 581 opls_145 38 PHE CG 200 -0.115 12.011 | |
| 662 582 opls_145 38 PHE CD1 201 -0.115 12.011 | |
| 663 583 opls_146 38 PHE HD1 201 0.115 1.008 | |
| 664 584 opls_145 38 PHE CD2 202 -0.115 12.011 | |
| 665 585 opls_146 38 PHE HD2 202 0.115 1.008 | |
| 666 586 opls_145 38 PHE CE1 203 -0.115 12.011 | |
| 667 587 opls_146 38 PHE HE1 203 0.115 1.008 | |
| 668 588 opls_145 38 PHE CE2 204 -0.115 12.011 | |
| 669 589 opls_146 38 PHE HE2 204 0.115 1.008 | |
| 670 590 opls_145 38 PHE CZ 205 -0.115 12.011 | |
| 671 591 opls_146 38 PHE HZ 205 0.115 1.008 | |
| 672 592 opls_235 38 PHE C 206 0.5 12.011 | |
| 673 593 opls_236 38 PHE O 206 -0.5 15.9994 ; qtot 4 | |
| 674 ; residue 39 ASN rtp ASN q 0.0 | |
| 675 594 opls_238 39 ASN N 207 -0.5 14.0067 | |
| 676 595 opls_241 39 ASN H 207 0.3 1.008 | |
| 677 596 opls_224B 39 ASN CA 208 0.14 12.011 | |
| 678 597 opls_140 39 ASN HA 208 0.06 1.008 | |
| 679 598 opls_136 39 ASN CB 209 -0.12 12.011 | |
| 680 599 opls_140 39 ASN HB1 209 0.06 1.008 | |
| 681 600 opls_140 39 ASN HB2 209 0.06 1.008 | |
| 682 601 opls_235 39 ASN CG 210 0.5 12.011 | |
| 683 602 opls_236 39 ASN OD1 210 -0.5 15.9994 | |
| 684 603 opls_237 39 ASN ND2 211 -0.76 14.0067 | |
| 685 604 opls_240 39 ASN HD21 211 0.38 1.008 | |
| 686 605 opls_240 39 ASN HD22 211 0.38 1.008 | |
| 687 606 opls_235 39 ASN C 212 0.5 12.011 | |
| 688 607 opls_236 39 ASN O 212 -0.5 15.9994 ; qtot 4 | |
| 689 ; residue 40 THR rtp THR q 0.0 | |
| 690 608 opls_238 40 THR N 213 -0.5 14.0067 | |
| 691 609 opls_241 40 THR H 213 0.3 1.008 | |
| 692 610 opls_224B 40 THR CA 213 0.14 12.011 | |
| 693 611 opls_140 40 THR HA 213 0.06 1.008 | |
| 694 612 opls_158 40 THR CB 214 0.205 12.011 | |
| 695 613 opls_140 40 THR HB 214 0.06 1.008 | |
| 696 614 opls_154 40 THR OG1 214 -0.683 15.9994 | |
| 697 615 opls_155 40 THR HG1 214 0.418 1.008 | |
| 698 616 opls_135 40 THR CG2 215 -0.18 12.011 | |
| 699 617 opls_140 40 THR HG21 215 0.06 1.008 | |
| 700 618 opls_140 40 THR HG22 215 0.06 1.008 | |
| 701 619 opls_140 40 THR HG23 215 0.06 1.008 | |
| 702 620 opls_235 40 THR C 216 0.5 12.011 | |
| 703 621 opls_236 40 THR O 216 -0.5 15.9994 ; qtot 4 | |
| 704 ; residue 41 GLN rtp GLN q 0.0 | |
| 705 622 opls_238 41 GLN N 217 -0.5 14.0067 | |
| 706 623 opls_241 41 GLN H 217 0.3 1.008 | |
| 707 624 opls_224B 41 GLN CA 218 0.14 12.011 | |
| 708 625 opls_140 41 GLN HA 218 0.06 1.008 | |
| 709 626 opls_136 41 GLN CB 219 -0.12 12.011 | |
| 710 627 opls_140 41 GLN HB1 219 0.06 1.008 | |
| 711 628 opls_140 41 GLN HB2 219 0.06 1.008 | |
| 712 629 opls_136 41 GLN CG 220 -0.12 12.011 | |
| 713 630 opls_140 41 GLN HG1 220 0.06 1.008 | |
| 714 631 opls_140 41 GLN HG2 220 0.06 1.008 | |
| 715 632 opls_235 41 GLN CD 221 0.5 12.011 | |
| 716 633 opls_236 41 GLN OE1 221 -0.5 15.9994 | |
| 717 634 opls_237 41 GLN NE2 222 -0.76 14.0067 | |
| 718 635 opls_240 41 GLN HE21 222 0.38 1.008 | |
| 719 636 opls_240 41 GLN HE22 222 0.38 1.008 | |
| 720 637 opls_235 41 GLN C 223 0.5 12.011 | |
| 721 638 opls_236 41 GLN O 223 -0.5 15.9994 ; qtot 4 | |
| 722 ; residue 42 ALA rtp ALA q 0.0 | |
| 723 639 opls_238 42 ALA N 224 -0.5 14.0067 | |
| 724 640 opls_241 42 ALA H 224 0.3 1.008 | |
| 725 641 opls_224B 42 ALA CA 224 0.14 12.011 | |
| 726 642 opls_140 42 ALA HA 224 0.06 1.008 | |
| 727 643 opls_135 42 ALA CB 225 -0.18 12.011 | |
| 728 644 opls_140 42 ALA HB1 225 0.06 1.008 | |
| 729 645 opls_140 42 ALA HB2 225 0.06 1.008 | |
| 730 646 opls_140 42 ALA HB3 225 0.06 1.008 | |
| 731 647 opls_235 42 ALA C 226 0.5 12.011 | |
| 732 648 opls_236 42 ALA O 226 -0.5 15.9994 ; qtot 4 | |
| 733 ; residue 43 THR rtp THR q 0.0 | |
| 734 649 opls_238 43 THR N 227 -0.5 14.0067 | |
| 735 650 opls_241 43 THR H 227 0.3 1.008 | |
| 736 651 opls_224B 43 THR CA 227 0.14 12.011 | |
| 737 652 opls_140 43 THR HA 227 0.06 1.008 | |
| 738 653 opls_158 43 THR CB 228 0.205 12.011 | |
| 739 654 opls_140 43 THR HB 228 0.06 1.008 | |
| 740 655 opls_154 43 THR OG1 228 -0.683 15.9994 | |
| 741 656 opls_155 43 THR HG1 228 0.418 1.008 | |
| 742 657 opls_135 43 THR CG2 229 -0.18 12.011 | |
| 743 658 opls_140 43 THR HG21 229 0.06 1.008 | |
| 744 659 opls_140 43 THR HG22 229 0.06 1.008 | |
| 745 660 opls_140 43 THR HG23 229 0.06 1.008 | |
| 746 661 opls_235 43 THR C 230 0.5 12.011 | |
| 747 662 opls_236 43 THR O 230 -0.5 15.9994 ; qtot 4 | |
| 748 ; residue 44 ASN rtp ASN q 0.0 | |
| 749 663 opls_238 44 ASN N 231 -0.5 14.0067 | |
| 750 664 opls_241 44 ASN H 231 0.3 1.008 | |
| 751 665 opls_224B 44 ASN CA 232 0.14 12.011 | |
| 752 666 opls_140 44 ASN HA 232 0.06 1.008 | |
| 753 667 opls_136 44 ASN CB 233 -0.12 12.011 | |
| 754 668 opls_140 44 ASN HB1 233 0.06 1.008 | |
| 755 669 opls_140 44 ASN HB2 233 0.06 1.008 | |
| 756 670 opls_235 44 ASN CG 234 0.5 12.011 | |
| 757 671 opls_236 44 ASN OD1 234 -0.5 15.9994 | |
| 758 672 opls_237 44 ASN ND2 235 -0.76 14.0067 | |
| 759 673 opls_240 44 ASN HD21 235 0.38 1.008 | |
| 760 674 opls_240 44 ASN HD22 235 0.38 1.008 | |
| 761 675 opls_235 44 ASN C 236 0.5 12.011 | |
| 762 676 opls_236 44 ASN O 236 -0.5 15.9994 ; qtot 4 | |
| 763 ; residue 45 ARG rtp ARG q +1.0 | |
| 764 677 opls_238 45 ARG N 237 -0.5 14.0067 | |
| 765 678 opls_241 45 ARG H 237 0.3 1.008 | |
| 766 679 opls_224B 45 ARG CA 237 0.14 12.011 | |
| 767 680 opls_140 45 ARG HA 237 0.06 1.008 | |
| 768 681 opls_136 45 ARG CB 238 -0.12 12.011 | |
| 769 682 opls_140 45 ARG HB1 238 0.06 1.008 | |
| 770 683 opls_140 45 ARG HB2 238 0.06 1.008 | |
| 771 684 opls_308 45 ARG CG 239 -0.05 12.011 | |
| 772 685 opls_140 45 ARG HG1 239 0.06 1.008 | |
| 773 686 opls_140 45 ARG HG2 239 0.06 1.008 | |
| 774 687 opls_307 45 ARG CD 240 0.19 12.011 | |
| 775 688 opls_140 45 ARG HD1 240 0.06 1.008 | |
| 776 689 opls_140 45 ARG HD2 240 0.06 1.008 | |
| 777 690 opls_303 45 ARG NE 241 -0.7 14.0067 | |
| 778 691 opls_304 45 ARG HE 241 0.44 1.008 | |
| 779 692 opls_302 45 ARG CZ 241 0.64 12.011 | |
| 780 693 opls_300 45 ARG NH1 242 -0.8 14.0067 | |
| 781 694 opls_301 45 ARG HH11 242 0.46 1.008 | |
| 782 695 opls_301 45 ARG HH12 242 0.46 1.008 | |
| 783 696 opls_300 45 ARG NH2 243 -0.8 14.0067 | |
| 784 697 opls_301 45 ARG HH21 243 0.46 1.008 | |
| 785 698 opls_301 45 ARG HH22 243 0.46 1.008 | |
| 786 699 opls_235 45 ARG C 244 0.5 12.011 | |
| 787 700 opls_236 45 ARG O 244 -0.5 15.9994 ; qtot 5 | |
| 788 ; residue 46 ASN rtp ASN q 0.0 | |
| 789 701 opls_238 46 ASN N 245 -0.5 14.0067 | |
| 790 702 opls_241 46 ASN H 245 0.3 1.008 | |
| 791 703 opls_224B 46 ASN CA 246 0.14 12.011 | |
| 792 704 opls_140 46 ASN HA 246 0.06 1.008 | |
| 793 705 opls_136 46 ASN CB 247 -0.12 12.011 | |
| 794 706 opls_140 46 ASN HB1 247 0.06 1.008 | |
| 795 707 opls_140 46 ASN HB2 247 0.06 1.008 | |
| 796 708 opls_235 46 ASN CG 248 0.5 12.011 | |
| 797 709 opls_236 46 ASN OD1 248 -0.5 15.9994 | |
| 798 710 opls_237 46 ASN ND2 249 -0.76 14.0067 | |
| 799 711 opls_240 46 ASN HD21 249 0.38 1.008 | |
| 800 712 opls_240 46 ASN HD22 249 0.38 1.008 | |
| 801 713 opls_235 46 ASN C 250 0.5 12.011 | |
| 802 714 opls_236 46 ASN O 250 -0.5 15.9994 ; qtot 5 | |
| 803 ; residue 47 THR rtp THR q 0.0 | |
| 804 715 opls_238 47 THR N 251 -0.5 14.0067 | |
| 805 716 opls_241 47 THR H 251 0.3 1.008 | |
| 806 717 opls_224B 47 THR CA 251 0.14 12.011 | |
| 807 718 opls_140 47 THR HA 251 0.06 1.008 | |
| 808 719 opls_158 47 THR CB 252 0.205 12.011 | |
| 809 720 opls_140 47 THR HB 252 0.06 1.008 | |
| 810 721 opls_154 47 THR OG1 252 -0.683 15.9994 | |
| 811 722 opls_155 47 THR HG1 252 0.418 1.008 | |
| 812 723 opls_135 47 THR CG2 253 -0.18 12.011 | |
| 813 724 opls_140 47 THR HG21 253 0.06 1.008 | |
| 814 725 opls_140 47 THR HG22 253 0.06 1.008 | |
| 815 726 opls_140 47 THR HG23 253 0.06 1.008 | |
| 816 727 opls_235 47 THR C 254 0.5 12.011 | |
| 817 728 opls_236 47 THR O 254 -0.5 15.9994 ; qtot 5 | |
| 818 ; residue 48 ASP rtp ASP q -1.0 | |
| 819 729 opls_238 48 ASP N 255 -0.5 14.0067 | |
| 820 730 opls_241 48 ASP H 255 0.3 1.008 | |
| 821 731 opls_224B 48 ASP CA 255 0.14 12.011 | |
| 822 732 opls_140 48 ASP HA 255 0.06 1.008 | |
| 823 733 opls_274 48 ASP CB 256 -0.22 12.011 | |
| 824 734 opls_140 48 ASP HB1 256 0.06 1.008 | |
| 825 735 opls_140 48 ASP HB2 256 0.06 1.008 | |
| 826 736 opls_271 48 ASP CG 257 0.7 12.011 | |
| 827 737 opls_272 48 ASP OD1 257 -0.8 15.9994 | |
| 828 738 opls_272 48 ASP OD2 257 -0.8 15.9994 | |
| 829 739 opls_235 48 ASP C 258 0.5 12.011 | |
| 830 740 opls_236 48 ASP O 258 -0.5 15.9994 ; qtot 4 | |
| 831 ; residue 49 GLY rtp GLY q 0.0 | |
| 832 741 opls_238 49 GLY N 259 -0.5 14.0067 | |
| 833 742 opls_241 49 GLY H 259 0.3 1.008 | |
| 834 743 opls_223B 49 GLY CA 259 0.08 12.011 | |
| 835 744 opls_140 49 GLY HA1 259 0.06 1.008 | |
| 836 745 opls_140 49 GLY HA2 259 0.06 1.008 | |
| 837 746 opls_235 49 GLY C 260 0.5 12.011 | |
| 838 747 opls_236 49 GLY O 260 -0.5 15.9994 ; qtot 4 | |
| 839 ; residue 50 SER rtp SER q 0.0 | |
| 840 748 opls_238 50 SER N 261 -0.5 14.0067 | |
| 841 749 opls_241 50 SER H 261 0.3 1.008 | |
| 842 750 opls_224B 50 SER CA 261 0.14 12.011 | |
| 843 751 opls_140 50 SER HA 261 0.06 1.008 | |
| 844 752 opls_157 50 SER CB 262 0.145 12.011 | |
| 845 753 opls_140 50 SER HB1 262 0.06 1.008 | |
| 846 754 opls_140 50 SER HB2 262 0.06 1.008 | |
| 847 755 opls_154 50 SER OG 263 -0.683 15.9994 | |
| 848 756 opls_155 50 SER HG 263 0.418 1.008 | |
| 849 757 opls_235 50 SER C 264 0.5 12.011 | |
| 850 758 opls_236 50 SER O 264 -0.5 15.9994 ; qtot 4 | |
| 851 ; residue 51 THR rtp THR q 0.0 | |
| 852 759 opls_238 51 THR N 265 -0.5 14.0067 | |
| 853 760 opls_241 51 THR H 265 0.3 1.008 | |
| 854 761 opls_224B 51 THR CA 265 0.14 12.011 | |
| 855 762 opls_140 51 THR HA 265 0.06 1.008 | |
| 856 763 opls_158 51 THR CB 266 0.205 12.011 | |
| 857 764 opls_140 51 THR HB 266 0.06 1.008 | |
| 858 765 opls_154 51 THR OG1 266 -0.683 15.9994 | |
| 859 766 opls_155 51 THR HG1 266 0.418 1.008 | |
| 860 767 opls_135 51 THR CG2 267 -0.18 12.011 | |
| 861 768 opls_140 51 THR HG21 267 0.06 1.008 | |
| 862 769 opls_140 51 THR HG22 267 0.06 1.008 | |
| 863 770 opls_140 51 THR HG23 267 0.06 1.008 | |
| 864 771 opls_235 51 THR C 268 0.5 12.011 | |
| 865 772 opls_236 51 THR O 268 -0.5 15.9994 ; qtot 4 | |
| 866 ; residue 52 ASP rtp ASP q -1.0 | |
| 867 773 opls_238 52 ASP N 269 -0.5 14.0067 | |
| 868 774 opls_241 52 ASP H 269 0.3 1.008 | |
| 869 775 opls_224B 52 ASP CA 269 0.14 12.011 | |
| 870 776 opls_140 52 ASP HA 269 0.06 1.008 | |
| 871 777 opls_274 52 ASP CB 270 -0.22 12.011 | |
| 872 778 opls_140 52 ASP HB1 270 0.06 1.008 | |
| 873 779 opls_140 52 ASP HB2 270 0.06 1.008 | |
| 874 780 opls_271 52 ASP CG 271 0.7 12.011 | |
| 875 781 opls_272 52 ASP OD1 271 -0.8 15.9994 | |
| 876 782 opls_272 52 ASP OD2 271 -0.8 15.9994 | |
| 877 783 opls_235 52 ASP C 272 0.5 12.011 | |
| 878 784 opls_236 52 ASP O 272 -0.5 15.9994 ; qtot 3 | |
| 879 ; residue 53 TYR rtp TYR q 0.0 | |
| 880 785 opls_238 53 TYR N 273 -0.5 14.0067 | |
| 881 786 opls_241 53 TYR H 273 0.3 1.008 | |
| 882 787 opls_224B 53 TYR CA 273 0.14 12.011 | |
| 883 788 opls_140 53 TYR HA 273 0.06 1.008 | |
| 884 789 opls_149 53 TYR CB 274 -0.005 12.011 | |
| 885 790 opls_140 53 TYR HB1 274 0.06 1.008 | |
| 886 791 opls_140 53 TYR HB2 274 0.06 1.008 | |
| 887 792 opls_145 53 TYR CG 274 -0.115 12.011 | |
| 888 793 opls_145 53 TYR CD1 275 -0.115 12.011 | |
| 889 794 opls_146 53 TYR HD1 275 0.115 1.008 | |
| 890 795 opls_145 53 TYR CD2 276 -0.115 12.011 | |
| 891 796 opls_146 53 TYR HD2 276 0.115 1.008 | |
| 892 797 opls_145 53 TYR CE1 277 -0.115 12.011 | |
| 893 798 opls_146 53 TYR HE1 277 0.115 1.008 | |
| 894 799 opls_145 53 TYR CE2 278 -0.115 12.011 | |
| 895 800 opls_146 53 TYR HE2 278 0.115 1.008 | |
| 896 801 opls_166 53 TYR CZ 279 0.15 12.011 | |
| 897 802 opls_167 53 TYR OH 279 -0.585 15.9994 | |
| 898 803 opls_168 53 TYR HH 279 0.435 1.008 | |
| 899 804 opls_235 53 TYR C 280 0.5 12.011 | |
| 900 805 opls_236 53 TYR O 280 -0.5 15.9994 ; qtot 3 | |
| 901 ; residue 54 GLY rtp GLY q 0.0 | |
| 902 806 opls_238 54 GLY N 281 -0.5 14.0067 | |
| 903 807 opls_241 54 GLY H 281 0.3 1.008 | |
| 904 808 opls_223B 54 GLY CA 281 0.08 12.011 | |
| 905 809 opls_140 54 GLY HA1 281 0.06 1.008 | |
| 906 810 opls_140 54 GLY HA2 281 0.06 1.008 | |
| 907 811 opls_235 54 GLY C 282 0.5 12.011 | |
| 908 812 opls_236 54 GLY O 282 -0.5 15.9994 ; qtot 3 | |
| 909 ; residue 55 ILE rtp ILE q 0.0 | |
| 910 813 opls_238 55 ILE N 283 -0.5 14.0067 | |
| 911 814 opls_241 55 ILE H 283 0.3 1.008 | |
| 912 815 opls_224B 55 ILE CA 283 0.14 12.011 | |
| 913 816 opls_140 55 ILE HA 283 0.06 1.008 | |
| 914 817 opls_137 55 ILE CB 284 -0.06 12.011 | |
| 915 818 opls_140 55 ILE HB 284 0.06 1.008 | |
| 916 819 opls_136 55 ILE CG1 285 -0.12 12.011 | |
| 917 820 opls_140 55 ILE HG11 285 0.06 1.008 | |
| 918 821 opls_140 55 ILE HG12 285 0.06 1.008 | |
| 919 822 opls_135 55 ILE CG2 286 -0.18 12.011 | |
| 920 823 opls_140 55 ILE HG21 286 0.06 1.008 | |
| 921 824 opls_140 55 ILE HG22 286 0.06 1.008 | |
| 922 825 opls_140 55 ILE HG23 286 0.06 1.008 | |
| 923 826 opls_135 55 ILE CD 287 -0.18 12.011 | |
| 924 827 opls_140 55 ILE HD1 287 0.06 1.008 | |
| 925 828 opls_140 55 ILE HD2 287 0.06 1.008 | |
| 926 829 opls_140 55 ILE HD3 287 0.06 1.008 | |
| 927 830 opls_235 55 ILE C 288 0.5 12.011 | |
| 928 831 opls_236 55 ILE O 288 -0.5 15.9994 ; qtot 3 | |
| 929 ; residue 56 LEU rtp LEU q 0.0 | |
| 930 832 opls_238 56 LEU N 289 -0.5 14.0067 | |
| 931 833 opls_241 56 LEU H 289 0.3 1.008 | |
| 932 834 opls_224B 56 LEU CA 289 0.14 12.011 | |
| 933 835 opls_140 56 LEU HA 289 0.06 1.008 | |
| 934 836 opls_136 56 LEU CB 290 -0.12 12.011 | |
| 935 837 opls_140 56 LEU HB1 290 0.06 1.008 | |
| 936 838 opls_140 56 LEU HB2 290 0.06 1.008 | |
| 937 839 opls_137 56 LEU CG 291 -0.06 12.011 | |
| 938 840 opls_140 56 LEU HG 291 0.06 1.008 | |
| 939 841 opls_135 56 LEU CD1 292 -0.18 12.011 | |
| 940 842 opls_140 56 LEU HD11 292 0.06 1.008 | |
| 941 843 opls_140 56 LEU HD12 292 0.06 1.008 | |
| 942 844 opls_140 56 LEU HD13 292 0.06 1.008 | |
| 943 845 opls_135 56 LEU CD2 293 -0.18 12.011 | |
| 944 846 opls_140 56 LEU HD21 293 0.06 1.008 | |
| 945 847 opls_140 56 LEU HD22 293 0.06 1.008 | |
| 946 848 opls_140 56 LEU HD23 293 0.06 1.008 | |
| 947 849 opls_235 56 LEU C 294 0.5 12.011 | |
| 948 850 opls_236 56 LEU O 294 -0.5 15.9994 ; qtot 3 | |
| 949 ; residue 57 GLN rtp GLN q 0.0 | |
| 950 851 opls_238 57 GLN N 295 -0.5 14.0067 | |
| 951 852 opls_241 57 GLN H 295 0.3 1.008 | |
| 952 853 opls_224B 57 GLN CA 296 0.14 12.011 | |
| 953 854 opls_140 57 GLN HA 296 0.06 1.008 | |
| 954 855 opls_136 57 GLN CB 297 -0.12 12.011 | |
| 955 856 opls_140 57 GLN HB1 297 0.06 1.008 | |
| 956 857 opls_140 57 GLN HB2 297 0.06 1.008 | |
| 957 858 opls_136 57 GLN CG 298 -0.12 12.011 | |
| 958 859 opls_140 57 GLN HG1 298 0.06 1.008 | |
| 959 860 opls_140 57 GLN HG2 298 0.06 1.008 | |
| 960 861 opls_235 57 GLN CD 299 0.5 12.011 | |
| 961 862 opls_236 57 GLN OE1 299 -0.5 15.9994 | |
| 962 863 opls_237 57 GLN NE2 300 -0.76 14.0067 | |
| 963 864 opls_240 57 GLN HE21 300 0.38 1.008 | |
| 964 865 opls_240 57 GLN HE22 300 0.38 1.008 | |
| 965 866 opls_235 57 GLN C 301 0.5 12.011 | |
| 966 867 opls_236 57 GLN O 301 -0.5 15.9994 ; qtot 3 | |
| 967 ; residue 58 ILE rtp ILE q 0.0 | |
| 968 868 opls_238 58 ILE N 302 -0.5 14.0067 | |
| 969 869 opls_241 58 ILE H 302 0.3 1.008 | |
| 970 870 opls_224B 58 ILE CA 302 0.14 12.011 | |
| 971 871 opls_140 58 ILE HA 302 0.06 1.008 | |
| 972 872 opls_137 58 ILE CB 303 -0.06 12.011 | |
| 973 873 opls_140 58 ILE HB 303 0.06 1.008 | |
| 974 874 opls_136 58 ILE CG1 304 -0.12 12.011 | |
| 975 875 opls_140 58 ILE HG11 304 0.06 1.008 | |
| 976 876 opls_140 58 ILE HG12 304 0.06 1.008 | |
| 977 877 opls_135 58 ILE CG2 305 -0.18 12.011 | |
| 978 878 opls_140 58 ILE HG21 305 0.06 1.008 | |
| 979 879 opls_140 58 ILE HG22 305 0.06 1.008 | |
| 980 880 opls_140 58 ILE HG23 305 0.06 1.008 | |
| 981 881 opls_135 58 ILE CD 306 -0.18 12.011 | |
| 982 882 opls_140 58 ILE HD1 306 0.06 1.008 | |
| 983 883 opls_140 58 ILE HD2 306 0.06 1.008 | |
| 984 884 opls_140 58 ILE HD3 306 0.06 1.008 | |
| 985 885 opls_235 58 ILE C 307 0.5 12.011 | |
| 986 886 opls_236 58 ILE O 307 -0.5 15.9994 ; qtot 3 | |
| 987 ; residue 59 ASN rtp ASN q 0.0 | |
| 988 887 opls_238 59 ASN N 308 -0.5 14.0067 | |
| 989 888 opls_241 59 ASN H 308 0.3 1.008 | |
| 990 889 opls_224B 59 ASN CA 309 0.14 12.011 | |
| 991 890 opls_140 59 ASN HA 309 0.06 1.008 | |
| 992 891 opls_136 59 ASN CB 310 -0.12 12.011 | |
| 993 892 opls_140 59 ASN HB1 310 0.06 1.008 | |
| 994 893 opls_140 59 ASN HB2 310 0.06 1.008 | |
| 995 894 opls_235 59 ASN CG 311 0.5 12.011 | |
| 996 895 opls_236 59 ASN OD1 311 -0.5 15.9994 | |
| 997 896 opls_237 59 ASN ND2 312 -0.76 14.0067 | |
| 998 897 opls_240 59 ASN HD21 312 0.38 1.008 | |
| 999 898 opls_240 59 ASN HD22 312 0.38 1.008 | |
| 1000 899 opls_235 59 ASN C 313 0.5 12.011 | |
| 1001 900 opls_236 59 ASN O 313 -0.5 15.9994 ; qtot 3 | |
| 1002 ; residue 60 SER rtp SER q 0.0 | |
| 1003 901 opls_238 60 SER N 314 -0.5 14.0067 | |
| 1004 902 opls_241 60 SER H 314 0.3 1.008 | |
| 1005 903 opls_224B 60 SER CA 314 0.14 12.011 | |
| 1006 904 opls_140 60 SER HA 314 0.06 1.008 | |
| 1007 905 opls_157 60 SER CB 315 0.145 12.011 | |
| 1008 906 opls_140 60 SER HB1 315 0.06 1.008 | |
| 1009 907 opls_140 60 SER HB2 315 0.06 1.008 | |
| 1010 908 opls_154 60 SER OG 316 -0.683 15.9994 | |
| 1011 909 opls_155 60 SER HG 316 0.418 1.008 | |
| 1012 910 opls_235 60 SER C 317 0.5 12.011 | |
| 1013 911 opls_236 60 SER O 317 -0.5 15.9994 ; qtot 3 | |
| 1014 ; residue 61 ARG rtp ARG q +1.0 | |
| 1015 912 opls_238 61 ARG N 318 -0.5 14.0067 | |
| 1016 913 opls_241 61 ARG H 318 0.3 1.008 | |
| 1017 914 opls_224B 61 ARG CA 318 0.14 12.011 | |
| 1018 915 opls_140 61 ARG HA 318 0.06 1.008 | |
| 1019 916 opls_136 61 ARG CB 319 -0.12 12.011 | |
| 1020 917 opls_140 61 ARG HB1 319 0.06 1.008 | |
| 1021 918 opls_140 61 ARG HB2 319 0.06 1.008 | |
| 1022 919 opls_308 61 ARG CG 320 -0.05 12.011 | |
| 1023 920 opls_140 61 ARG HG1 320 0.06 1.008 | |
| 1024 921 opls_140 61 ARG HG2 320 0.06 1.008 | |
| 1025 922 opls_307 61 ARG CD 321 0.19 12.011 | |
| 1026 923 opls_140 61 ARG HD1 321 0.06 1.008 | |
| 1027 924 opls_140 61 ARG HD2 321 0.06 1.008 | |
| 1028 925 opls_303 61 ARG NE 322 -0.7 14.0067 | |
| 1029 926 opls_304 61 ARG HE 322 0.44 1.008 | |
| 1030 927 opls_302 61 ARG CZ 322 0.64 12.011 | |
| 1031 928 opls_300 61 ARG NH1 323 -0.8 14.0067 | |
| 1032 929 opls_301 61 ARG HH11 323 0.46 1.008 | |
| 1033 930 opls_301 61 ARG HH12 323 0.46 1.008 | |
| 1034 931 opls_300 61 ARG NH2 324 -0.8 14.0067 | |
| 1035 932 opls_301 61 ARG HH21 324 0.46 1.008 | |
| 1036 933 opls_301 61 ARG HH22 324 0.46 1.008 | |
| 1037 934 opls_235 61 ARG C 325 0.5 12.011 | |
| 1038 935 opls_236 61 ARG O 325 -0.5 15.9994 ; qtot 4 | |
| 1039 ; residue 62 TRP rtp TRP q 0.0 | |
| 1040 936 opls_238 62 TRP N 326 -0.5 14.0067 | |
| 1041 937 opls_241 62 TRP H 326 0.3 1.008 | |
| 1042 938 opls_224B 62 TRP CA 326 0.14 12.011 | |
| 1043 939 opls_140 62 TRP HA 326 0.06 1.008 | |
| 1044 940 opls_136 62 TRP CB 327 -0.12 12.011 | |
| 1045 941 opls_140 62 TRP HB1 327 0.06 1.008 | |
| 1046 942 opls_140 62 TRP HB2 327 0.06 1.008 | |
| 1047 943 opls_500 62 TRP CG 328 0.075 12.011 | |
| 1048 944 opls_514 62 TRP CD1 329 -0.115 12.011 | |
| 1049 945 opls_146 62 TRP HD1 329 0.115 1.008 | |
| 1050 946 opls_501 62 TRP CD2 330 -0.055 12.011 | |
| 1051 947 opls_503 62 TRP NE1 331 -0.57 14.0067 | |
| 1052 948 opls_504 62 TRP HE1 331 0.42 1.008 | |
| 1053 949 opls_502 62 TRP CE2 331 0.13 12.011 | |
| 1054 950 opls_145 62 TRP CE3 332 -0.115 12.011 | |
| 1055 951 opls_146 62 TRP HE3 332 0.115 1.008 | |
| 1056 952 opls_145 62 TRP CZ2 333 -0.115 12.011 | |
| 1057 953 opls_146 62 TRP HZ2 333 0.115 1.008 | |
| 1058 954 opls_145 62 TRP CZ3 334 -0.115 12.011 | |
| 1059 955 opls_146 62 TRP HZ3 334 0.115 1.008 | |
| 1060 956 opls_145 62 TRP CH2 335 -0.115 12.011 | |
| 1061 957 opls_146 62 TRP HH2 335 0.115 1.008 | |
| 1062 958 opls_235 62 TRP C 336 0.5 12.011 | |
| 1063 959 opls_236 62 TRP O 336 -0.5 15.9994 ; qtot 4 | |
| 1064 ; residue 63 TRP rtp TRP q 0.0 | |
| 1065 960 opls_238 63 TRP N 337 -0.5 14.0067 | |
| 1066 961 opls_241 63 TRP H 337 0.3 1.008 | |
| 1067 962 opls_224B 63 TRP CA 337 0.14 12.011 | |
| 1068 963 opls_140 63 TRP HA 337 0.06 1.008 | |
| 1069 964 opls_136 63 TRP CB 338 -0.12 12.011 | |
| 1070 965 opls_140 63 TRP HB1 338 0.06 1.008 | |
| 1071 966 opls_140 63 TRP HB2 338 0.06 1.008 | |
| 1072 967 opls_500 63 TRP CG 339 0.075 12.011 | |
| 1073 968 opls_514 63 TRP CD1 340 -0.115 12.011 | |
| 1074 969 opls_146 63 TRP HD1 340 0.115 1.008 | |
| 1075 970 opls_501 63 TRP CD2 341 -0.055 12.011 | |
| 1076 971 opls_503 63 TRP NE1 342 -0.57 14.0067 | |
| 1077 972 opls_504 63 TRP HE1 342 0.42 1.008 | |
| 1078 973 opls_502 63 TRP CE2 342 0.13 12.011 | |
| 1079 974 opls_145 63 TRP CE3 343 -0.115 12.011 | |
| 1080 975 opls_146 63 TRP HE3 343 0.115 1.008 | |
| 1081 976 opls_145 63 TRP CZ2 344 -0.115 12.011 | |
| 1082 977 opls_146 63 TRP HZ2 344 0.115 1.008 | |
| 1083 978 opls_145 63 TRP CZ3 345 -0.115 12.011 | |
| 1084 979 opls_146 63 TRP HZ3 345 0.115 1.008 | |
| 1085 980 opls_145 63 TRP CH2 346 -0.115 12.011 | |
| 1086 981 opls_146 63 TRP HH2 346 0.115 1.008 | |
| 1087 982 opls_235 63 TRP C 347 0.5 12.011 | |
| 1088 983 opls_236 63 TRP O 347 -0.5 15.9994 ; qtot 4 | |
| 1089 ; residue 64 CYS rtp CYS2 q 0.0 | |
| 1090 984 opls_238 64 CYS N 348 -0.5 14.0067 | |
| 1091 985 opls_241 64 CYS H 348 0.3 1.008 | |
| 1092 986 opls_224B 64 CYS CA 348 0.14 12.011 | |
| 1093 987 opls_140 64 CYS HA 348 0.06 1.008 | |
| 1094 988 opls_214 64 CYS CB 349 0.0975 12.011 | |
| 1095 989 opls_140 64 CYS HB1 349 0.06 1.008 | |
| 1096 990 opls_140 64 CYS HB2 349 0.06 1.008 | |
| 1097 991 opls_203 64 CYS SG 349 -0.2175 32.06 | |
| 1098 992 opls_235 64 CYS C 350 0.5 12.011 | |
| 1099 993 opls_236 64 CYS O 350 -0.5 15.9994 ; qtot 4 | |
| 1100 ; residue 65 ASN rtp ASN q 0.0 | |
| 1101 994 opls_238 65 ASN N 351 -0.5 14.0067 | |
| 1102 995 opls_241 65 ASN H 351 0.3 1.008 | |
| 1103 996 opls_224B 65 ASN CA 352 0.14 12.011 | |
| 1104 997 opls_140 65 ASN HA 352 0.06 1.008 | |
| 1105 998 opls_136 65 ASN CB 353 -0.12 12.011 | |
| 1106 999 opls_140 65 ASN HB1 353 0.06 1.008 | |
| 1107 1000 opls_140 65 ASN HB2 353 0.06 1.008 | |
| 1108 1001 opls_235 65 ASN CG 354 0.5 12.011 | |
| 1109 1002 opls_236 65 ASN OD1 354 -0.5 15.9994 | |
| 1110 1003 opls_237 65 ASN ND2 355 -0.76 14.0067 | |
| 1111 1004 opls_240 65 ASN HD21 355 0.38 1.008 | |
| 1112 1005 opls_240 65 ASN HD22 355 0.38 1.008 | |
| 1113 1006 opls_235 65 ASN C 356 0.5 12.011 | |
| 1114 1007 opls_236 65 ASN O 356 -0.5 15.9994 ; qtot 4 | |
| 1115 ; residue 66 ASP rtp ASP q -1.0 | |
| 1116 1008 opls_238 66 ASP N 357 -0.5 14.0067 | |
| 1117 1009 opls_241 66 ASP H 357 0.3 1.008 | |
| 1118 1010 opls_224B 66 ASP CA 357 0.14 12.011 | |
| 1119 1011 opls_140 66 ASP HA 357 0.06 1.008 | |
| 1120 1012 opls_274 66 ASP CB 358 -0.22 12.011 | |
| 1121 1013 opls_140 66 ASP HB1 358 0.06 1.008 | |
| 1122 1014 opls_140 66 ASP HB2 358 0.06 1.008 | |
| 1123 1015 opls_271 66 ASP CG 359 0.7 12.011 | |
| 1124 1016 opls_272 66 ASP OD1 359 -0.8 15.9994 | |
| 1125 1017 opls_272 66 ASP OD2 359 -0.8 15.9994 | |
| 1126 1018 opls_235 66 ASP C 360 0.5 12.011 | |
| 1127 1019 opls_236 66 ASP O 360 -0.5 15.9994 ; qtot 3 | |
| 1128 ; residue 67 GLY rtp GLY q 0.0 | |
| 1129 1020 opls_238 67 GLY N 361 -0.5 14.0067 | |
| 1130 1021 opls_241 67 GLY H 361 0.3 1.008 | |
| 1131 1022 opls_223B 67 GLY CA 361 0.08 12.011 | |
| 1132 1023 opls_140 67 GLY HA1 361 0.06 1.008 | |
| 1133 1024 opls_140 67 GLY HA2 361 0.06 1.008 | |
| 1134 1025 opls_235 67 GLY C 362 0.5 12.011 | |
| 1135 1026 opls_236 67 GLY O 362 -0.5 15.9994 ; qtot 3 | |
| 1136 ; residue 68 ARG rtp ARG q +1.0 | |
| 1137 1027 opls_238 68 ARG N 363 -0.5 14.0067 | |
| 1138 1028 opls_241 68 ARG H 363 0.3 1.008 | |
| 1139 1029 opls_224B 68 ARG CA 363 0.14 12.011 | |
| 1140 1030 opls_140 68 ARG HA 363 0.06 1.008 | |
| 1141 1031 opls_136 68 ARG CB 364 -0.12 12.011 | |
| 1142 1032 opls_140 68 ARG HB1 364 0.06 1.008 | |
| 1143 1033 opls_140 68 ARG HB2 364 0.06 1.008 | |
| 1144 1034 opls_308 68 ARG CG 365 -0.05 12.011 | |
| 1145 1035 opls_140 68 ARG HG1 365 0.06 1.008 | |
| 1146 1036 opls_140 68 ARG HG2 365 0.06 1.008 | |
| 1147 1037 opls_307 68 ARG CD 366 0.19 12.011 | |
| 1148 1038 opls_140 68 ARG HD1 366 0.06 1.008 | |
| 1149 1039 opls_140 68 ARG HD2 366 0.06 1.008 | |
| 1150 1040 opls_303 68 ARG NE 367 -0.7 14.0067 | |
| 1151 1041 opls_304 68 ARG HE 367 0.44 1.008 | |
| 1152 1042 opls_302 68 ARG CZ 367 0.64 12.011 | |
| 1153 1043 opls_300 68 ARG NH1 368 -0.8 14.0067 | |
| 1154 1044 opls_301 68 ARG HH11 368 0.46 1.008 | |
| 1155 1045 opls_301 68 ARG HH12 368 0.46 1.008 | |
| 1156 1046 opls_300 68 ARG NH2 369 -0.8 14.0067 | |
| 1157 1047 opls_301 68 ARG HH21 369 0.46 1.008 | |
| 1158 1048 opls_301 68 ARG HH22 369 0.46 1.008 | |
| 1159 1049 opls_235 68 ARG C 370 0.5 12.011 | |
| 1160 1050 opls_236 68 ARG O 370 -0.5 15.9994 ; qtot 4 | |
| 1161 ; residue 69 THR rtp THR q 0.0 | |
| 1162 1051 opls_238 69 THR N 371 -0.5 14.0067 | |
| 1163 1052 opls_241 69 THR H 371 0.3 1.008 | |
| 1164 1053 opls_224B 69 THR CA 371 0.14 12.011 | |
| 1165 1054 opls_140 69 THR HA 371 0.06 1.008 | |
| 1166 1055 opls_158 69 THR CB 372 0.205 12.011 | |
| 1167 1056 opls_140 69 THR HB 372 0.06 1.008 | |
| 1168 1057 opls_154 69 THR OG1 372 -0.683 15.9994 | |
| 1169 1058 opls_155 69 THR HG1 372 0.418 1.008 | |
| 1170 1059 opls_135 69 THR CG2 373 -0.18 12.011 | |
| 1171 1060 opls_140 69 THR HG21 373 0.06 1.008 | |
| 1172 1061 opls_140 69 THR HG22 373 0.06 1.008 | |
| 1173 1062 opls_140 69 THR HG23 373 0.06 1.008 | |
| 1174 1063 opls_235 69 THR C 374 0.5 12.011 | |
| 1175 1064 opls_236 69 THR O 374 -0.5 15.9994 ; qtot 4 | |
| 1176 ; residue 70 PRO rtp PRO q 0.0 | |
| 1177 1065 opls_239 70 PRO N 375 -0.14 14.0067 | |
| 1178 1066 opls_246 70 PRO CA 375 0.01 12.011 | |
| 1179 1067 opls_140 70 PRO HA 375 0.06 1.008 | |
| 1180 1068 opls_136 70 PRO CB 376 -0.12 12.011 | |
| 1181 1069 opls_140 70 PRO HB1 376 0.06 1.008 | |
| 1182 1070 opls_140 70 PRO HB2 376 0.06 1.008 | |
| 1183 1071 opls_136 70 PRO CG 377 -0.12 12.011 | |
| 1184 1072 opls_140 70 PRO HG1 377 0.06 1.008 | |
| 1185 1073 opls_140 70 PRO HG2 377 0.06 1.008 | |
| 1186 1074 opls_245 70 PRO CD 378 -0.05 12.011 | |
| 1187 1075 opls_140 70 PRO HD1 378 0.06 1.008 | |
| 1188 1076 opls_140 70 PRO HD2 378 0.06 1.008 | |
| 1189 1077 opls_235 70 PRO C 379 0.5 12.011 | |
| 1190 1078 opls_236 70 PRO O 379 -0.5 15.9994 ; qtot 4 | |
| 1191 ; residue 71 GLY rtp GLY q 0.0 | |
| 1192 1079 opls_238 71 GLY N 380 -0.5 14.0067 | |
| 1193 1080 opls_241 71 GLY H 380 0.3 1.008 | |
| 1194 1081 opls_223B 71 GLY CA 380 0.08 12.011 | |
| 1195 1082 opls_140 71 GLY HA1 380 0.06 1.008 | |
| 1196 1083 opls_140 71 GLY HA2 380 0.06 1.008 | |
| 1197 1084 opls_235 71 GLY C 381 0.5 12.011 | |
| 1198 1085 opls_236 71 GLY O 381 -0.5 15.9994 ; qtot 4 | |
| 1199 ; residue 72 SER rtp SER q 0.0 | |
| 1200 1086 opls_238 72 SER N 382 -0.5 14.0067 | |
| 1201 1087 opls_241 72 SER H 382 0.3 1.008 | |
| 1202 1088 opls_224B 72 SER CA 382 0.14 12.011 | |
| 1203 1089 opls_140 72 SER HA 382 0.06 1.008 | |
| 1204 1090 opls_157 72 SER CB 383 0.145 12.011 | |
| 1205 1091 opls_140 72 SER HB1 383 0.06 1.008 | |
| 1206 1092 opls_140 72 SER HB2 383 0.06 1.008 | |
| 1207 1093 opls_154 72 SER OG 384 -0.683 15.9994 | |
| 1208 1094 opls_155 72 SER HG 384 0.418 1.008 | |
| 1209 1095 opls_235 72 SER C 385 0.5 12.011 | |
| 1210 1096 opls_236 72 SER O 385 -0.5 15.9994 ; qtot 4 | |
| 1211 ; residue 73 ARG rtp ARG q +1.0 | |
| 1212 1097 opls_238 73 ARG N 386 -0.5 14.0067 | |
| 1213 1098 opls_241 73 ARG H 386 0.3 1.008 | |
| 1214 1099 opls_224B 73 ARG CA 386 0.14 12.011 | |
| 1215 1100 opls_140 73 ARG HA 386 0.06 1.008 | |
| 1216 1101 opls_136 73 ARG CB 387 -0.12 12.011 | |
| 1217 1102 opls_140 73 ARG HB1 387 0.06 1.008 | |
| 1218 1103 opls_140 73 ARG HB2 387 0.06 1.008 | |
| 1219 1104 opls_308 73 ARG CG 388 -0.05 12.011 | |
| 1220 1105 opls_140 73 ARG HG1 388 0.06 1.008 | |
| 1221 1106 opls_140 73 ARG HG2 388 0.06 1.008 | |
| 1222 1107 opls_307 73 ARG CD 389 0.19 12.011 | |
| 1223 1108 opls_140 73 ARG HD1 389 0.06 1.008 | |
| 1224 1109 opls_140 73 ARG HD2 389 0.06 1.008 | |
| 1225 1110 opls_303 73 ARG NE 390 -0.7 14.0067 | |
| 1226 1111 opls_304 73 ARG HE 390 0.44 1.008 | |
| 1227 1112 opls_302 73 ARG CZ 390 0.64 12.011 | |
| 1228 1113 opls_300 73 ARG NH1 391 -0.8 14.0067 | |
| 1229 1114 opls_301 73 ARG HH11 391 0.46 1.008 | |
| 1230 1115 opls_301 73 ARG HH12 391 0.46 1.008 | |
| 1231 1116 opls_300 73 ARG NH2 392 -0.8 14.0067 | |
| 1232 1117 opls_301 73 ARG HH21 392 0.46 1.008 | |
| 1233 1118 opls_301 73 ARG HH22 392 0.46 1.008 | |
| 1234 1119 opls_235 73 ARG C 393 0.5 12.011 | |
| 1235 1120 opls_236 73 ARG O 393 -0.5 15.9994 ; qtot 5 | |
| 1236 ; residue 74 ASN rtp ASN q 0.0 | |
| 1237 1121 opls_238 74 ASN N 394 -0.5 14.0067 | |
| 1238 1122 opls_241 74 ASN H 394 0.3 1.008 | |
| 1239 1123 opls_224B 74 ASN CA 395 0.14 12.011 | |
| 1240 1124 opls_140 74 ASN HA 395 0.06 1.008 | |
| 1241 1125 opls_136 74 ASN CB 396 -0.12 12.011 | |
| 1242 1126 opls_140 74 ASN HB1 396 0.06 1.008 | |
| 1243 1127 opls_140 74 ASN HB2 396 0.06 1.008 | |
| 1244 1128 opls_235 74 ASN CG 397 0.5 12.011 | |
| 1245 1129 opls_236 74 ASN OD1 397 -0.5 15.9994 | |
| 1246 1130 opls_237 74 ASN ND2 398 -0.76 14.0067 | |
| 1247 1131 opls_240 74 ASN HD21 398 0.38 1.008 | |
| 1248 1132 opls_240 74 ASN HD22 398 0.38 1.008 | |
| 1249 1133 opls_235 74 ASN C 399 0.5 12.011 | |
| 1250 1134 opls_236 74 ASN O 399 -0.5 15.9994 ; qtot 5 | |
| 1251 ; residue 75 LEU rtp LEU q 0.0 | |
| 1252 1135 opls_238 75 LEU N 400 -0.5 14.0067 | |
| 1253 1136 opls_241 75 LEU H 400 0.3 1.008 | |
| 1254 1137 opls_224B 75 LEU CA 400 0.14 12.011 | |
| 1255 1138 opls_140 75 LEU HA 400 0.06 1.008 | |
| 1256 1139 opls_136 75 LEU CB 401 -0.12 12.011 | |
| 1257 1140 opls_140 75 LEU HB1 401 0.06 1.008 | |
| 1258 1141 opls_140 75 LEU HB2 401 0.06 1.008 | |
| 1259 1142 opls_137 75 LEU CG 402 -0.06 12.011 | |
| 1260 1143 opls_140 75 LEU HG 402 0.06 1.008 | |
| 1261 1144 opls_135 75 LEU CD1 403 -0.18 12.011 | |
| 1262 1145 opls_140 75 LEU HD11 403 0.06 1.008 | |
| 1263 1146 opls_140 75 LEU HD12 403 0.06 1.008 | |
| 1264 1147 opls_140 75 LEU HD13 403 0.06 1.008 | |
| 1265 1148 opls_135 75 LEU CD2 404 -0.18 12.011 | |
| 1266 1149 opls_140 75 LEU HD21 404 0.06 1.008 | |
| 1267 1150 opls_140 75 LEU HD22 404 0.06 1.008 | |
| 1268 1151 opls_140 75 LEU HD23 404 0.06 1.008 | |
| 1269 1152 opls_235 75 LEU C 405 0.5 12.011 | |
| 1270 1153 opls_236 75 LEU O 405 -0.5 15.9994 ; qtot 5 | |
| 1271 ; residue 76 CYS rtp CYS2 q 0.0 | |
| 1272 1154 opls_238 76 CYS N 406 -0.5 14.0067 | |
| 1273 1155 opls_241 76 CYS H 406 0.3 1.008 | |
| 1274 1156 opls_224B 76 CYS CA 406 0.14 12.011 | |
| 1275 1157 opls_140 76 CYS HA 406 0.06 1.008 | |
| 1276 1158 opls_214 76 CYS CB 407 0.0975 12.011 | |
| 1277 1159 opls_140 76 CYS HB1 407 0.06 1.008 | |
| 1278 1160 opls_140 76 CYS HB2 407 0.06 1.008 | |
| 1279 1161 opls_203 76 CYS SG 407 -0.2175 32.06 | |
| 1280 1162 opls_235 76 CYS C 408 0.5 12.011 | |
| 1281 1163 opls_236 76 CYS O 408 -0.5 15.9994 ; qtot 5 | |
| 1282 ; residue 77 ASN rtp ASN q 0.0 | |
| 1283 1164 opls_238 77 ASN N 409 -0.5 14.0067 | |
| 1284 1165 opls_241 77 ASN H 409 0.3 1.008 | |
| 1285 1166 opls_224B 77 ASN CA 410 0.14 12.011 | |
| 1286 1167 opls_140 77 ASN HA 410 0.06 1.008 | |
| 1287 1168 opls_136 77 ASN CB 411 -0.12 12.011 | |
| 1288 1169 opls_140 77 ASN HB1 411 0.06 1.008 | |
| 1289 1170 opls_140 77 ASN HB2 411 0.06 1.008 | |
| 1290 1171 opls_235 77 ASN CG 412 0.5 12.011 | |
| 1291 1172 opls_236 77 ASN OD1 412 -0.5 15.9994 | |
| 1292 1173 opls_237 77 ASN ND2 413 -0.76 14.0067 | |
| 1293 1174 opls_240 77 ASN HD21 413 0.38 1.008 | |
| 1294 1175 opls_240 77 ASN HD22 413 0.38 1.008 | |
| 1295 1176 opls_235 77 ASN C 414 0.5 12.011 | |
| 1296 1177 opls_236 77 ASN O 414 -0.5 15.9994 ; qtot 5 | |
| 1297 ; residue 78 ILE rtp ILE q 0.0 | |
| 1298 1178 opls_238 78 ILE N 415 -0.5 14.0067 | |
| 1299 1179 opls_241 78 ILE H 415 0.3 1.008 | |
| 1300 1180 opls_224B 78 ILE CA 415 0.14 12.011 | |
| 1301 1181 opls_140 78 ILE HA 415 0.06 1.008 | |
| 1302 1182 opls_137 78 ILE CB 416 -0.06 12.011 | |
| 1303 1183 opls_140 78 ILE HB 416 0.06 1.008 | |
| 1304 1184 opls_136 78 ILE CG1 417 -0.12 12.011 | |
| 1305 1185 opls_140 78 ILE HG11 417 0.06 1.008 | |
| 1306 1186 opls_140 78 ILE HG12 417 0.06 1.008 | |
| 1307 1187 opls_135 78 ILE CG2 418 -0.18 12.011 | |
| 1308 1188 opls_140 78 ILE HG21 418 0.06 1.008 | |
| 1309 1189 opls_140 78 ILE HG22 418 0.06 1.008 | |
| 1310 1190 opls_140 78 ILE HG23 418 0.06 1.008 | |
| 1311 1191 opls_135 78 ILE CD 419 -0.18 12.011 | |
| 1312 1192 opls_140 78 ILE HD1 419 0.06 1.008 | |
| 1313 1193 opls_140 78 ILE HD2 419 0.06 1.008 | |
| 1314 1194 opls_140 78 ILE HD3 419 0.06 1.008 | |
| 1315 1195 opls_235 78 ILE C 420 0.5 12.011 | |
| 1316 1196 opls_236 78 ILE O 420 -0.5 15.9994 ; qtot 5 | |
| 1317 ; residue 79 PRO rtp PRO q 0.0 | |
| 1318 1197 opls_239 79 PRO N 421 -0.14 14.0067 | |
| 1319 1198 opls_246 79 PRO CA 421 0.01 12.011 | |
| 1320 1199 opls_140 79 PRO HA 421 0.06 1.008 | |
| 1321 1200 opls_136 79 PRO CB 422 -0.12 12.011 | |
| 1322 1201 opls_140 79 PRO HB1 422 0.06 1.008 | |
| 1323 1202 opls_140 79 PRO HB2 422 0.06 1.008 | |
| 1324 1203 opls_136 79 PRO CG 423 -0.12 12.011 | |
| 1325 1204 opls_140 79 PRO HG1 423 0.06 1.008 | |
| 1326 1205 opls_140 79 PRO HG2 423 0.06 1.008 | |
| 1327 1206 opls_245 79 PRO CD 424 -0.05 12.011 | |
| 1328 1207 opls_140 79 PRO HD1 424 0.06 1.008 | |
| 1329 1208 opls_140 79 PRO HD2 424 0.06 1.008 | |
| 1330 1209 opls_235 79 PRO C 425 0.5 12.011 | |
| 1331 1210 opls_236 79 PRO O 425 -0.5 15.9994 ; qtot 5 | |
| 1332 ; residue 80 CYS rtp CYS2 q 0.0 | |
| 1333 1211 opls_238 80 CYS N 426 -0.5 14.0067 | |
| 1334 1212 opls_241 80 CYS H 426 0.3 1.008 | |
| 1335 1213 opls_224B 80 CYS CA 426 0.14 12.011 | |
| 1336 1214 opls_140 80 CYS HA 426 0.06 1.008 | |
| 1337 1215 opls_214 80 CYS CB 427 0.0975 12.011 | |
| 1338 1216 opls_140 80 CYS HB1 427 0.06 1.008 | |
| 1339 1217 opls_140 80 CYS HB2 427 0.06 1.008 | |
| 1340 1218 opls_203 80 CYS SG 427 -0.2175 32.06 | |
| 1341 1219 opls_235 80 CYS C 428 0.5 12.011 | |
| 1342 1220 opls_236 80 CYS O 428 -0.5 15.9994 ; qtot 5 | |
| 1343 ; residue 81 SER rtp SER q 0.0 | |
| 1344 1221 opls_238 81 SER N 429 -0.5 14.0067 | |
| 1345 1222 opls_241 81 SER H 429 0.3 1.008 | |
| 1346 1223 opls_224B 81 SER CA 429 0.14 12.011 | |
| 1347 1224 opls_140 81 SER HA 429 0.06 1.008 | |
| 1348 1225 opls_157 81 SER CB 430 0.145 12.011 | |
| 1349 1226 opls_140 81 SER HB1 430 0.06 1.008 | |
| 1350 1227 opls_140 81 SER HB2 430 0.06 1.008 | |
| 1351 1228 opls_154 81 SER OG 431 -0.683 15.9994 | |
| 1352 1229 opls_155 81 SER HG 431 0.418 1.008 | |
| 1353 1230 opls_235 81 SER C 432 0.5 12.011 | |
| 1354 1231 opls_236 81 SER O 432 -0.5 15.9994 ; qtot 5 | |
| 1355 ; residue 82 ALA rtp ALA q 0.0 | |
| 1356 1232 opls_238 82 ALA N 433 -0.5 14.0067 | |
| 1357 1233 opls_241 82 ALA H 433 0.3 1.008 | |
| 1358 1234 opls_224B 82 ALA CA 433 0.14 12.011 | |
| 1359 1235 opls_140 82 ALA HA 433 0.06 1.008 | |
| 1360 1236 opls_135 82 ALA CB 434 -0.18 12.011 | |
| 1361 1237 opls_140 82 ALA HB1 434 0.06 1.008 | |
| 1362 1238 opls_140 82 ALA HB2 434 0.06 1.008 | |
| 1363 1239 opls_140 82 ALA HB3 434 0.06 1.008 | |
| 1364 1240 opls_235 82 ALA C 435 0.5 12.011 | |
| 1365 1241 opls_236 82 ALA O 435 -0.5 15.9994 ; qtot 5 | |
| 1366 ; residue 83 LEU rtp LEU q 0.0 | |
| 1367 1242 opls_238 83 LEU N 436 -0.5 14.0067 | |
| 1368 1243 opls_241 83 LEU H 436 0.3 1.008 | |
| 1369 1244 opls_224B 83 LEU CA 436 0.14 12.011 | |
| 1370 1245 opls_140 83 LEU HA 436 0.06 1.008 | |
| 1371 1246 opls_136 83 LEU CB 437 -0.12 12.011 | |
| 1372 1247 opls_140 83 LEU HB1 437 0.06 1.008 | |
| 1373 1248 opls_140 83 LEU HB2 437 0.06 1.008 | |
| 1374 1249 opls_137 83 LEU CG 438 -0.06 12.011 | |
| 1375 1250 opls_140 83 LEU HG 438 0.06 1.008 | |
| 1376 1251 opls_135 83 LEU CD1 439 -0.18 12.011 | |
| 1377 1252 opls_140 83 LEU HD11 439 0.06 1.008 | |
| 1378 1253 opls_140 83 LEU HD12 439 0.06 1.008 | |
| 1379 1254 opls_140 83 LEU HD13 439 0.06 1.008 | |
| 1380 1255 opls_135 83 LEU CD2 440 -0.18 12.011 | |
| 1381 1256 opls_140 83 LEU HD21 440 0.06 1.008 | |
| 1382 1257 opls_140 83 LEU HD22 440 0.06 1.008 | |
| 1383 1258 opls_140 83 LEU HD23 440 0.06 1.008 | |
| 1384 1259 opls_235 83 LEU C 441 0.5 12.011 | |
| 1385 1260 opls_236 83 LEU O 441 -0.5 15.9994 ; qtot 5 | |
| 1386 ; residue 84 LEU rtp LEU q 0.0 | |
| 1387 1261 opls_238 84 LEU N 442 -0.5 14.0067 | |
| 1388 1262 opls_241 84 LEU H 442 0.3 1.008 | |
| 1389 1263 opls_224B 84 LEU CA 442 0.14 12.011 | |
| 1390 1264 opls_140 84 LEU HA 442 0.06 1.008 | |
| 1391 1265 opls_136 84 LEU CB 443 -0.12 12.011 | |
| 1392 1266 opls_140 84 LEU HB1 443 0.06 1.008 | |
| 1393 1267 opls_140 84 LEU HB2 443 0.06 1.008 | |
| 1394 1268 opls_137 84 LEU CG 444 -0.06 12.011 | |
| 1395 1269 opls_140 84 LEU HG 444 0.06 1.008 | |
| 1396 1270 opls_135 84 LEU CD1 445 -0.18 12.011 | |
| 1397 1271 opls_140 84 LEU HD11 445 0.06 1.008 | |
| 1398 1272 opls_140 84 LEU HD12 445 0.06 1.008 | |
| 1399 1273 opls_140 84 LEU HD13 445 0.06 1.008 | |
| 1400 1274 opls_135 84 LEU CD2 446 -0.18 12.011 | |
| 1401 1275 opls_140 84 LEU HD21 446 0.06 1.008 | |
| 1402 1276 opls_140 84 LEU HD22 446 0.06 1.008 | |
| 1403 1277 opls_140 84 LEU HD23 446 0.06 1.008 | |
| 1404 1278 opls_235 84 LEU C 447 0.5 12.011 | |
| 1405 1279 opls_236 84 LEU O 447 -0.5 15.9994 ; qtot 5 | |
| 1406 ; residue 85 SER rtp SER q 0.0 | |
| 1407 1280 opls_238 85 SER N 448 -0.5 14.0067 | |
| 1408 1281 opls_241 85 SER H 448 0.3 1.008 | |
| 1409 1282 opls_224B 85 SER CA 448 0.14 12.011 | |
| 1410 1283 opls_140 85 SER HA 448 0.06 1.008 | |
| 1411 1284 opls_157 85 SER CB 449 0.145 12.011 | |
| 1412 1285 opls_140 85 SER HB1 449 0.06 1.008 | |
| 1413 1286 opls_140 85 SER HB2 449 0.06 1.008 | |
| 1414 1287 opls_154 85 SER OG 450 -0.683 15.9994 | |
| 1415 1288 opls_155 85 SER HG 450 0.418 1.008 | |
| 1416 1289 opls_235 85 SER C 451 0.5 12.011 | |
| 1417 1290 opls_236 85 SER O 451 -0.5 15.9994 ; qtot 5 | |
| 1418 ; residue 86 SER rtp SER q 0.0 | |
| 1419 1291 opls_238 86 SER N 452 -0.5 14.0067 | |
| 1420 1292 opls_241 86 SER H 452 0.3 1.008 | |
| 1421 1293 opls_224B 86 SER CA 452 0.14 12.011 | |
| 1422 1294 opls_140 86 SER HA 452 0.06 1.008 | |
| 1423 1295 opls_157 86 SER CB 453 0.145 12.011 | |
| 1424 1296 opls_140 86 SER HB1 453 0.06 1.008 | |
| 1425 1297 opls_140 86 SER HB2 453 0.06 1.008 | |
| 1426 1298 opls_154 86 SER OG 454 -0.683 15.9994 | |
| 1427 1299 opls_155 86 SER HG 454 0.418 1.008 | |
| 1428 1300 opls_235 86 SER C 455 0.5 12.011 | |
| 1429 1301 opls_236 86 SER O 455 -0.5 15.9994 ; qtot 5 | |
| 1430 ; residue 87 ASP rtp ASP q -1.0 | |
| 1431 1302 opls_238 87 ASP N 456 -0.5 14.0067 | |
| 1432 1303 opls_241 87 ASP H 456 0.3 1.008 | |
| 1433 1304 opls_224B 87 ASP CA 456 0.14 12.011 | |
| 1434 1305 opls_140 87 ASP HA 456 0.06 1.008 | |
| 1435 1306 opls_274 87 ASP CB 457 -0.22 12.011 | |
| 1436 1307 opls_140 87 ASP HB1 457 0.06 1.008 | |
| 1437 1308 opls_140 87 ASP HB2 457 0.06 1.008 | |
| 1438 1309 opls_271 87 ASP CG 458 0.7 12.011 | |
| 1439 1310 opls_272 87 ASP OD1 458 -0.8 15.9994 | |
| 1440 1311 opls_272 87 ASP OD2 458 -0.8 15.9994 | |
| 1441 1312 opls_235 87 ASP C 459 0.5 12.011 | |
| 1442 1313 opls_236 87 ASP O 459 -0.5 15.9994 ; qtot 4 | |
| 1443 ; residue 88 ILE rtp ILE q 0.0 | |
| 1444 1314 opls_238 88 ILE N 460 -0.5 14.0067 | |
| 1445 1315 opls_241 88 ILE H 460 0.3 1.008 | |
| 1446 1316 opls_224B 88 ILE CA 460 0.14 12.011 | |
| 1447 1317 opls_140 88 ILE HA 460 0.06 1.008 | |
| 1448 1318 opls_137 88 ILE CB 461 -0.06 12.011 | |
| 1449 1319 opls_140 88 ILE HB 461 0.06 1.008 | |
| 1450 1320 opls_136 88 ILE CG1 462 -0.12 12.011 | |
| 1451 1321 opls_140 88 ILE HG11 462 0.06 1.008 | |
| 1452 1322 opls_140 88 ILE HG12 462 0.06 1.008 | |
| 1453 1323 opls_135 88 ILE CG2 463 -0.18 12.011 | |
| 1454 1324 opls_140 88 ILE HG21 463 0.06 1.008 | |
| 1455 1325 opls_140 88 ILE HG22 463 0.06 1.008 | |
| 1456 1326 opls_140 88 ILE HG23 463 0.06 1.008 | |
| 1457 1327 opls_135 88 ILE CD 464 -0.18 12.011 | |
| 1458 1328 opls_140 88 ILE HD1 464 0.06 1.008 | |
| 1459 1329 opls_140 88 ILE HD2 464 0.06 1.008 | |
| 1460 1330 opls_140 88 ILE HD3 464 0.06 1.008 | |
| 1461 1331 opls_235 88 ILE C 465 0.5 12.011 | |
| 1462 1332 opls_236 88 ILE O 465 -0.5 15.9994 ; qtot 4 | |
| 1463 ; residue 89 THR rtp THR q 0.0 | |
| 1464 1333 opls_238 89 THR N 466 -0.5 14.0067 | |
| 1465 1334 opls_241 89 THR H 466 0.3 1.008 | |
| 1466 1335 opls_224B 89 THR CA 466 0.14 12.011 | |
| 1467 1336 opls_140 89 THR HA 466 0.06 1.008 | |
| 1468 1337 opls_158 89 THR CB 467 0.205 12.011 | |
| 1469 1338 opls_140 89 THR HB 467 0.06 1.008 | |
| 1470 1339 opls_154 89 THR OG1 467 -0.683 15.9994 | |
| 1471 1340 opls_155 89 THR HG1 467 0.418 1.008 | |
| 1472 1341 opls_135 89 THR CG2 468 -0.18 12.011 | |
| 1473 1342 opls_140 89 THR HG21 468 0.06 1.008 | |
| 1474 1343 opls_140 89 THR HG22 468 0.06 1.008 | |
| 1475 1344 opls_140 89 THR HG23 468 0.06 1.008 | |
| 1476 1345 opls_235 89 THR C 469 0.5 12.011 | |
| 1477 1346 opls_236 89 THR O 469 -0.5 15.9994 ; qtot 4 | |
| 1478 ; residue 90 ALA rtp ALA q 0.0 | |
| 1479 1347 opls_238 90 ALA N 470 -0.5 14.0067 | |
| 1480 1348 opls_241 90 ALA H 470 0.3 1.008 | |
| 1481 1349 opls_224B 90 ALA CA 470 0.14 12.011 | |
| 1482 1350 opls_140 90 ALA HA 470 0.06 1.008 | |
| 1483 1351 opls_135 90 ALA CB 471 -0.18 12.011 | |
| 1484 1352 opls_140 90 ALA HB1 471 0.06 1.008 | |
| 1485 1353 opls_140 90 ALA HB2 471 0.06 1.008 | |
| 1486 1354 opls_140 90 ALA HB3 471 0.06 1.008 | |
| 1487 1355 opls_235 90 ALA C 472 0.5 12.011 | |
| 1488 1356 opls_236 90 ALA O 472 -0.5 15.9994 ; qtot 4 | |
| 1489 ; residue 91 SER rtp SER q 0.0 | |
| 1490 1357 opls_238 91 SER N 473 -0.5 14.0067 | |
| 1491 1358 opls_241 91 SER H 473 0.3 1.008 | |
| 1492 1359 opls_224B 91 SER CA 473 0.14 12.011 | |
| 1493 1360 opls_140 91 SER HA 473 0.06 1.008 | |
| 1494 1361 opls_157 91 SER CB 474 0.145 12.011 | |
| 1495 1362 opls_140 91 SER HB1 474 0.06 1.008 | |
| 1496 1363 opls_140 91 SER HB2 474 0.06 1.008 | |
| 1497 1364 opls_154 91 SER OG 475 -0.683 15.9994 | |
| 1498 1365 opls_155 91 SER HG 475 0.418 1.008 | |
| 1499 1366 opls_235 91 SER C 476 0.5 12.011 | |
| 1500 1367 opls_236 91 SER O 476 -0.5 15.9994 ; qtot 4 | |
| 1501 ; residue 92 VAL rtp VAL q 0.0 | |
| 1502 1368 opls_238 92 VAL N 477 -0.5 14.0067 | |
| 1503 1369 opls_241 92 VAL H 477 0.3 1.008 | |
| 1504 1370 opls_224B 92 VAL CA 477 0.14 12.011 | |
| 1505 1371 opls_140 92 VAL HA 477 0.06 1.008 | |
| 1506 1372 opls_137 92 VAL CB 478 -0.06 12.011 | |
| 1507 1373 opls_140 92 VAL HB 478 0.06 1.008 | |
| 1508 1374 opls_135 92 VAL CG1 479 -0.18 12.011 | |
| 1509 1375 opls_140 92 VAL HG11 479 0.06 1.008 | |
| 1510 1376 opls_140 92 VAL HG12 479 0.06 1.008 | |
| 1511 1377 opls_140 92 VAL HG13 479 0.06 1.008 | |
| 1512 1378 opls_135 92 VAL CG2 480 -0.18 12.011 | |
| 1513 1379 opls_140 92 VAL HG21 480 0.06 1.008 | |
| 1514 1380 opls_140 92 VAL HG22 480 0.06 1.008 | |
| 1515 1381 opls_140 92 VAL HG23 480 0.06 1.008 | |
| 1516 1382 opls_235 92 VAL C 481 0.5 12.011 | |
| 1517 1383 opls_236 92 VAL O 481 -0.5 15.9994 ; qtot 4 | |
| 1518 ; residue 93 ASN rtp ASN q 0.0 | |
| 1519 1384 opls_238 93 ASN N 482 -0.5 14.0067 | |
| 1520 1385 opls_241 93 ASN H 482 0.3 1.008 | |
| 1521 1386 opls_224B 93 ASN CA 483 0.14 12.011 | |
| 1522 1387 opls_140 93 ASN HA 483 0.06 1.008 | |
| 1523 1388 opls_136 93 ASN CB 484 -0.12 12.011 | |
| 1524 1389 opls_140 93 ASN HB1 484 0.06 1.008 | |
| 1525 1390 opls_140 93 ASN HB2 484 0.06 1.008 | |
| 1526 1391 opls_235 93 ASN CG 485 0.5 12.011 | |
| 1527 1392 opls_236 93 ASN OD1 485 -0.5 15.9994 | |
| 1528 1393 opls_237 93 ASN ND2 486 -0.76 14.0067 | |
| 1529 1394 opls_240 93 ASN HD21 486 0.38 1.008 | |
| 1530 1395 opls_240 93 ASN HD22 486 0.38 1.008 | |
| 1531 1396 opls_235 93 ASN C 487 0.5 12.011 | |
| 1532 1397 opls_236 93 ASN O 487 -0.5 15.9994 ; qtot 4 | |
| 1533 ; residue 94 CYS rtp CYS2 q 0.0 | |
| 1534 1398 opls_238 94 CYS N 488 -0.5 14.0067 | |
| 1535 1399 opls_241 94 CYS H 488 0.3 1.008 | |
| 1536 1400 opls_224B 94 CYS CA 488 0.14 12.011 | |
| 1537 1401 opls_140 94 CYS HA 488 0.06 1.008 | |
| 1538 1402 opls_214 94 CYS CB 489 0.0975 12.011 | |
| 1539 1403 opls_140 94 CYS HB1 489 0.06 1.008 | |
| 1540 1404 opls_140 94 CYS HB2 489 0.06 1.008 | |
| 1541 1405 opls_203 94 CYS SG 489 -0.2175 32.06 | |
| 1542 1406 opls_235 94 CYS C 490 0.5 12.011 | |
| 1543 1407 opls_236 94 CYS O 490 -0.5 15.9994 ; qtot 4 | |
| 1544 ; residue 95 ALA rtp ALA q 0.0 | |
| 1545 1408 opls_238 95 ALA N 491 -0.5 14.0067 | |
| 1546 1409 opls_241 95 ALA H 491 0.3 1.008 | |
| 1547 1410 opls_224B 95 ALA CA 491 0.14 12.011 | |
| 1548 1411 opls_140 95 ALA HA 491 0.06 1.008 | |
| 1549 1412 opls_135 95 ALA CB 492 -0.18 12.011 | |
| 1550 1413 opls_140 95 ALA HB1 492 0.06 1.008 | |
| 1551 1414 opls_140 95 ALA HB2 492 0.06 1.008 | |
| 1552 1415 opls_140 95 ALA HB3 492 0.06 1.008 | |
| 1553 1416 opls_235 95 ALA C 493 0.5 12.011 | |
| 1554 1417 opls_236 95 ALA O 493 -0.5 15.9994 ; qtot 4 | |
| 1555 ; residue 96 LYS rtp LYSH q +1.0 | |
| 1556 1418 opls_238 96 LYS N 494 -0.5 14.0067 | |
| 1557 1419 opls_241 96 LYS H 494 0.3 1.008 | |
| 1558 1420 opls_224B 96 LYS CA 494 0.14 12.011 | |
| 1559 1421 opls_140 96 LYS HA 494 0.06 1.008 | |
| 1560 1422 opls_136 96 LYS CB 495 -0.12 12.011 | |
| 1561 1423 opls_140 96 LYS HB1 495 0.06 1.008 | |
| 1562 1424 opls_140 96 LYS HB2 495 0.06 1.008 | |
| 1563 1425 opls_136 96 LYS CG 496 -0.12 12.011 | |
| 1564 1426 opls_140 96 LYS HG1 496 0.06 1.008 | |
| 1565 1427 opls_140 96 LYS HG2 496 0.06 1.008 | |
| 1566 1428 opls_136 96 LYS CD 497 -0.12 12.011 | |
| 1567 1429 opls_140 96 LYS HD1 497 0.06 1.008 | |
| 1568 1430 opls_140 96 LYS HD2 497 0.06 1.008 | |
| 1569 1431 opls_292 96 LYS CE 498 0.19 12.011 | |
| 1570 1432 opls_140 96 LYS HE1 498 0.06 1.008 | |
| 1571 1433 opls_140 96 LYS HE2 498 0.06 1.008 | |
| 1572 1434 opls_287 96 LYS NZ 499 -0.3 14.0067 | |
| 1573 1435 opls_290 96 LYS HZ1 499 0.33 1.008 | |
| 1574 1436 opls_290 96 LYS HZ2 499 0.33 1.008 | |
| 1575 1437 opls_290 96 LYS HZ3 499 0.33 1.008 | |
| 1576 1438 opls_235 96 LYS C 500 0.5 12.011 | |
| 1577 1439 opls_236 96 LYS O 500 -0.5 15.9994 ; qtot 5 | |
| 1578 ; residue 97 LYS rtp LYSH q +1.0 | |
| 1579 1440 opls_238 97 LYS N 501 -0.5 14.0067 | |
| 1580 1441 opls_241 97 LYS H 501 0.3 1.008 | |
| 1581 1442 opls_224B 97 LYS CA 501 0.14 12.011 | |
| 1582 1443 opls_140 97 LYS HA 501 0.06 1.008 | |
| 1583 1444 opls_136 97 LYS CB 502 -0.12 12.011 | |
| 1584 1445 opls_140 97 LYS HB1 502 0.06 1.008 | |
| 1585 1446 opls_140 97 LYS HB2 502 0.06 1.008 | |
| 1586 1447 opls_136 97 LYS CG 503 -0.12 12.011 | |
| 1587 1448 opls_140 97 LYS HG1 503 0.06 1.008 | |
| 1588 1449 opls_140 97 LYS HG2 503 0.06 1.008 | |
| 1589 1450 opls_136 97 LYS CD 504 -0.12 12.011 | |
| 1590 1451 opls_140 97 LYS HD1 504 0.06 1.008 | |
| 1591 1452 opls_140 97 LYS HD2 504 0.06 1.008 | |
| 1592 1453 opls_292 97 LYS CE 505 0.19 12.011 | |
| 1593 1454 opls_140 97 LYS HE1 505 0.06 1.008 | |
| 1594 1455 opls_140 97 LYS HE2 505 0.06 1.008 | |
| 1595 1456 opls_287 97 LYS NZ 506 -0.3 14.0067 | |
| 1596 1457 opls_290 97 LYS HZ1 506 0.33 1.008 | |
| 1597 1458 opls_290 97 LYS HZ2 506 0.33 1.008 | |
| 1598 1459 opls_290 97 LYS HZ3 506 0.33 1.008 | |
| 1599 1460 opls_235 97 LYS C 507 0.5 12.011 | |
| 1600 1461 opls_236 97 LYS O 507 -0.5 15.9994 ; qtot 6 | |
| 1601 ; residue 98 ILE rtp ILE q 0.0 | |
| 1602 1462 opls_238 98 ILE N 508 -0.5 14.0067 | |
| 1603 1463 opls_241 98 ILE H 508 0.3 1.008 | |
| 1604 1464 opls_224B 98 ILE CA 508 0.14 12.011 | |
| 1605 1465 opls_140 98 ILE HA 508 0.06 1.008 | |
| 1606 1466 opls_137 98 ILE CB 509 -0.06 12.011 | |
| 1607 1467 opls_140 98 ILE HB 509 0.06 1.008 | |
| 1608 1468 opls_136 98 ILE CG1 510 -0.12 12.011 | |
| 1609 1469 opls_140 98 ILE HG11 510 0.06 1.008 | |
| 1610 1470 opls_140 98 ILE HG12 510 0.06 1.008 | |
| 1611 1471 opls_135 98 ILE CG2 511 -0.18 12.011 | |
| 1612 1472 opls_140 98 ILE HG21 511 0.06 1.008 | |
| 1613 1473 opls_140 98 ILE HG22 511 0.06 1.008 | |
| 1614 1474 opls_140 98 ILE HG23 511 0.06 1.008 | |
| 1615 1475 opls_135 98 ILE CD 512 -0.18 12.011 | |
| 1616 1476 opls_140 98 ILE HD1 512 0.06 1.008 | |
| 1617 1477 opls_140 98 ILE HD2 512 0.06 1.008 | |
| 1618 1478 opls_140 98 ILE HD3 512 0.06 1.008 | |
| 1619 1479 opls_235 98 ILE C 513 0.5 12.011 | |
| 1620 1480 opls_236 98 ILE O 513 -0.5 15.9994 ; qtot 6 | |
| 1621 ; residue 99 VAL rtp VAL q 0.0 | |
| 1622 1481 opls_238 99 VAL N 514 -0.5 14.0067 | |
| 1623 1482 opls_241 99 VAL H 514 0.3 1.008 | |
| 1624 1483 opls_224B 99 VAL CA 514 0.14 12.011 | |
| 1625 1484 opls_140 99 VAL HA 514 0.06 1.008 | |
| 1626 1485 opls_137 99 VAL CB 515 -0.06 12.011 | |
| 1627 1486 opls_140 99 VAL HB 515 0.06 1.008 | |
| 1628 1487 opls_135 99 VAL CG1 516 -0.18 12.011 | |
| 1629 1488 opls_140 99 VAL HG11 516 0.06 1.008 | |
| 1630 1489 opls_140 99 VAL HG12 516 0.06 1.008 | |
| 1631 1490 opls_140 99 VAL HG13 516 0.06 1.008 | |
| 1632 1491 opls_135 99 VAL CG2 517 -0.18 12.011 | |
| 1633 1492 opls_140 99 VAL HG21 517 0.06 1.008 | |
| 1634 1493 opls_140 99 VAL HG22 517 0.06 1.008 | |
| 1635 1494 opls_140 99 VAL HG23 517 0.06 1.008 | |
| 1636 1495 opls_235 99 VAL C 518 0.5 12.011 | |
| 1637 1496 opls_236 99 VAL O 518 -0.5 15.9994 ; qtot 6 | |
| 1638 ; residue 100 SER rtp SER q 0.0 | |
| 1639 1497 opls_238 100 SER N 519 -0.5 14.0067 | |
| 1640 1498 opls_241 100 SER H 519 0.3 1.008 | |
| 1641 1499 opls_224B 100 SER CA 519 0.14 12.011 | |
| 1642 1500 opls_140 100 SER HA 519 0.06 1.008 | |
| 1643 1501 opls_157 100 SER CB 520 0.145 12.011 | |
| 1644 1502 opls_140 100 SER HB1 520 0.06 1.008 | |
| 1645 1503 opls_140 100 SER HB2 520 0.06 1.008 | |
| 1646 1504 opls_154 100 SER OG 521 -0.683 15.9994 | |
| 1647 1505 opls_155 100 SER HG 521 0.418 1.008 | |
| 1648 1506 opls_235 100 SER C 522 0.5 12.011 | |
| 1649 1507 opls_236 100 SER O 522 -0.5 15.9994 ; qtot 6 | |
| 1650 ; residue 101 ASP rtp ASP q -1.0 | |
| 1651 1508 opls_238 101 ASP N 523 -0.5 14.0067 | |
| 1652 1509 opls_241 101 ASP H 523 0.3 1.008 | |
| 1653 1510 opls_224B 101 ASP CA 523 0.14 12.011 | |
| 1654 1511 opls_140 101 ASP HA 523 0.06 1.008 | |
| 1655 1512 opls_274 101 ASP CB 524 -0.22 12.011 | |
| 1656 1513 opls_140 101 ASP HB1 524 0.06 1.008 | |
| 1657 1514 opls_140 101 ASP HB2 524 0.06 1.008 | |
| 1658 1515 opls_271 101 ASP CG 525 0.7 12.011 | |
| 1659 1516 opls_272 101 ASP OD1 525 -0.8 15.9994 | |
| 1660 1517 opls_272 101 ASP OD2 525 -0.8 15.9994 | |
| 1661 1518 opls_235 101 ASP C 526 0.5 12.011 | |
| 1662 1519 opls_236 101 ASP O 526 -0.5 15.9994 ; qtot 5 | |
| 1663 ; residue 102 GLY rtp GLY q 0.0 | |
| 1664 1520 opls_238 102 GLY N 527 -0.5 14.0067 | |
| 1665 1521 opls_241 102 GLY H 527 0.3 1.008 | |
| 1666 1522 opls_223B 102 GLY CA 527 0.08 12.011 | |
| 1667 1523 opls_140 102 GLY HA1 527 0.06 1.008 | |
| 1668 1524 opls_140 102 GLY HA2 527 0.06 1.008 | |
| 1669 1525 opls_235 102 GLY C 528 0.5 12.011 | |
| 1670 1526 opls_236 102 GLY O 528 -0.5 15.9994 ; qtot 5 | |
| 1671 ; residue 103 ASN rtp ASN q 0.0 | |
| 1672 1527 opls_238 103 ASN N 529 -0.5 14.0067 | |
| 1673 1528 opls_241 103 ASN H 529 0.3 1.008 | |
| 1674 1529 opls_224B 103 ASN CA 530 0.14 12.011 | |
| 1675 1530 opls_140 103 ASN HA 530 0.06 1.008 | |
| 1676 1531 opls_136 103 ASN CB 531 -0.12 12.011 | |
| 1677 1532 opls_140 103 ASN HB1 531 0.06 1.008 | |
| 1678 1533 opls_140 103 ASN HB2 531 0.06 1.008 | |
| 1679 1534 opls_235 103 ASN CG 532 0.5 12.011 | |
| 1680 1535 opls_236 103 ASN OD1 532 -0.5 15.9994 | |
| 1681 1536 opls_237 103 ASN ND2 533 -0.76 14.0067 | |
| 1682 1537 opls_240 103 ASN HD21 533 0.38 1.008 | |
| 1683 1538 opls_240 103 ASN HD22 533 0.38 1.008 | |
| 1684 1539 opls_235 103 ASN C 534 0.5 12.011 | |
| 1685 1540 opls_236 103 ASN O 534 -0.5 15.9994 ; qtot 5 | |
| 1686 ; residue 104 GLY rtp GLY q 0.0 | |
| 1687 1541 opls_238 104 GLY N 535 -0.5 14.0067 | |
| 1688 1542 opls_241 104 GLY H 535 0.3 1.008 | |
| 1689 1543 opls_223B 104 GLY CA 535 0.08 12.011 | |
| 1690 1544 opls_140 104 GLY HA1 535 0.06 1.008 | |
| 1691 1545 opls_140 104 GLY HA2 535 0.06 1.008 | |
| 1692 1546 opls_235 104 GLY C 536 0.5 12.011 | |
| 1693 1547 opls_236 104 GLY O 536 -0.5 15.9994 ; qtot 5 | |
| 1694 ; residue 105 MET rtp MET q 0.0 | |
| 1695 1548 opls_238 105 MET N 537 -0.5 14.0067 | |
| 1696 1549 opls_241 105 MET H 537 0.3 1.008 | |
| 1697 1550 opls_224B 105 MET CA 537 0.14 12.011 | |
| 1698 1551 opls_140 105 MET HA 537 0.06 1.008 | |
| 1699 1552 opls_136 105 MET CB 538 -0.12 12.011 | |
| 1700 1553 opls_140 105 MET HB1 538 0.06 1.008 | |
| 1701 1554 opls_140 105 MET HB2 538 0.06 1.008 | |
| 1702 1555 opls_210 105 MET CG 539 0.048 12.011 | |
| 1703 1556 opls_140 105 MET HG1 539 0.06 1.008 | |
| 1704 1557 opls_140 105 MET HG2 539 0.06 1.008 | |
| 1705 1558 opls_202 105 MET SD 540 -0.335 32.06 | |
| 1706 1559 opls_209 105 MET CE 541 -0.013 12.011 | |
| 1707 1560 opls_140 105 MET HE1 541 0.06 1.008 | |
| 1708 1561 opls_140 105 MET HE2 541 0.06 1.008 | |
| 1709 1562 opls_140 105 MET HE3 541 0.06 1.008 | |
| 1710 1563 opls_235 105 MET C 542 0.5 12.011 | |
| 1711 1564 opls_236 105 MET O 542 -0.5 15.9994 ; qtot 5 | |
| 1712 ; residue 106 ASN rtp ASN q 0.0 | |
| 1713 1565 opls_238 106 ASN N 543 -0.5 14.0067 | |
| 1714 1566 opls_241 106 ASN H 543 0.3 1.008 | |
| 1715 1567 opls_224B 106 ASN CA 544 0.14 12.011 | |
| 1716 1568 opls_140 106 ASN HA 544 0.06 1.008 | |
| 1717 1569 opls_136 106 ASN CB 545 -0.12 12.011 | |
| 1718 1570 opls_140 106 ASN HB1 545 0.06 1.008 | |
| 1719 1571 opls_140 106 ASN HB2 545 0.06 1.008 | |
| 1720 1572 opls_235 106 ASN CG 546 0.5 12.011 | |
| 1721 1573 opls_236 106 ASN OD1 546 -0.5 15.9994 | |
| 1722 1574 opls_237 106 ASN ND2 547 -0.76 14.0067 | |
| 1723 1575 opls_240 106 ASN HD21 547 0.38 1.008 | |
| 1724 1576 opls_240 106 ASN HD22 547 0.38 1.008 | |
| 1725 1577 opls_235 106 ASN C 548 0.5 12.011 | |
| 1726 1578 opls_236 106 ASN O 548 -0.5 15.9994 ; qtot 5 | |
| 1727 ; residue 107 ALA rtp ALA q 0.0 | |
| 1728 1579 opls_238 107 ALA N 549 -0.5 14.0067 | |
| 1729 1580 opls_241 107 ALA H 549 0.3 1.008 | |
| 1730 1581 opls_224B 107 ALA CA 549 0.14 12.011 | |
| 1731 1582 opls_140 107 ALA HA 549 0.06 1.008 | |
| 1732 1583 opls_135 107 ALA CB 550 -0.18 12.011 | |
| 1733 1584 opls_140 107 ALA HB1 550 0.06 1.008 | |
| 1734 1585 opls_140 107 ALA HB2 550 0.06 1.008 | |
| 1735 1586 opls_140 107 ALA HB3 550 0.06 1.008 | |
| 1736 1587 opls_235 107 ALA C 551 0.5 12.011 | |
| 1737 1588 opls_236 107 ALA O 551 -0.5 15.9994 ; qtot 5 | |
| 1738 ; residue 108 TRP rtp TRP q 0.0 | |
| 1739 1589 opls_238 108 TRP N 552 -0.5 14.0067 | |
| 1740 1590 opls_241 108 TRP H 552 0.3 1.008 | |
| 1741 1591 opls_224B 108 TRP CA 552 0.14 12.011 | |
| 1742 1592 opls_140 108 TRP HA 552 0.06 1.008 | |
| 1743 1593 opls_136 108 TRP CB 553 -0.12 12.011 | |
| 1744 1594 opls_140 108 TRP HB1 553 0.06 1.008 | |
| 1745 1595 opls_140 108 TRP HB2 553 0.06 1.008 | |
| 1746 1596 opls_500 108 TRP CG 554 0.075 12.011 | |
| 1747 1597 opls_514 108 TRP CD1 555 -0.115 12.011 | |
| 1748 1598 opls_146 108 TRP HD1 555 0.115 1.008 | |
| 1749 1599 opls_501 108 TRP CD2 556 -0.055 12.011 | |
| 1750 1600 opls_503 108 TRP NE1 557 -0.57 14.0067 | |
| 1751 1601 opls_504 108 TRP HE1 557 0.42 1.008 | |
| 1752 1602 opls_502 108 TRP CE2 557 0.13 12.011 | |
| 1753 1603 opls_145 108 TRP CE3 558 -0.115 12.011 | |
| 1754 1604 opls_146 108 TRP HE3 558 0.115 1.008 | |
| 1755 1605 opls_145 108 TRP CZ2 559 -0.115 12.011 | |
| 1756 1606 opls_146 108 TRP HZ2 559 0.115 1.008 | |
| 1757 1607 opls_145 108 TRP CZ3 560 -0.115 12.011 | |
| 1758 1608 opls_146 108 TRP HZ3 560 0.115 1.008 | |
| 1759 1609 opls_145 108 TRP CH2 561 -0.115 12.011 | |
| 1760 1610 opls_146 108 TRP HH2 561 0.115 1.008 | |
| 1761 1611 opls_235 108 TRP C 562 0.5 12.011 | |
| 1762 1612 opls_236 108 TRP O 562 -0.5 15.9994 ; qtot 5 | |
| 1763 ; residue 109 VAL rtp VAL q 0.0 | |
| 1764 1613 opls_238 109 VAL N 563 -0.5 14.0067 | |
| 1765 1614 opls_241 109 VAL H 563 0.3 1.008 | |
| 1766 1615 opls_224B 109 VAL CA 563 0.14 12.011 | |
| 1767 1616 opls_140 109 VAL HA 563 0.06 1.008 | |
| 1768 1617 opls_137 109 VAL CB 564 -0.06 12.011 | |
| 1769 1618 opls_140 109 VAL HB 564 0.06 1.008 | |
| 1770 1619 opls_135 109 VAL CG1 565 -0.18 12.011 | |
| 1771 1620 opls_140 109 VAL HG11 565 0.06 1.008 | |
| 1772 1621 opls_140 109 VAL HG12 565 0.06 1.008 | |
| 1773 1622 opls_140 109 VAL HG13 565 0.06 1.008 | |
| 1774 1623 opls_135 109 VAL CG2 566 -0.18 12.011 | |
| 1775 1624 opls_140 109 VAL HG21 566 0.06 1.008 | |
| 1776 1625 opls_140 109 VAL HG22 566 0.06 1.008 | |
| 1777 1626 opls_140 109 VAL HG23 566 0.06 1.008 | |
| 1778 1627 opls_235 109 VAL C 567 0.5 12.011 | |
| 1779 1628 opls_236 109 VAL O 567 -0.5 15.9994 ; qtot 5 | |
| 1780 ; residue 110 ALA rtp ALA q 0.0 | |
| 1781 1629 opls_238 110 ALA N 568 -0.5 14.0067 | |
| 1782 1630 opls_241 110 ALA H 568 0.3 1.008 | |
| 1783 1631 opls_224B 110 ALA CA 568 0.14 12.011 | |
| 1784 1632 opls_140 110 ALA HA 568 0.06 1.008 | |
| 1785 1633 opls_135 110 ALA CB 569 -0.18 12.011 | |
| 1786 1634 opls_140 110 ALA HB1 569 0.06 1.008 | |
| 1787 1635 opls_140 110 ALA HB2 569 0.06 1.008 | |
| 1788 1636 opls_140 110 ALA HB3 569 0.06 1.008 | |
| 1789 1637 opls_235 110 ALA C 570 0.5 12.011 | |
| 1790 1638 opls_236 110 ALA O 570 -0.5 15.9994 ; qtot 5 | |
| 1791 ; residue 111 TRP rtp TRP q 0.0 | |
| 1792 1639 opls_238 111 TRP N 571 -0.5 14.0067 | |
| 1793 1640 opls_241 111 TRP H 571 0.3 1.008 | |
| 1794 1641 opls_224B 111 TRP CA 571 0.14 12.011 | |
| 1795 1642 opls_140 111 TRP HA 571 0.06 1.008 | |
| 1796 1643 opls_136 111 TRP CB 572 -0.12 12.011 | |
| 1797 1644 opls_140 111 TRP HB1 572 0.06 1.008 | |
| 1798 1645 opls_140 111 TRP HB2 572 0.06 1.008 | |
| 1799 1646 opls_500 111 TRP CG 573 0.075 12.011 | |
| 1800 1647 opls_514 111 TRP CD1 574 -0.115 12.011 | |
| 1801 1648 opls_146 111 TRP HD1 574 0.115 1.008 | |
| 1802 1649 opls_501 111 TRP CD2 575 -0.055 12.011 | |
| 1803 1650 opls_503 111 TRP NE1 576 -0.57 14.0067 | |
| 1804 1651 opls_504 111 TRP HE1 576 0.42 1.008 | |
| 1805 1652 opls_502 111 TRP CE2 576 0.13 12.011 | |
| 1806 1653 opls_145 111 TRP CE3 577 -0.115 12.011 | |
| 1807 1654 opls_146 111 TRP HE3 577 0.115 1.008 | |
| 1808 1655 opls_145 111 TRP CZ2 578 -0.115 12.011 | |
| 1809 1656 opls_146 111 TRP HZ2 578 0.115 1.008 | |
| 1810 1657 opls_145 111 TRP CZ3 579 -0.115 12.011 | |
| 1811 1658 opls_146 111 TRP HZ3 579 0.115 1.008 | |
| 1812 1659 opls_145 111 TRP CH2 580 -0.115 12.011 | |
| 1813 1660 opls_146 111 TRP HH2 580 0.115 1.008 | |
| 1814 1661 opls_235 111 TRP C 581 0.5 12.011 | |
| 1815 1662 opls_236 111 TRP O 581 -0.5 15.9994 ; qtot 5 | |
| 1816 ; residue 112 ARG rtp ARG q +1.0 | |
| 1817 1663 opls_238 112 ARG N 582 -0.5 14.0067 | |
| 1818 1664 opls_241 112 ARG H 582 0.3 1.008 | |
| 1819 1665 opls_224B 112 ARG CA 582 0.14 12.011 | |
| 1820 1666 opls_140 112 ARG HA 582 0.06 1.008 | |
| 1821 1667 opls_136 112 ARG CB 583 -0.12 12.011 | |
| 1822 1668 opls_140 112 ARG HB1 583 0.06 1.008 | |
| 1823 1669 opls_140 112 ARG HB2 583 0.06 1.008 | |
| 1824 1670 opls_308 112 ARG CG 584 -0.05 12.011 | |
| 1825 1671 opls_140 112 ARG HG1 584 0.06 1.008 | |
| 1826 1672 opls_140 112 ARG HG2 584 0.06 1.008 | |
| 1827 1673 opls_307 112 ARG CD 585 0.19 12.011 | |
| 1828 1674 opls_140 112 ARG HD1 585 0.06 1.008 | |
| 1829 1675 opls_140 112 ARG HD2 585 0.06 1.008 | |
| 1830 1676 opls_303 112 ARG NE 586 -0.7 14.0067 | |
| 1831 1677 opls_304 112 ARG HE 586 0.44 1.008 | |
| 1832 1678 opls_302 112 ARG CZ 586 0.64 12.011 | |
| 1833 1679 opls_300 112 ARG NH1 587 -0.8 14.0067 | |
| 1834 1680 opls_301 112 ARG HH11 587 0.46 1.008 | |
| 1835 1681 opls_301 112 ARG HH12 587 0.46 1.008 | |
| 1836 1682 opls_300 112 ARG NH2 588 -0.8 14.0067 | |
| 1837 1683 opls_301 112 ARG HH21 588 0.46 1.008 | |
| 1838 1684 opls_301 112 ARG HH22 588 0.46 1.008 | |
| 1839 1685 opls_235 112 ARG C 589 0.5 12.011 | |
| 1840 1686 opls_236 112 ARG O 589 -0.5 15.9994 ; qtot 6 | |
| 1841 ; residue 113 ASN rtp ASN q 0.0 | |
| 1842 1687 opls_238 113 ASN N 590 -0.5 14.0067 | |
| 1843 1688 opls_241 113 ASN H 590 0.3 1.008 | |
| 1844 1689 opls_224B 113 ASN CA 591 0.14 12.011 | |
| 1845 1690 opls_140 113 ASN HA 591 0.06 1.008 | |
| 1846 1691 opls_136 113 ASN CB 592 -0.12 12.011 | |
| 1847 1692 opls_140 113 ASN HB1 592 0.06 1.008 | |
| 1848 1693 opls_140 113 ASN HB2 592 0.06 1.008 | |
| 1849 1694 opls_235 113 ASN CG 593 0.5 12.011 | |
| 1850 1695 opls_236 113 ASN OD1 593 -0.5 15.9994 | |
| 1851 1696 opls_237 113 ASN ND2 594 -0.76 14.0067 | |
| 1852 1697 opls_240 113 ASN HD21 594 0.38 1.008 | |
| 1853 1698 opls_240 113 ASN HD22 594 0.38 1.008 | |
| 1854 1699 opls_235 113 ASN C 595 0.5 12.011 | |
| 1855 1700 opls_236 113 ASN O 595 -0.5 15.9994 ; qtot 6 | |
| 1856 ; residue 114 ARG rtp ARG q +1.0 | |
| 1857 1701 opls_238 114 ARG N 596 -0.5 14.0067 | |
| 1858 1702 opls_241 114 ARG H 596 0.3 1.008 | |
| 1859 1703 opls_224B 114 ARG CA 596 0.14 12.011 | |
| 1860 1704 opls_140 114 ARG HA 596 0.06 1.008 | |
| 1861 1705 opls_136 114 ARG CB 597 -0.12 12.011 | |
| 1862 1706 opls_140 114 ARG HB1 597 0.06 1.008 | |
| 1863 1707 opls_140 114 ARG HB2 597 0.06 1.008 | |
| 1864 1708 opls_308 114 ARG CG 598 -0.05 12.011 | |
| 1865 1709 opls_140 114 ARG HG1 598 0.06 1.008 | |
| 1866 1710 opls_140 114 ARG HG2 598 0.06 1.008 | |
| 1867 1711 opls_307 114 ARG CD 599 0.19 12.011 | |
| 1868 1712 opls_140 114 ARG HD1 599 0.06 1.008 | |
| 1869 1713 opls_140 114 ARG HD2 599 0.06 1.008 | |
| 1870 1714 opls_303 114 ARG NE 600 -0.7 14.0067 | |
| 1871 1715 opls_304 114 ARG HE 600 0.44 1.008 | |
| 1872 1716 opls_302 114 ARG CZ 600 0.64 12.011 | |
| 1873 1717 opls_300 114 ARG NH1 601 -0.8 14.0067 | |
| 1874 1718 opls_301 114 ARG HH11 601 0.46 1.008 | |
| 1875 1719 opls_301 114 ARG HH12 601 0.46 1.008 | |
| 1876 1720 opls_300 114 ARG NH2 602 -0.8 14.0067 | |
| 1877 1721 opls_301 114 ARG HH21 602 0.46 1.008 | |
| 1878 1722 opls_301 114 ARG HH22 602 0.46 1.008 | |
| 1879 1723 opls_235 114 ARG C 603 0.5 12.011 | |
| 1880 1724 opls_236 114 ARG O 603 -0.5 15.9994 ; qtot 7 | |
| 1881 ; residue 115 CYS rtp CYS2 q 0.0 | |
| 1882 1725 opls_238 115 CYS N 604 -0.5 14.0067 | |
| 1883 1726 opls_241 115 CYS H 604 0.3 1.008 | |
| 1884 1727 opls_224B 115 CYS CA 604 0.14 12.011 | |
| 1885 1728 opls_140 115 CYS HA 604 0.06 1.008 | |
| 1886 1729 opls_214 115 CYS CB 605 0.0975 12.011 | |
| 1887 1730 opls_140 115 CYS HB1 605 0.06 1.008 | |
| 1888 1731 opls_140 115 CYS HB2 605 0.06 1.008 | |
| 1889 1732 opls_203 115 CYS SG 605 -0.2175 32.06 | |
| 1890 1733 opls_235 115 CYS C 606 0.5 12.011 | |
| 1891 1734 opls_236 115 CYS O 606 -0.5 15.9994 ; qtot 7 | |
| 1892 ; residue 116 LYS rtp LYSH q +1.0 | |
| 1893 1735 opls_238 116 LYS N 607 -0.5 14.0067 | |
| 1894 1736 opls_241 116 LYS H 607 0.3 1.008 | |
| 1895 1737 opls_224B 116 LYS CA 607 0.14 12.011 | |
| 1896 1738 opls_140 116 LYS HA 607 0.06 1.008 | |
| 1897 1739 opls_136 116 LYS CB 608 -0.12 12.011 | |
| 1898 1740 opls_140 116 LYS HB1 608 0.06 1.008 | |
| 1899 1741 opls_140 116 LYS HB2 608 0.06 1.008 | |
| 1900 1742 opls_136 116 LYS CG 609 -0.12 12.011 | |
| 1901 1743 opls_140 116 LYS HG1 609 0.06 1.008 | |
| 1902 1744 opls_140 116 LYS HG2 609 0.06 1.008 | |
| 1903 1745 opls_136 116 LYS CD 610 -0.12 12.011 | |
| 1904 1746 opls_140 116 LYS HD1 610 0.06 1.008 | |
| 1905 1747 opls_140 116 LYS HD2 610 0.06 1.008 | |
| 1906 1748 opls_292 116 LYS CE 611 0.19 12.011 | |
| 1907 1749 opls_140 116 LYS HE1 611 0.06 1.008 | |
| 1908 1750 opls_140 116 LYS HE2 611 0.06 1.008 | |
| 1909 1751 opls_287 116 LYS NZ 612 -0.3 14.0067 | |
| 1910 1752 opls_290 116 LYS HZ1 612 0.33 1.008 | |
| 1911 1753 opls_290 116 LYS HZ2 612 0.33 1.008 | |
| 1912 1754 opls_290 116 LYS HZ3 612 0.33 1.008 | |
| 1913 1755 opls_235 116 LYS C 613 0.5 12.011 | |
| 1914 1756 opls_236 116 LYS O 613 -0.5 15.9994 ; qtot 8 | |
| 1915 ; residue 117 GLY rtp GLY q 0.0 | |
| 1916 1757 opls_238 117 GLY N 614 -0.5 14.0067 | |
| 1917 1758 opls_241 117 GLY H 614 0.3 1.008 | |
| 1918 1759 opls_223B 117 GLY CA 614 0.08 12.011 | |
| 1919 1760 opls_140 117 GLY HA1 614 0.06 1.008 | |
| 1920 1761 opls_140 117 GLY HA2 614 0.06 1.008 | |
| 1921 1762 opls_235 117 GLY C 615 0.5 12.011 | |
| 1922 1763 opls_236 117 GLY O 615 -0.5 15.9994 ; qtot 8 | |
| 1923 ; residue 118 THR rtp THR q 0.0 | |
| 1924 1764 opls_238 118 THR N 616 -0.5 14.0067 | |
| 1925 1765 opls_241 118 THR H 616 0.3 1.008 | |
| 1926 1766 opls_224B 118 THR CA 616 0.14 12.011 | |
| 1927 1767 opls_140 118 THR HA 616 0.06 1.008 | |
| 1928 1768 opls_158 118 THR CB 617 0.205 12.011 | |
| 1929 1769 opls_140 118 THR HB 617 0.06 1.008 | |
| 1930 1770 opls_154 118 THR OG1 617 -0.683 15.9994 | |
| 1931 1771 opls_155 118 THR HG1 617 0.418 1.008 | |
| 1932 1772 opls_135 118 THR CG2 618 -0.18 12.011 | |
| 1933 1773 opls_140 118 THR HG21 618 0.06 1.008 | |
| 1934 1774 opls_140 118 THR HG22 618 0.06 1.008 | |
| 1935 1775 opls_140 118 THR HG23 618 0.06 1.008 | |
| 1936 1776 opls_235 118 THR C 619 0.5 12.011 | |
| 1937 1777 opls_236 118 THR O 619 -0.5 15.9994 ; qtot 8 | |
| 1938 ; residue 119 ASP rtp ASP q -1.0 | |
| 1939 1778 opls_238 119 ASP N 620 -0.5 14.0067 | |
| 1940 1779 opls_241 119 ASP H 620 0.3 1.008 | |
| 1941 1780 opls_224B 119 ASP CA 620 0.14 12.011 | |
| 1942 1781 opls_140 119 ASP HA 620 0.06 1.008 | |
| 1943 1782 opls_274 119 ASP CB 621 -0.22 12.011 | |
| 1944 1783 opls_140 119 ASP HB1 621 0.06 1.008 | |
| 1945 1784 opls_140 119 ASP HB2 621 0.06 1.008 | |
| 1946 1785 opls_271 119 ASP CG 622 0.7 12.011 | |
| 1947 1786 opls_272 119 ASP OD1 622 -0.8 15.9994 | |
| 1948 1787 opls_272 119 ASP OD2 622 -0.8 15.9994 | |
| 1949 1788 opls_235 119 ASP C 623 0.5 12.011 | |
| 1950 1789 opls_236 119 ASP O 623 -0.5 15.9994 ; qtot 7 | |
| 1951 ; residue 120 VAL rtp VAL q 0.0 | |
| 1952 1790 opls_238 120 VAL N 624 -0.5 14.0067 | |
| 1953 1791 opls_241 120 VAL H 624 0.3 1.008 | |
| 1954 1792 opls_224B 120 VAL CA 624 0.14 12.011 | |
| 1955 1793 opls_140 120 VAL HA 624 0.06 1.008 | |
| 1956 1794 opls_137 120 VAL CB 625 -0.06 12.011 | |
| 1957 1795 opls_140 120 VAL HB 625 0.06 1.008 | |
| 1958 1796 opls_135 120 VAL CG1 626 -0.18 12.011 | |
| 1959 1797 opls_140 120 VAL HG11 626 0.06 1.008 | |
| 1960 1798 opls_140 120 VAL HG12 626 0.06 1.008 | |
| 1961 1799 opls_140 120 VAL HG13 626 0.06 1.008 | |
| 1962 1800 opls_135 120 VAL CG2 627 -0.18 12.011 | |
| 1963 1801 opls_140 120 VAL HG21 627 0.06 1.008 | |
| 1964 1802 opls_140 120 VAL HG22 627 0.06 1.008 | |
| 1965 1803 opls_140 120 VAL HG23 627 0.06 1.008 | |
| 1966 1804 opls_235 120 VAL C 628 0.5 12.011 | |
| 1967 1805 opls_236 120 VAL O 628 -0.5 15.9994 ; qtot 7 | |
| 1968 ; residue 121 GLN rtp GLN q 0.0 | |
| 1969 1806 opls_238 121 GLN N 629 -0.5 14.0067 | |
| 1970 1807 opls_241 121 GLN H 629 0.3 1.008 | |
| 1971 1808 opls_224B 121 GLN CA 630 0.14 12.011 | |
| 1972 1809 opls_140 121 GLN HA 630 0.06 1.008 | |
| 1973 1810 opls_136 121 GLN CB 631 -0.12 12.011 | |
| 1974 1811 opls_140 121 GLN HB1 631 0.06 1.008 | |
| 1975 1812 opls_140 121 GLN HB2 631 0.06 1.008 | |
| 1976 1813 opls_136 121 GLN CG 632 -0.12 12.011 | |
| 1977 1814 opls_140 121 GLN HG1 632 0.06 1.008 | |
| 1978 1815 opls_140 121 GLN HG2 632 0.06 1.008 | |
| 1979 1816 opls_235 121 GLN CD 633 0.5 12.011 | |
| 1980 1817 opls_236 121 GLN OE1 633 -0.5 15.9994 | |
| 1981 1818 opls_237 121 GLN NE2 634 -0.76 14.0067 | |
| 1982 1819 opls_240 121 GLN HE21 634 0.38 1.008 | |
| 1983 1820 opls_240 121 GLN HE22 634 0.38 1.008 | |
| 1984 1821 opls_235 121 GLN C 635 0.5 12.011 | |
| 1985 1822 opls_236 121 GLN O 635 -0.5 15.9994 ; qtot 7 | |
| 1986 ; residue 122 ALA rtp ALA q 0.0 | |
| 1987 1823 opls_238 122 ALA N 636 -0.5 14.0067 | |
| 1988 1824 opls_241 122 ALA H 636 0.3 1.008 | |
| 1989 1825 opls_224B 122 ALA CA 636 0.14 12.011 | |
| 1990 1826 opls_140 122 ALA HA 636 0.06 1.008 | |
| 1991 1827 opls_135 122 ALA CB 637 -0.18 12.011 | |
| 1992 1828 opls_140 122 ALA HB1 637 0.06 1.008 | |
| 1993 1829 opls_140 122 ALA HB2 637 0.06 1.008 | |
| 1994 1830 opls_140 122 ALA HB3 637 0.06 1.008 | |
| 1995 1831 opls_235 122 ALA C 638 0.5 12.011 | |
| 1996 1832 opls_236 122 ALA O 638 -0.5 15.9994 ; qtot 7 | |
| 1997 ; residue 123 TRP rtp TRP q 0.0 | |
| 1998 1833 opls_238 123 TRP N 639 -0.5 14.0067 | |
| 1999 1834 opls_241 123 TRP H 639 0.3 1.008 | |
| 2000 1835 opls_224B 123 TRP CA 639 0.14 12.011 | |
| 2001 1836 opls_140 123 TRP HA 639 0.06 1.008 | |
| 2002 1837 opls_136 123 TRP CB 640 -0.12 12.011 | |
| 2003 1838 opls_140 123 TRP HB1 640 0.06 1.008 | |
| 2004 1839 opls_140 123 TRP HB2 640 0.06 1.008 | |
| 2005 1840 opls_500 123 TRP CG 641 0.075 12.011 | |
| 2006 1841 opls_514 123 TRP CD1 642 -0.115 12.011 | |
| 2007 1842 opls_146 123 TRP HD1 642 0.115 1.008 | |
| 2008 1843 opls_501 123 TRP CD2 643 -0.055 12.011 | |
| 2009 1844 opls_503 123 TRP NE1 644 -0.57 14.0067 | |
| 2010 1845 opls_504 123 TRP HE1 644 0.42 1.008 | |
| 2011 1846 opls_502 123 TRP CE2 644 0.13 12.011 | |
| 2012 1847 opls_145 123 TRP CE3 645 -0.115 12.011 | |
| 2013 1848 opls_146 123 TRP HE3 645 0.115 1.008 | |
| 2014 1849 opls_145 123 TRP CZ2 646 -0.115 12.011 | |
| 2015 1850 opls_146 123 TRP HZ2 646 0.115 1.008 | |
| 2016 1851 opls_145 123 TRP CZ3 647 -0.115 12.011 | |
| 2017 1852 opls_146 123 TRP HZ3 647 0.115 1.008 | |
| 2018 1853 opls_145 123 TRP CH2 648 -0.115 12.011 | |
| 2019 1854 opls_146 123 TRP HH2 648 0.115 1.008 | |
| 2020 1855 opls_235 123 TRP C 649 0.5 12.011 | |
| 2021 1856 opls_236 123 TRP O 649 -0.5 15.9994 ; qtot 7 | |
| 2022 ; residue 124 ILE rtp ILE q 0.0 | |
| 2023 1857 opls_238 124 ILE N 650 -0.5 14.0067 | |
| 2024 1858 opls_241 124 ILE H 650 0.3 1.008 | |
| 2025 1859 opls_224B 124 ILE CA 650 0.14 12.011 | |
| 2026 1860 opls_140 124 ILE HA 650 0.06 1.008 | |
| 2027 1861 opls_137 124 ILE CB 651 -0.06 12.011 | |
| 2028 1862 opls_140 124 ILE HB 651 0.06 1.008 | |
| 2029 1863 opls_136 124 ILE CG1 652 -0.12 12.011 | |
| 2030 1864 opls_140 124 ILE HG11 652 0.06 1.008 | |
| 2031 1865 opls_140 124 ILE HG12 652 0.06 1.008 | |
| 2032 1866 opls_135 124 ILE CG2 653 -0.18 12.011 | |
| 2033 1867 opls_140 124 ILE HG21 653 0.06 1.008 | |
| 2034 1868 opls_140 124 ILE HG22 653 0.06 1.008 | |
| 2035 1869 opls_140 124 ILE HG23 653 0.06 1.008 | |
| 2036 1870 opls_135 124 ILE CD 654 -0.18 12.011 | |
| 2037 1871 opls_140 124 ILE HD1 654 0.06 1.008 | |
| 2038 1872 opls_140 124 ILE HD2 654 0.06 1.008 | |
| 2039 1873 opls_140 124 ILE HD3 654 0.06 1.008 | |
| 2040 1874 opls_235 124 ILE C 655 0.5 12.011 | |
| 2041 1875 opls_236 124 ILE O 655 -0.5 15.9994 ; qtot 7 | |
| 2042 ; residue 125 ARG rtp ARG q +1.0 | |
| 2043 1876 opls_238 125 ARG N 656 -0.5 14.0067 | |
| 2044 1877 opls_241 125 ARG H 656 0.3 1.008 | |
| 2045 1878 opls_224B 125 ARG CA 656 0.14 12.011 | |
| 2046 1879 opls_140 125 ARG HA 656 0.06 1.008 | |
| 2047 1880 opls_136 125 ARG CB 657 -0.12 12.011 | |
| 2048 1881 opls_140 125 ARG HB1 657 0.06 1.008 | |
| 2049 1882 opls_140 125 ARG HB2 657 0.06 1.008 | |
| 2050 1883 opls_308 125 ARG CG 658 -0.05 12.011 | |
| 2051 1884 opls_140 125 ARG HG1 658 0.06 1.008 | |
| 2052 1885 opls_140 125 ARG HG2 658 0.06 1.008 | |
| 2053 1886 opls_307 125 ARG CD 659 0.19 12.011 | |
| 2054 1887 opls_140 125 ARG HD1 659 0.06 1.008 | |
| 2055 1888 opls_140 125 ARG HD2 659 0.06 1.008 | |
| 2056 1889 opls_303 125 ARG NE 660 -0.7 14.0067 | |
| 2057 1890 opls_304 125 ARG HE 660 0.44 1.008 | |
| 2058 1891 opls_302 125 ARG CZ 660 0.64 12.011 | |
| 2059 1892 opls_300 125 ARG NH1 661 -0.8 14.0067 | |
| 2060 1893 opls_301 125 ARG HH11 661 0.46 1.008 | |
| 2061 1894 opls_301 125 ARG HH12 661 0.46 1.008 | |
| 2062 1895 opls_300 125 ARG NH2 662 -0.8 14.0067 | |
| 2063 1896 opls_301 125 ARG HH21 662 0.46 1.008 | |
| 2064 1897 opls_301 125 ARG HH22 662 0.46 1.008 | |
| 2065 1898 opls_235 125 ARG C 663 0.5 12.011 | |
| 2066 1899 opls_236 125 ARG O 663 -0.5 15.9994 ; qtot 8 | |
| 2067 ; residue 126 GLY rtp GLY q 0.0 | |
| 2068 1900 opls_238 126 GLY N 664 -0.5 14.0067 | |
| 2069 1901 opls_241 126 GLY H 664 0.3 1.008 | |
| 2070 1902 opls_223B 126 GLY CA 664 0.08 12.011 | |
| 2071 1903 opls_140 126 GLY HA1 664 0.06 1.008 | |
| 2072 1904 opls_140 126 GLY HA2 664 0.06 1.008 | |
| 2073 1905 opls_235 126 GLY C 665 0.5 12.011 | |
| 2074 1906 opls_236 126 GLY O 665 -0.5 15.9994 ; qtot 8 | |
| 2075 ; residue 127 CYS rtp CYS2 q 0.0 | |
| 2076 1907 opls_238 127 CYS N 666 -0.5 14.0067 | |
| 2077 1908 opls_241 127 CYS H 666 0.3 1.008 | |
| 2078 1909 opls_224B 127 CYS CA 666 0.14 12.011 | |
| 2079 1910 opls_140 127 CYS HA 666 0.06 1.008 | |
| 2080 1911 opls_214 127 CYS CB 667 0.0975 12.011 | |
| 2081 1912 opls_140 127 CYS HB1 667 0.06 1.008 | |
| 2082 1913 opls_140 127 CYS HB2 667 0.06 1.008 | |
| 2083 1914 opls_203 127 CYS SG 667 -0.2175 32.06 | |
| 2084 1915 opls_235 127 CYS C 668 0.5 12.011 | |
| 2085 1916 opls_236 127 CYS O 668 -0.5 15.9994 ; qtot 8 | |
| 2086 ; residue 128 ARG rtp ARG q +1.0 | |
| 2087 1917 opls_238 128 ARG N 669 -0.5 14.0067 | |
| 2088 1918 opls_241 128 ARG H 669 0.3 1.008 | |
| 2089 1919 opls_224B 128 ARG CA 669 0.14 12.011 | |
| 2090 1920 opls_140 128 ARG HA 669 0.06 1.008 | |
| 2091 1921 opls_136 128 ARG CB 670 -0.12 12.011 | |
| 2092 1922 opls_140 128 ARG HB1 670 0.06 1.008 | |
| 2093 1923 opls_140 128 ARG HB2 670 0.06 1.008 | |
| 2094 1924 opls_308 128 ARG CG 671 -0.05 12.011 | |
| 2095 1925 opls_140 128 ARG HG1 671 0.06 1.008 | |
| 2096 1926 opls_140 128 ARG HG2 671 0.06 1.008 | |
| 2097 1927 opls_307 128 ARG CD 672 0.19 12.011 | |
| 2098 1928 opls_140 128 ARG HD1 672 0.06 1.008 | |
| 2099 1929 opls_140 128 ARG HD2 672 0.06 1.008 | |
| 2100 1930 opls_303 128 ARG NE 673 -0.7 14.0067 | |
| 2101 1931 opls_304 128 ARG HE 673 0.44 1.008 | |
| 2102 1932 opls_302 128 ARG CZ 673 0.64 12.011 | |
| 2103 1933 opls_300 128 ARG NH1 674 -0.8 14.0067 | |
| 2104 1934 opls_301 128 ARG HH11 674 0.46 1.008 | |
| 2105 1935 opls_301 128 ARG HH12 674 0.46 1.008 | |
| 2106 1936 opls_300 128 ARG NH2 675 -0.8 14.0067 | |
| 2107 1937 opls_301 128 ARG HH21 675 0.46 1.008 | |
| 2108 1938 opls_301 128 ARG HH22 675 0.46 1.008 | |
| 2109 1939 opls_235 128 ARG C 676 0.5 12.011 | |
| 2110 1940 opls_236 128 ARG O 676 -0.5 15.9994 ; qtot 9 | |
| 2111 ; residue 129 LEU rtp LEU q -1.0 | |
| 2112 1941 opls_238 129 LEU N 677 -0.5 14.0067 | |
| 2113 1942 opls_241 129 LEU H 677 0.3 1.008 | |
| 2114 1943 opls_283 129 LEU CA 677 0.04 12.011 | |
| 2115 1944 opls_140 129 LEU HA 677 0.06 1.008 | |
| 2116 1945 opls_136 129 LEU CB 678 -0.12 12.011 | |
| 2117 1946 opls_140 129 LEU HB1 678 0.06 1.008 | |
| 2118 1947 opls_140 129 LEU HB2 678 0.06 1.008 | |
| 2119 1948 opls_137 129 LEU CG 679 -0.06 12.011 | |
| 2120 1949 opls_140 129 LEU HG 679 0.06 1.008 | |
| 2121 1950 opls_135 129 LEU CD1 680 -0.18 12.011 | |
| 2122 1951 opls_140 129 LEU HD11 680 0.06 1.008 | |
| 2123 1952 opls_140 129 LEU HD12 680 0.06 1.008 | |
| 2124 1953 opls_140 129 LEU HD13 680 0.06 1.008 | |
| 2125 1954 opls_135 129 LEU CD2 681 -0.18 12.011 | |
| 2126 1955 opls_140 129 LEU HD21 681 0.06 1.008 | |
| 2127 1956 opls_140 129 LEU HD22 681 0.06 1.008 | |
| 2128 1957 opls_140 129 LEU HD23 681 0.06 1.008 | |
| 2129 1958 opls_271 129 LEU C 682 0.7 12.011 | |
| 2130 1959 opls_272 129 LEU O1 682 -0.8 15.9994 | |
| 2131 1960 opls_272 129 LEU O2 682 -0.8 15.9994 ; qtot 8 | |
| 2132 | 140 |
| 2133 [ bonds ] | 141 [ bonds ] |
| 2134 ; ai aj funct c0 c1 c2 c3 | 142 ; ai aj funct c0 c1 c2 c3 |
| 2135 1 2 1 | 143 1 2 1 |
| 2136 1 3 1 | 144 1 3 1 |
| 2222 84 86 1 | 230 84 86 1 |
| 2223 87 88 1 | 231 87 88 1 |
| 2224 87 89 1 | 232 87 89 1 |
| 2225 90 91 1 | 233 90 91 1 |
| 2226 90 92 1 | 234 90 92 1 |
| 2227 92 93 1 | |
| 2228 92 94 1 | |
| 2229 94 95 1 | |
| 2230 94 96 1 | |
| 2231 94 100 1 | |
| 2232 96 97 1 | |
| 2233 96 98 1 | |
| 2234 96 99 1 | |
| 2235 99 1914 1 | |
| 2236 100 101 1 | |
| 2237 100 102 1 | |
| 2238 102 103 1 | |
| 2239 102 104 1 | |
| 2240 104 105 1 | |
| 2241 104 106 1 | |
| 2242 104 115 1 | |
| 2243 106 107 1 | |
| 2244 106 108 1 | |
| 2245 106 109 1 | |
| 2246 109 110 1 | |
| 2247 109 111 1 | |
| 2248 109 112 1 | |
| 2249 112 113 1 | |
| 2250 112 114 1 | |
| 2251 115 116 1 | |
| 2252 115 117 1 | |
| 2253 117 118 1 | |
| 2254 117 119 1 | |
| 2255 119 120 1 | |
| 2256 119 121 1 | |
| 2257 119 134 1 | |
| 2258 121 122 1 | |
| 2259 121 123 1 | |
| 2260 121 124 1 | |
| 2261 124 125 1 | |
| 2262 124 126 1 | |
| 2263 124 130 1 | |
| 2264 126 127 1 | |
| 2265 126 128 1 | |
| 2266 126 129 1 | |
| 2267 130 131 1 | |
| 2268 130 132 1 | |
| 2269 130 133 1 | |
| 2270 134 135 1 | |
| 2271 134 136 1 | |
| 2272 136 137 1 | |
| 2273 136 138 1 | |
| 2274 138 139 1 | |
| 2275 138 140 1 | |
| 2276 138 144 1 | |
| 2277 140 141 1 | |
| 2278 140 142 1 | |
| 2279 140 143 1 | |
| 2280 144 145 1 | |
| 2281 144 146 1 | |
| 2282 146 147 1 | |
| 2283 146 148 1 | |
| 2284 148 149 1 | |
| 2285 148 150 1 | |
| 2286 148 154 1 | |
| 2287 150 151 1 | |
| 2288 150 152 1 | |
| 2289 150 153 1 | |
| 2290 154 155 1 | |
| 2291 154 156 1 | |
| 2292 156 157 1 | |
| 2293 156 158 1 | |
| 2294 158 159 1 | |
| 2295 158 160 1 | |
| 2296 158 164 1 | |
| 2297 160 161 1 | |
| 2298 160 162 1 | |
| 2299 160 163 1 | |
| 2300 164 165 1 | |
| 2301 164 166 1 | |
| 2302 166 167 1 | |
| 2303 166 168 1 | |
| 2304 168 169 1 | |
| 2305 168 170 1 | |
| 2306 168 181 1 | |
| 2307 170 171 1 | |
| 2308 170 172 1 | |
| 2309 170 173 1 | |
| 2310 173 174 1 | |
| 2311 173 175 1 | |
| 2312 173 176 1 | |
| 2313 176 177 1 | |
| 2314 177 178 1 | |
| 2315 177 179 1 | |
| 2316 177 180 1 | |
| 2317 181 182 1 | |
| 2318 181 183 1 | |
| 2319 183 184 1 | |
| 2320 183 185 1 | |
| 2321 185 186 1 | |
| 2322 185 187 1 | |
| 2323 185 203 1 | |
| 2324 187 188 1 | |
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| 2327 190 191 1 | |
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| 2332 193 196 1 | |
| 2333 196 197 1 | |
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| 2340 203 205 1 | |
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| 2344 207 209 1 | |
| 2345 207 227 1 | |
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| 2351 212 215 1 | |
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| 2355 218 219 1 | |
| 2356 218 220 1 | |
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| 2358 220 224 1 | |
| 2359 221 222 1 | |
| 2360 221 223 1 | |
| 2361 224 225 1 | |
| 2362 224 226 1 | |
| 2363 227 228 1 | |
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| 2369 231 244 1 | |
| 2370 233 234 1 | |
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| 4060 1900 1902 1 | |
| 4061 1902 1903 1 | |
| 4062 1902 1904 1 | |
| 4063 1902 1905 1 | |
| 4064 1905 1906 1 | |
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| 4070 1909 1915 1 | |
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| 4074 1915 1916 1 | |
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| 4079 1919 1921 1 | |
| 4080 1919 1939 1 | |
| 4081 1921 1922 1 | |
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| 4090 1930 1931 1 | |
| 4091 1930 1932 1 | |
| 4092 1932 1933 1 | |
| 4093 1932 1936 1 | |
| 4094 1933 1934 1 | |
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| 4098 1939 1940 1 | |
| 4099 1939 1941 1 | |
| 4100 1941 1942 1 | |
| 4101 1941 1943 1 | |
| 4102 1943 1944 1 | |
| 4103 1943 1945 1 | |
| 4104 1943 1958 1 | |
| 4105 1945 1946 1 | |
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| 4110 1948 1954 1 | |
| 4111 1950 1951 1 | |
| 4112 1950 1952 1 | |
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| 4114 1954 1955 1 | |
| 4115 1954 1956 1 | |
| 4116 1954 1957 1 | |
| 4117 1958 1959 1 | |
| 4118 1958 1960 1 | |
| 4119 | 235 |
| 4120 [ pairs ] | 236 [ pairs ] |
| 4121 ; ai aj funct c0 c1 c2 c3 | 237 ; ai aj funct c0 c1 c2 c3 |
| 4122 1 8 1 | 238 1 8 1 |
| 4123 1 9 1 | 239 1 9 1 |
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| 9108 1910 1913 1 | |
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| 9128 1918 1921 1 | |
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| 9137 1920 1924 1 | |
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| 9143 1921 1940 1 | |
| 9144 1921 1941 1 | |
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| 9146 1922 1926 1 | |
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| 9228 | 470 |
| 9229 [ angles ] | 471 [ angles ] |
| 9230 ; ai aj ak funct c0 c1 c2 c3 | 472 ; ai aj ak funct c0 c1 c2 c3 |
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| 12598 1860 1859 1874 1 | |
| 12599 1861 1859 1874 1 | |
| 12600 1859 1861 1862 1 | |
| 12601 1859 1861 1863 1 | |
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| 12780 ; ai aj ak al funct c0 c1 c2 c3 c4 c5 | 640 ; ai aj ak al funct c0 c1 c2 c3 c4 c5 |
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| 13480 257 260 266 267 3 | |
| 13481 257 260 266 268 3 | |
| 13482 257 260 266 269 3 | |
| 13483 261 260 266 267 3 | |
| 13484 261 260 266 268 3 | |
| 13485 261 260 266 269 3 | |
| 13486 262 260 266 267 3 | |
| 13487 262 260 266 268 3 | |
| 13488 262 260 266 269 3 | |
| 13489 255 270 272 273 3 | |
| 13490 255 270 272 274 3 | |
| 13491 271 270 272 273 3 | |
| 13492 271 270 272 274 3 | |
| 13493 270 272 274 275 3 | |
| 13494 270 272 274 276 3 | |
| 13495 270 272 274 282 3 | |
| 13496 273 272 274 275 3 | |
| 13497 273 272 274 276 3 | |
| 13498 273 272 274 282 3 | |
| 13499 272 274 276 279 3 dih_ASP_chi1_N_C_C_C | |
| 13500 282 274 276 279 3 dih_ASP_chi1_C_C_C_CO | |
| 13501 272 274 276 277 3 | |
| 13502 272 274 276 278 3 | |
| 13503 275 274 276 277 3 | |
| 13504 275 274 276 278 3 | |
| 13505 275 274 276 279 3 | |
| 13506 282 274 276 277 3 | |
| 13507 282 274 276 278 3 | |
| 13508 272 274 282 283 3 | |
| 13509 272 274 282 284 3 | |
| 13510 275 274 282 283 3 | |
| 13511 275 274 282 284 3 | |
| 13512 276 274 282 283 3 | |
| 13513 276 274 282 284 3 | |
| 13514 274 276 279 280 3 | |
| 13515 274 276 279 281 3 | |
| 13516 277 276 279 280 3 | |
| 13517 277 276 279 281 3 | |
| 13518 278 276 279 280 3 | |
| 13519 278 276 279 281 3 | |
| 13520 274 282 284 285 3 | |
| 13521 274 282 284 286 3 | |
| 13522 283 282 284 285 3 | |
| 13523 283 282 284 286 3 | |
| 13524 282 284 286 287 3 | |
| 13525 282 284 286 288 3 | |
| 13526 282 284 286 296 3 | |
| 13527 285 284 286 287 3 | |
| 13528 285 284 286 288 3 | |
| 13529 285 284 286 296 3 | |
| 13530 284 286 288 291 3 dih_ASN_chi1_N_C_C_C | |
| 13531 296 286 288 291 3 dih_ASN_chi1_C_C_C_CO | |
| 13532 284 286 288 289 3 | |
| 13533 284 286 288 290 3 | |
| 13534 287 286 288 289 3 | |
| 13535 287 286 288 290 3 | |
| 13536 287 286 288 291 3 | |
| 13537 296 286 288 289 3 | |
| 13538 296 286 288 290 3 | |
| 13539 284 286 296 297 3 | |
| 13540 284 286 296 298 3 | |
| 13541 287 286 296 297 3 | |
| 13542 287 286 296 298 3 | |
| 13543 288 286 296 297 3 | |
| 13544 288 286 296 298 3 | |
| 13545 286 288 291 293 3 dih_ASN_chi2_C_C_CO_N | |
| 13546 286 288 291 292 3 | |
| 13547 289 288 291 292 3 | |
| 13548 289 288 291 293 3 | |
| 13549 290 288 291 292 3 | |
| 13550 290 288 291 293 3 | |
| 13551 288 291 293 294 3 | |
| 13552 288 291 293 295 3 | |
| 13553 292 291 293 294 3 | |
| 13554 292 291 293 295 3 | |
| 13555 286 296 298 299 3 | |
| 13556 286 296 298 300 3 | |
| 13557 297 296 298 299 3 | |
| 13558 297 296 298 300 3 | |
| 13559 296 298 300 301 3 | |
| 13560 296 298 300 302 3 | |
| 13561 296 298 300 317 3 | |
| 13562 299 298 300 301 3 | |
| 13563 299 298 300 302 3 | |
| 13564 299 298 300 317 3 | |
| 13565 298 300 302 303 3 | |
| 13566 298 300 302 304 3 | |
| 13567 298 300 302 305 3 | |
| 13568 301 300 302 303 3 | |
| 13569 301 300 302 304 3 | |
| 13570 301 300 302 305 3 | |
| 13571 317 300 302 303 3 | |
| 13572 317 300 302 304 3 | |
| 13573 317 300 302 305 3 | |
| 13574 298 300 317 318 3 | |
| 13575 298 300 317 319 3 | |
| 13576 301 300 317 318 3 | |
| 13577 301 300 317 319 3 | |
| 13578 302 300 317 318 3 | |
| 13579 302 300 317 319 3 | |
| 13580 300 302 305 306 3 | |
| 13581 300 302 305 308 3 | |
| 13582 303 302 305 306 3 | |
| 13583 303 302 305 308 3 | |
| 13584 304 302 305 306 3 | |
| 13585 304 302 305 308 3 | |
| 13586 302 305 306 307 3 | |
| 13587 302 305 306 310 3 | |
| 13588 308 305 306 307 3 | |
| 13589 308 305 306 310 3 | |
| 13590 302 305 308 309 3 | |
| 13591 302 305 308 312 3 | |
| 13592 306 305 308 309 3 | |
| 13593 306 305 308 312 3 | |
| 13594 305 306 310 311 3 | |
| 13595 305 306 310 314 3 | |
| 13596 307 306 310 311 3 | |
| 13597 307 306 310 314 3 | |
| 13598 305 308 312 313 3 | |
| 13599 305 308 312 314 3 | |
| 13600 309 308 312 313 3 | |
| 13601 309 308 312 314 3 | |
| 13602 306 310 314 312 3 | |
| 13603 306 310 314 315 3 | |
| 13604 311 310 314 312 3 | |
| 13605 311 310 314 315 3 | |
| 13606 308 312 314 310 3 | |
| 13607 308 312 314 315 3 | |
| 13608 313 312 314 310 3 | |
| 13609 313 312 314 315 3 | |
| 13610 310 314 315 316 3 | |
| 13611 312 314 315 316 3 | |
| 13612 300 317 319 320 3 | |
| 13613 300 317 319 321 3 | |
| 13614 318 317 319 320 3 | |
| 13615 318 317 319 321 3 | |
| 13616 317 319 321 322 3 | |
| 13617 317 319 321 323 3 | |
| 13618 317 319 321 341 3 | |
| 13619 320 319 321 322 3 | |
| 13620 320 319 321 323 3 | |
| 13621 320 319 321 341 3 | |
| 13622 319 321 323 326 3 dih_ARG_chi1_N_C_C_C | |
| 13623 341 321 323 326 3 dih_ARG_chi1_C_C_C_CO | |
| 13624 319 321 323 324 3 | |
| 13625 319 321 323 325 3 | |
| 13626 322 321 323 324 3 | |
| 13627 322 321 323 325 3 | |
| 13628 322 321 323 326 3 | |
| 13629 341 321 323 324 3 | |
| 13630 341 321 323 325 3 | |
| 13631 319 321 341 342 3 | |
| 13632 319 321 341 343 3 | |
| 13633 322 321 341 342 3 | |
| 13634 322 321 341 343 3 | |
| 13635 323 321 341 342 3 | |
| 13636 323 321 341 343 3 | |
| 13637 321 323 326 327 3 | |
| 13638 321 323 326 328 3 | |
| 13639 321 323 326 329 3 | |
| 13640 324 323 326 327 3 | |
| 13641 324 323 326 328 3 | |
| 13642 324 323 326 329 3 | |
| 13643 325 323 326 327 3 | |
| 13644 325 323 326 328 3 | |
| 13645 325 323 326 329 3 | |
| 13646 323 326 329 330 3 | |
| 13647 323 326 329 331 3 | |
| 13648 323 326 329 332 3 | |
| 13649 327 326 329 330 3 | |
| 13650 327 326 329 331 3 | |
| 13651 327 326 329 332 3 | |
| 13652 328 326 329 330 3 | |
| 13653 328 326 329 331 3 | |
| 13654 328 326 329 332 3 | |
| 13655 326 329 332 333 3 | |
| 13656 326 329 332 334 3 | |
| 13657 330 329 332 333 3 | |
| 13658 330 329 332 334 3 | |
| 13659 331 329 332 333 3 | |
| 13660 331 329 332 334 3 | |
| 13661 329 332 334 335 3 | |
| 13662 329 332 334 338 3 | |
| 13663 333 332 334 335 3 | |
| 13664 333 332 334 338 3 | |
| 13665 332 334 335 336 3 | |
| 13666 332 334 335 337 3 | |
| 13667 338 334 335 336 3 | |
| 13668 338 334 335 337 3 | |
| 13669 332 334 338 339 3 | |
| 13670 332 334 338 340 3 | |
| 13671 335 334 338 339 3 | |
| 13672 335 334 338 340 3 | |
| 13673 321 341 343 344 3 | |
| 13674 321 341 343 345 3 | |
| 13675 342 341 343 344 3 | |
| 13676 342 341 343 345 3 | |
| 13677 341 343 345 346 3 | |
| 13678 341 343 345 347 3 | |
| 13679 341 343 345 348 3 | |
| 13680 344 343 345 346 3 | |
| 13681 344 343 345 347 3 | |
| 13682 344 343 345 348 3 | |
| 13683 343 345 348 349 3 | |
| 13684 343 345 348 350 3 | |
| 13685 346 345 348 349 3 | |
| 13686 346 345 348 350 3 | |
| 13687 347 345 348 349 3 | |
| 13688 347 345 348 350 3 | |
| 13689 345 348 350 351 3 | |
| 13690 345 348 350 352 3 | |
| 13691 349 348 350 351 3 | |
| 13692 349 348 350 352 3 | |
| 13693 348 350 352 353 3 | |
| 13694 348 350 352 354 3 | |
| 13695 348 350 352 369 3 | |
| 13696 351 350 352 353 3 | |
| 13697 351 350 352 354 3 | |
| 13698 351 350 352 369 3 | |
| 13699 350 352 354 355 3 | |
| 13700 350 352 354 356 3 | |
| 13701 350 352 354 357 3 | |
| 13702 353 352 354 355 3 | |
| 13703 353 352 354 356 3 | |
| 13704 353 352 354 357 3 | |
| 13705 369 352 354 355 3 | |
| 13706 369 352 354 356 3 | |
| 13707 369 352 354 357 3 | |
| 13708 350 352 369 370 3 | |
| 13709 350 352 369 371 3 | |
| 13710 353 352 369 370 3 | |
| 13711 353 352 369 371 3 | |
| 13712 354 352 369 370 3 | |
| 13713 354 352 369 371 3 | |
| 13714 352 354 357 358 3 | |
| 13715 352 354 357 360 3 | |
| 13716 355 354 357 358 3 | |
| 13717 355 354 357 360 3 | |
| 13718 356 354 357 358 3 | |
| 13719 356 354 357 360 3 | |
| 13720 354 357 358 359 3 | |
| 13721 354 357 358 362 3 | |
| 13722 360 357 358 359 3 | |
| 13723 360 357 358 362 3 | |
| 13724 354 357 360 361 3 | |
| 13725 354 357 360 364 3 | |
| 13726 358 357 360 361 3 | |
| 13727 358 357 360 364 3 | |
| 13728 357 358 362 363 3 | |
| 13729 357 358 362 366 3 | |
| 13730 359 358 362 363 3 | |
| 13731 359 358 362 366 3 | |
| 13732 357 360 364 365 3 | |
| 13733 357 360 364 366 3 | |
| 13734 361 360 364 365 3 | |
| 13735 361 360 364 366 3 | |
| 13736 358 362 366 364 3 | |
| 13737 358 362 366 367 3 | |
| 13738 363 362 366 364 3 | |
| 13739 363 362 366 367 3 | |
| 13740 360 364 366 362 3 | |
| 13741 360 364 366 367 3 | |
| 13742 365 364 366 362 3 | |
| 13743 365 364 366 367 3 | |
| 13744 362 366 367 368 3 | |
| 13745 364 366 367 368 3 | |
| 13746 352 369 371 372 3 | |
| 13747 352 369 371 373 3 | |
| 13748 370 369 371 372 3 | |
| 13749 370 369 371 373 3 | |
| 13750 369 371 373 374 3 | |
| 13751 369 371 373 375 3 | |
| 13752 369 371 373 380 3 | |
| 13753 372 371 373 374 3 | |
| 13754 372 371 373 375 3 | |
| 13755 372 371 373 380 3 | |
| 13756 371 373 375 378 3 dih_SER_THR_chi1_N_C_C_O | |
| 13757 380 373 375 378 3 dih_SER_THR_chi1_CO_C_C_O | |
| 13758 371 373 375 376 3 | |
| 13759 371 373 375 377 3 | |
| 13760 374 373 375 376 3 | |
| 13761 374 373 375 377 3 | |
| 13762 374 373 375 378 3 | |
| 13763 380 373 375 376 3 | |
| 13764 380 373 375 377 3 | |
| 13765 371 373 380 381 3 | |
| 13766 371 373 380 382 3 | |
| 13767 374 373 380 381 3 | |
| 13768 374 373 380 382 3 | |
| 13769 375 373 380 381 3 | |
| 13770 375 373 380 382 3 | |
| 13771 373 375 378 379 3 dih_SER_THR_chi2_C_C_OH_HO | |
| 13772 376 375 378 379 3 | |
| 13773 377 375 378 379 3 | |
| 13774 373 380 382 383 3 | |
| 13775 373 380 382 384 3 | |
| 13776 381 380 382 383 3 | |
| 13777 381 380 382 384 3 | |
| 13778 380 382 384 385 3 | |
| 13779 380 382 384 386 3 | |
| 13780 380 382 384 399 3 | |
| 13781 383 382 384 385 3 | |
| 13782 383 382 384 386 3 | |
| 13783 383 382 384 399 3 | |
| 13784 382 384 386 389 3 dih_LEU_chi1_N_C_C_C | |
| 13785 399 384 386 389 3 dih_LEU_chi1_C_C_C_CO | |
| 13786 382 384 386 387 3 | |
| 13787 382 384 386 388 3 | |
| 13788 385 384 386 387 3 | |
| 13789 385 384 386 388 3 | |
| 13790 385 384 386 389 3 | |
| 13791 399 384 386 387 3 | |
| 13792 399 384 386 388 3 | |
| 13793 382 384 399 400 3 | |
| 13794 382 384 399 401 3 | |
| 13795 385 384 399 400 3 | |
| 13796 385 384 399 401 3 | |
| 13797 386 384 399 400 3 | |
| 13798 386 384 399 401 3 | |
| 13799 384 386 389 390 3 | |
| 13800 384 386 389 391 3 | |
| 13801 384 386 389 395 3 | |
| 13802 387 386 389 390 3 | |
| 13803 387 386 389 391 3 | |
| 13804 387 386 389 395 3 | |
| 13805 388 386 389 390 3 | |
| 13806 388 386 389 391 3 | |
| 13807 388 386 389 395 3 | |
| 13808 386 389 391 392 3 | |
| 13809 386 389 391 393 3 | |
| 13810 386 389 391 394 3 | |
| 13811 390 389 391 392 3 | |
| 13812 390 389 391 393 3 | |
| 13813 390 389 391 394 3 | |
| 13814 395 389 391 392 3 | |
| 13815 395 389 391 393 3 | |
| 13816 395 389 391 394 3 | |
| 13817 386 389 395 396 3 | |
| 13818 386 389 395 397 3 | |
| 13819 386 389 395 398 3 | |
| 13820 390 389 395 396 3 | |
| 13821 390 389 395 397 3 | |
| 13822 390 389 395 398 3 | |
| 13823 391 389 395 396 3 | |
| 13824 391 389 395 397 3 | |
| 13825 391 389 395 398 3 | |
| 13826 384 399 401 402 3 | |
| 13827 384 399 401 403 3 | |
| 13828 400 399 401 402 3 | |
| 13829 400 399 401 403 3 | |
| 13830 399 401 403 404 3 | |
| 13831 399 401 403 405 3 | |
| 13832 399 401 403 406 3 | |
| 13833 402 401 403 404 3 | |
| 13834 402 401 403 405 3 | |
| 13835 402 401 403 406 3 | |
| 13836 401 403 406 407 3 | |
| 13837 401 403 406 408 3 | |
| 13838 404 403 406 407 3 | |
| 13839 404 403 406 408 3 | |
| 13840 405 403 406 407 3 | |
| 13841 405 403 406 408 3 | |
| 13842 403 406 408 409 3 | |
| 13843 403 406 408 410 3 | |
| 13844 407 406 408 409 3 | |
| 13845 407 406 408 410 3 | |
| 13846 406 408 410 411 3 | |
| 13847 406 408 410 412 3 | |
| 13848 406 408 410 420 3 | |
| 13849 409 408 410 411 3 | |
| 13850 409 408 410 412 3 | |
| 13851 409 408 410 420 3 | |
| 13852 408 410 412 415 3 dih_ASN_chi1_N_C_C_C | |
| 13853 420 410 412 415 3 dih_ASN_chi1_C_C_C_CO | |
| 13854 408 410 412 413 3 | |
| 13855 408 410 412 414 3 | |
| 13856 411 410 412 413 3 | |
| 13857 411 410 412 414 3 | |
| 13858 411 410 412 415 3 | |
| 13859 420 410 412 413 3 | |
| 13860 420 410 412 414 3 | |
| 13861 408 410 420 421 3 | |
| 13862 408 410 420 422 3 | |
| 13863 411 410 420 421 3 | |
| 13864 411 410 420 422 3 | |
| 13865 412 410 420 421 3 | |
| 13866 412 410 420 422 3 | |
| 13867 410 412 415 417 3 dih_ASN_chi2_C_C_CO_N | |
| 13868 410 412 415 416 3 | |
| 13869 413 412 415 416 3 | |
| 13870 413 412 415 417 3 | |
| 13871 414 412 415 416 3 | |
| 13872 414 412 415 417 3 | |
| 13873 412 415 417 418 3 | |
| 13874 412 415 417 419 3 | |
| 13875 416 415 417 418 3 | |
| 13876 416 415 417 419 3 | |
| 13877 410 420 422 423 3 | |
| 13878 410 420 422 424 3 | |
| 13879 421 420 422 423 3 | |
| 13880 421 420 422 424 3 | |
| 13881 420 422 424 425 3 | |
| 13882 420 422 424 426 3 | |
| 13883 420 422 424 444 3 | |
| 13884 423 422 424 425 3 | |
| 13885 423 422 424 426 3 | |
| 13886 423 422 424 444 3 | |
| 13887 422 424 426 429 3 dih_TRP_chi1_N_C_C_C | |
| 13888 444 424 426 429 3 dih_TRP_chi1_C_C_C_CO | |
| 13889 422 424 426 427 3 | |
| 13890 422 424 426 428 3 | |
| 13891 425 424 426 427 3 | |
| 13892 425 424 426 428 3 | |
| 13893 425 424 426 429 3 | |
| 13894 444 424 426 427 3 | |
| 13895 444 424 426 428 3 | |
| 13896 422 424 444 445 3 | |
| 13897 422 424 444 446 3 | |
| 13898 425 424 444 445 3 | |
| 13899 425 424 444 446 3 | |
| 13900 426 424 444 445 3 | |
| 13901 426 424 444 446 3 | |
| 13902 424 426 429 430 3 | |
| 13903 424 426 429 432 3 | |
| 13904 427 426 429 430 3 | |
| 13905 427 426 429 432 3 | |
| 13906 428 426 429 430 3 | |
| 13907 428 426 429 432 3 | |
| 13908 426 429 430 431 3 | |
| 13909 426 429 430 433 3 | |
| 13910 432 429 430 431 3 | |
| 13911 432 429 430 433 3 | |
| 13912 426 429 432 435 3 | |
| 13913 426 429 432 436 3 | |
| 13914 430 429 432 435 3 | |
| 13915 430 429 432 436 3 | |
| 13916 429 430 433 434 3 | |
| 13917 429 430 433 435 3 | |
| 13918 431 430 433 434 3 | |
| 13919 431 430 433 435 3 | |
| 13920 429 432 435 433 3 | |
| 13921 429 432 435 438 3 | |
| 13922 436 432 435 433 3 | |
| 13923 436 432 435 438 3 | |
| 13924 429 432 436 437 3 | |
| 13925 429 432 436 440 3 | |
| 13926 435 432 436 437 3 | |
| 13927 435 432 436 440 3 | |
| 13928 430 433 435 432 3 | |
| 13929 430 433 435 438 3 | |
| 13930 434 433 435 432 3 | |
| 13931 434 433 435 438 3 | |
| 13932 432 435 438 439 3 | |
| 13933 432 435 438 442 3 | |
| 13934 433 435 438 439 3 | |
| 13935 433 435 438 442 3 | |
| 13936 432 436 440 441 3 | |
| 13937 432 436 440 442 3 | |
| 13938 437 436 440 441 3 | |
| 13939 437 436 440 442 3 | |
| 13940 435 438 442 440 3 | |
| 13941 435 438 442 443 3 | |
| 13942 439 438 442 440 3 | |
| 13943 439 438 442 443 3 | |
| 13944 436 440 442 438 3 | |
| 13945 436 440 442 443 3 | |
| 13946 441 440 442 438 3 | |
| 13947 441 440 442 443 3 | |
| 13948 424 444 446 447 3 | |
| 13949 424 444 446 448 3 | |
| 13950 445 444 446 447 3 | |
| 13951 445 444 446 448 3 | |
| 13952 444 446 448 449 3 | |
| 13953 444 446 448 450 3 | |
| 13954 444 446 448 460 3 | |
| 13955 447 446 448 449 3 | |
| 13956 447 446 448 450 3 | |
| 13957 447 446 448 460 3 | |
| 13958 446 448 450 452 3 dih_VAL_chi1_N_C_C_C | |
| 13959 446 448 450 456 3 dih_VAL_chi1_N_C_C_C | |
| 13960 460 448 450 452 3 dih_VAL_chi1_C_C_C_CO | |
| 13961 460 448 450 456 3 dih_VAL_chi1_C_C_C_CO | |
| 13962 446 448 450 451 3 | |
| 13963 449 448 450 451 3 | |
| 13964 449 448 450 452 3 | |
| 13965 449 448 450 456 3 | |
| 13966 460 448 450 451 3 | |
| 13967 446 448 460 461 3 | |
| 13968 446 448 460 462 3 | |
| 13969 449 448 460 461 3 | |
| 13970 449 448 460 462 3 | |
| 13971 450 448 460 461 3 | |
| 13972 450 448 460 462 3 | |
| 13973 448 450 452 453 3 | |
| 13974 448 450 452 454 3 | |
| 13975 448 450 452 455 3 | |
| 13976 451 450 452 453 3 | |
| 13977 451 450 452 454 3 | |
| 13978 451 450 452 455 3 | |
| 13979 456 450 452 453 3 | |
| 13980 456 450 452 454 3 | |
| 13981 456 450 452 455 3 | |
| 13982 448 450 456 457 3 | |
| 13983 448 450 456 458 3 | |
| 13984 448 450 456 459 3 | |
| 13985 451 450 456 457 3 | |
| 13986 451 450 456 458 3 | |
| 13987 451 450 456 459 3 | |
| 13988 452 450 456 457 3 | |
| 13989 452 450 456 458 3 | |
| 13990 452 450 456 459 3 | |
| 13991 448 460 462 463 3 | |
| 13992 448 460 462 464 3 | |
| 13993 461 460 462 463 3 | |
| 13994 461 460 462 464 3 | |
| 13995 460 462 464 465 3 | |
| 13996 460 462 464 466 3 | |
| 13997 460 462 464 470 3 | |
| 13998 463 462 464 465 3 | |
| 13999 463 462 464 466 3 | |
| 14000 463 462 464 470 3 | |
| 14001 462 464 466 469 3 dih_CYS_chi1_N_C_C_S | |
| 14002 470 464 466 469 3 dih_CYS_chi1_CO_C_C_S | |
| 14003 462 464 466 467 3 | |
| 14004 462 464 466 468 3 | |
| 14005 465 464 466 467 3 | |
| 14006 465 464 466 468 3 | |
| 14007 465 464 466 469 3 | |
| 14008 470 464 466 467 3 | |
| 14009 470 464 466 468 3 | |
| 14010 462 464 470 471 3 | |
| 14011 462 464 470 472 3 | |
| 14012 465 464 470 471 3 | |
| 14013 465 464 470 472 3 | |
| 14014 466 464 470 471 3 | |
| 14015 466 464 470 472 3 | |
| 14016 464 466 469 1732 3 | |
| 14017 467 466 469 1732 3 | |
| 14018 468 466 469 1732 3 | |
| 14019 466 469 1732 1729 3 | |
| 14020 464 470 472 473 3 | |
| 14021 464 470 472 474 3 | |
| 14022 471 470 472 473 3 | |
| 14023 471 470 472 474 3 | |
| 14024 470 472 474 475 3 | |
| 14025 470 472 474 476 3 | |
| 14026 470 472 474 480 3 | |
| 14027 473 472 474 475 3 | |
| 14028 473 472 474 476 3 | |
| 14029 473 472 474 480 3 | |
| 14030 472 474 476 477 3 | |
| 14031 472 474 476 478 3 | |
| 14032 472 474 476 479 3 | |
| 14033 475 474 476 477 3 | |
| 14034 475 474 476 478 3 | |
| 14035 475 474 476 479 3 | |
| 14036 480 474 476 477 3 | |
| 14037 480 474 476 478 3 | |
| 14038 480 474 476 479 3 | |
| 14039 472 474 480 481 3 | |
| 14040 472 474 480 482 3 | |
| 14041 475 474 480 481 3 | |
| 14042 475 474 480 482 3 | |
| 14043 476 474 480 481 3 | |
| 14044 476 474 480 482 3 | |
| 14045 474 480 482 483 3 | |
| 14046 474 480 482 484 3 | |
| 14047 481 480 482 483 3 | |
| 14048 481 480 482 484 3 | |
| 14049 480 482 484 485 3 | |
| 14050 480 482 484 486 3 | |
| 14051 480 482 484 490 3 | |
| 14052 483 482 484 485 3 | |
| 14053 483 482 484 486 3 | |
| 14054 483 482 484 490 3 | |
| 14055 482 484 486 487 3 | |
| 14056 482 484 486 488 3 | |
| 14057 482 484 486 489 3 | |
| 14058 485 484 486 487 3 | |
| 14059 485 484 486 488 3 | |
| 14060 485 484 486 489 3 | |
| 14061 490 484 486 487 3 | |
| 14062 490 484 486 488 3 | |
| 14063 490 484 486 489 3 | |
| 14064 482 484 490 491 3 | |
| 14065 482 484 490 492 3 | |
| 14066 485 484 490 491 3 | |
| 14067 485 484 490 492 3 | |
| 14068 486 484 490 491 3 | |
| 14069 486 484 490 492 3 | |
| 14070 484 490 492 493 3 | |
| 14071 484 490 492 494 3 | |
| 14072 491 490 492 493 3 | |
| 14073 491 490 492 494 3 | |
| 14074 490 492 494 495 3 | |
| 14075 490 492 494 496 3 | |
| 14076 490 492 494 512 3 | |
| 14077 493 492 494 495 3 | |
| 14078 493 492 494 496 3 | |
| 14079 493 492 494 512 3 | |
| 14080 492 494 496 499 3 dih_LYS_chi1_N_C_C_C | |
| 14081 512 494 496 499 3 dih_LYS_chi1_C_C_C_CO | |
| 14082 492 494 496 497 3 | |
| 14083 492 494 496 498 3 | |
| 14084 495 494 496 497 3 | |
| 14085 495 494 496 498 3 | |
| 14086 495 494 496 499 3 | |
| 14087 512 494 496 497 3 | |
| 14088 512 494 496 498 3 | |
| 14089 492 494 512 513 3 | |
| 14090 492 494 512 514 3 | |
| 14091 495 494 512 513 3 | |
| 14092 495 494 512 514 3 | |
| 14093 496 494 512 513 3 | |
| 14094 496 494 512 514 3 | |
| 14095 494 496 499 500 3 | |
| 14096 494 496 499 501 3 | |
| 14097 494 496 499 502 3 | |
| 14098 497 496 499 500 3 | |
| 14099 497 496 499 501 3 | |
| 14100 497 496 499 502 3 | |
| 14101 498 496 499 500 3 | |
| 14102 498 496 499 501 3 | |
| 14103 498 496 499 502 3 | |
| 14104 496 499 502 503 3 | |
| 14105 496 499 502 504 3 | |
| 14106 496 499 502 505 3 | |
| 14107 500 499 502 503 3 | |
| 14108 500 499 502 504 3 | |
| 14109 500 499 502 505 3 | |
| 14110 501 499 502 503 3 | |
| 14111 501 499 502 504 3 | |
| 14112 501 499 502 505 3 | |
| 14113 499 502 505 506 3 | |
| 14114 499 502 505 507 3 | |
| 14115 499 502 505 508 3 | |
| 14116 503 502 505 506 3 | |
| 14117 503 502 505 507 3 | |
| 14118 503 502 505 508 3 | |
| 14119 504 502 505 506 3 | |
| 14120 504 502 505 507 3 | |
| 14121 504 502 505 508 3 | |
| 14122 502 505 508 509 3 dih_LYS_chi5_C_C_N_H | |
| 14123 502 505 508 510 3 dih_LYS_chi5_C_C_N_H | |
| 14124 502 505 508 511 3 dih_LYS_chi5_C_C_N_H | |
| 14125 506 505 508 509 3 | |
| 14126 506 505 508 510 3 | |
| 14127 506 505 508 511 3 | |
| 14128 507 505 508 509 3 | |
| 14129 507 505 508 510 3 | |
| 14130 507 505 508 511 3 | |
| 14131 494 512 514 515 3 | |
| 14132 494 512 514 516 3 | |
| 14133 513 512 514 515 3 | |
| 14134 513 512 514 516 3 | |
| 14135 512 514 516 517 3 | |
| 14136 512 514 516 518 3 | |
| 14137 512 514 516 532 3 | |
| 14138 515 514 516 517 3 | |
| 14139 515 514 516 518 3 | |
| 14140 515 514 516 532 3 | |
| 14141 514 516 518 519 3 | |
| 14142 514 516 518 520 3 | |
| 14143 514 516 518 521 3 | |
| 14144 517 516 518 519 3 | |
| 14145 517 516 518 520 3 | |
| 14146 517 516 518 521 3 | |
| 14147 532 516 518 519 3 | |
| 14148 532 516 518 520 3 | |
| 14149 532 516 518 521 3 | |
| 14150 514 516 532 533 3 | |
| 14151 514 516 532 534 3 | |
| 14152 517 516 532 533 3 | |
| 14153 517 516 532 534 3 | |
| 14154 518 516 532 533 3 | |
| 14155 518 516 532 534 3 | |
| 14156 516 518 521 522 3 | |
| 14157 516 518 521 524 3 | |
| 14158 519 518 521 522 3 | |
| 14159 519 518 521 524 3 | |
| 14160 520 518 521 522 3 | |
| 14161 520 518 521 524 3 | |
| 14162 518 521 522 523 3 | |
| 14163 518 521 522 526 3 | |
| 14164 524 521 522 523 3 | |
| 14165 524 521 522 526 3 | |
| 14166 518 521 524 525 3 | |
| 14167 518 521 524 528 3 | |
| 14168 522 521 524 525 3 | |
| 14169 522 521 524 528 3 | |
| 14170 521 522 526 527 3 | |
| 14171 521 522 526 530 3 | |
| 14172 523 522 526 527 3 | |
| 14173 523 522 526 530 3 | |
| 14174 521 524 528 529 3 | |
| 14175 521 524 528 530 3 | |
| 14176 525 524 528 529 3 | |
| 14177 525 524 528 530 3 | |
| 14178 522 526 530 528 3 | |
| 14179 522 526 530 531 3 | |
| 14180 527 526 530 528 3 | |
| 14181 527 526 530 531 3 | |
| 14182 524 528 530 526 3 | |
| 14183 524 528 530 531 3 | |
| 14184 529 528 530 526 3 | |
| 14185 529 528 530 531 3 | |
| 14186 516 532 534 535 3 | |
| 14187 516 532 534 536 3 | |
| 14188 533 532 534 535 3 | |
| 14189 533 532 534 536 3 | |
| 14190 532 534 536 537 3 | |
| 14191 532 534 536 538 3 | |
| 14192 532 534 536 547 3 | |
| 14193 535 534 536 537 3 | |
| 14194 535 534 536 538 3 | |
| 14195 535 534 536 547 3 | |
| 14196 534 536 538 541 3 dih_GLU_chi1_N_C_C_C | |
| 14197 547 536 538 541 3 dih_GLU_chi1_C_C_C_CO | |
| 14198 534 536 538 539 3 | |
| 14199 534 536 538 540 3 | |
| 14200 537 536 538 539 3 | |
| 14201 537 536 538 540 3 | |
| 14202 537 536 538 541 3 | |
| 14203 547 536 538 539 3 | |
| 14204 547 536 538 540 3 | |
| 14205 534 536 547 548 3 | |
| 14206 534 536 547 549 3 | |
| 14207 537 536 547 548 3 | |
| 14208 537 536 547 549 3 | |
| 14209 538 536 547 548 3 | |
| 14210 538 536 547 549 3 | |
| 14211 536 538 541 542 3 | |
| 14212 536 538 541 543 3 | |
| 14213 536 538 541 544 3 | |
| 14214 539 538 541 542 3 | |
| 14215 539 538 541 543 3 | |
| 14216 539 538 541 544 3 | |
| 14217 540 538 541 542 3 | |
| 14218 540 538 541 543 3 | |
| 14219 540 538 541 544 3 | |
| 14220 538 541 544 545 3 | |
| 14221 538 541 544 546 3 | |
| 14222 542 541 544 545 3 | |
| 14223 542 541 544 546 3 | |
| 14224 543 541 544 545 3 | |
| 14225 543 541 544 546 3 | |
| 14226 536 547 549 550 3 | |
| 14227 536 547 549 551 3 | |
| 14228 548 547 549 550 3 | |
| 14229 548 547 549 551 3 | |
| 14230 547 549 551 552 3 | |
| 14231 547 549 551 553 3 | |
| 14232 547 549 551 558 3 | |
| 14233 550 549 551 552 3 | |
| 14234 550 549 551 553 3 | |
| 14235 550 549 551 558 3 | |
| 14236 549 551 553 556 3 dih_SER_THR_chi1_N_C_C_O | |
| 14237 558 551 553 556 3 dih_SER_THR_chi1_CO_C_C_O | |
| 14238 549 551 553 554 3 | |
| 14239 549 551 553 555 3 | |
| 14240 552 551 553 554 3 | |
| 14241 552 551 553 555 3 | |
| 14242 552 551 553 556 3 | |
| 14243 558 551 553 554 3 | |
| 14244 558 551 553 555 3 | |
| 14245 549 551 558 559 3 | |
| 14246 549 551 558 560 3 | |
| 14247 552 551 558 559 3 | |
| 14248 552 551 558 560 3 | |
| 14249 553 551 558 559 3 | |
| 14250 553 551 558 560 3 | |
| 14251 551 553 556 557 3 dih_SER_THR_chi2_C_C_OH_HO | |
| 14252 554 553 556 557 3 | |
| 14253 555 553 556 557 3 | |
| 14254 551 558 560 561 3 | |
| 14255 551 558 560 562 3 | |
| 14256 559 558 560 561 3 | |
| 14257 559 558 560 562 3 | |
| 14258 558 560 562 563 3 | |
| 14259 558 560 562 564 3 | |
| 14260 558 560 562 572 3 | |
| 14261 561 560 562 563 3 | |
| 14262 561 560 562 564 3 | |
| 14263 561 560 562 572 3 | |
| 14264 560 562 564 567 3 dih_ASN_chi1_N_C_C_C | |
| 14265 572 562 564 567 3 dih_ASN_chi1_C_C_C_CO | |
| 14266 560 562 564 565 3 | |
| 14267 560 562 564 566 3 | |
| 14268 563 562 564 565 3 | |
| 14269 563 562 564 566 3 | |
| 14270 563 562 564 567 3 | |
| 14271 572 562 564 565 3 | |
| 14272 572 562 564 566 3 | |
| 14273 560 562 572 573 3 | |
| 14274 560 562 572 574 3 | |
| 14275 563 562 572 573 3 | |
| 14276 563 562 572 574 3 | |
| 14277 564 562 572 573 3 | |
| 14278 564 562 572 574 3 | |
| 14279 562 564 567 569 3 dih_ASN_chi2_C_C_CO_N | |
| 14280 562 564 567 568 3 | |
| 14281 565 564 567 568 3 | |
| 14282 565 564 567 569 3 | |
| 14283 566 564 567 568 3 | |
| 14284 566 564 567 569 3 | |
| 14285 564 567 569 570 3 | |
| 14286 564 567 569 571 3 | |
| 14287 568 567 569 570 3 | |
| 14288 568 567 569 571 3 | |
| 14289 562 572 574 575 3 | |
| 14290 562 572 574 576 3 | |
| 14291 573 572 574 575 3 | |
| 14292 573 572 574 576 3 | |
| 14293 572 574 576 577 3 | |
| 14294 572 574 576 578 3 | |
| 14295 572 574 576 592 3 | |
| 14296 575 574 576 577 3 | |
| 14297 575 574 576 578 3 | |
| 14298 575 574 576 592 3 | |
| 14299 574 576 578 579 3 | |
| 14300 574 576 578 580 3 | |
| 14301 574 576 578 581 3 | |
| 14302 577 576 578 579 3 | |
| 14303 577 576 578 580 3 | |
| 14304 577 576 578 581 3 | |
| 14305 592 576 578 579 3 | |
| 14306 592 576 578 580 3 | |
| 14307 592 576 578 581 3 | |
| 14308 574 576 592 593 3 | |
| 14309 574 576 592 594 3 | |
| 14310 577 576 592 593 3 | |
| 14311 577 576 592 594 3 | |
| 14312 578 576 592 593 3 | |
| 14313 578 576 592 594 3 | |
| 14314 576 578 581 582 3 | |
| 14315 576 578 581 584 3 | |
| 14316 579 578 581 582 3 | |
| 14317 579 578 581 584 3 | |
| 14318 580 578 581 582 3 | |
| 14319 580 578 581 584 3 | |
| 14320 578 581 582 583 3 | |
| 14321 578 581 582 586 3 | |
| 14322 584 581 582 583 3 | |
| 14323 584 581 582 586 3 | |
| 14324 578 581 584 585 3 | |
| 14325 578 581 584 588 3 | |
| 14326 582 581 584 585 3 | |
| 14327 582 581 584 588 3 | |
| 14328 581 582 586 587 3 | |
| 14329 581 582 586 590 3 | |
| 14330 583 582 586 587 3 | |
| 14331 583 582 586 590 3 | |
| 14332 581 584 588 589 3 | |
| 14333 581 584 588 590 3 | |
| 14334 585 584 588 589 3 | |
| 14335 585 584 588 590 3 | |
| 14336 582 586 590 588 3 | |
| 14337 582 586 590 591 3 | |
| 14338 587 586 590 588 3 | |
| 14339 587 586 590 591 3 | |
| 14340 584 588 590 586 3 | |
| 14341 584 588 590 591 3 | |
| 14342 589 588 590 586 3 | |
| 14343 589 588 590 591 3 | |
| 14344 576 592 594 595 3 | |
| 14345 576 592 594 596 3 | |
| 14346 593 592 594 595 3 | |
| 14347 593 592 594 596 3 | |
| 14348 592 594 596 597 3 | |
| 14349 592 594 596 598 3 | |
| 14350 592 594 596 606 3 | |
| 14351 595 594 596 597 3 | |
| 14352 595 594 596 598 3 | |
| 14353 595 594 596 606 3 | |
| 14354 594 596 598 601 3 dih_ASN_chi1_N_C_C_C | |
| 14355 606 596 598 601 3 dih_ASN_chi1_C_C_C_CO | |
| 14356 594 596 598 599 3 | |
| 14357 594 596 598 600 3 | |
| 14358 597 596 598 599 3 | |
| 14359 597 596 598 600 3 | |
| 14360 597 596 598 601 3 | |
| 14361 606 596 598 599 3 | |
| 14362 606 596 598 600 3 | |
| 14363 594 596 606 607 3 | |
| 14364 594 596 606 608 3 | |
| 14365 597 596 606 607 3 | |
| 14366 597 596 606 608 3 | |
| 14367 598 596 606 607 3 | |
| 14368 598 596 606 608 3 | |
| 14369 596 598 601 603 3 dih_ASN_chi2_C_C_CO_N | |
| 14370 596 598 601 602 3 | |
| 14371 599 598 601 602 3 | |
| 14372 599 598 601 603 3 | |
| 14373 600 598 601 602 3 | |
| 14374 600 598 601 603 3 | |
| 14375 598 601 603 604 3 | |
| 14376 598 601 603 605 3 | |
| 14377 602 601 603 604 3 | |
| 14378 602 601 603 605 3 | |
| 14379 596 606 608 609 3 | |
| 14380 596 606 608 610 3 | |
| 14381 607 606 608 609 3 | |
| 14382 607 606 608 610 3 | |
| 14383 606 608 610 611 3 | |
| 14384 606 608 610 612 3 | |
| 14385 606 608 610 620 3 | |
| 14386 609 608 610 611 3 | |
| 14387 609 608 610 612 3 | |
| 14388 609 608 610 620 3 | |
| 14389 608 610 612 614 3 dih_SER_THR_chi1_N_C_C_O | |
| 14390 620 610 612 614 3 dih_SER_THR_chi1_CO_C_C_O | |
| 14391 608 610 612 613 3 | |
| 14392 608 610 612 616 3 | |
| 14393 611 610 612 613 3 | |
| 14394 611 610 612 614 3 | |
| 14395 611 610 612 616 3 | |
| 14396 620 610 612 613 3 | |
| 14397 620 610 612 616 3 | |
| 14398 608 610 620 621 3 | |
| 14399 608 610 620 622 3 | |
| 14400 611 610 620 621 3 | |
| 14401 611 610 620 622 3 | |
| 14402 612 610 620 621 3 | |
| 14403 612 610 620 622 3 | |
| 14404 610 612 614 615 3 dih_SER_THR_chi2_C_C_OH_HO | |
| 14405 613 612 614 615 3 | |
| 14406 616 612 614 615 3 | |
| 14407 610 612 616 617 3 | |
| 14408 610 612 616 618 3 | |
| 14409 610 612 616 619 3 | |
| 14410 613 612 616 617 3 | |
| 14411 613 612 616 618 3 | |
| 14412 613 612 616 619 3 | |
| 14413 614 612 616 617 3 | |
| 14414 614 612 616 618 3 | |
| 14415 614 612 616 619 3 | |
| 14416 610 620 622 623 3 | |
| 14417 610 620 622 624 3 | |
| 14418 621 620 622 623 3 | |
| 14419 621 620 622 624 3 | |
| 14420 620 622 624 625 3 | |
| 14421 620 622 624 626 3 | |
| 14422 620 622 624 637 3 | |
| 14423 623 622 624 625 3 | |
| 14424 623 622 624 626 3 | |
| 14425 623 622 624 637 3 | |
| 14426 622 624 626 629 3 dih_GLN_chi1_N_C_C_C | |
| 14427 637 624 626 629 3 dih_GLN_chi1_C_C_C_CO | |
| 14428 622 624 626 627 3 | |
| 14429 622 624 626 628 3 | |
| 14430 625 624 626 627 3 | |
| 14431 625 624 626 628 3 | |
| 14432 625 624 626 629 3 | |
| 14433 637 624 626 627 3 | |
| 14434 637 624 626 628 3 | |
| 14435 622 624 637 638 3 | |
| 14436 622 624 637 639 3 | |
| 14437 625 624 637 638 3 | |
| 14438 625 624 637 639 3 | |
| 14439 626 624 637 638 3 | |
| 14440 626 624 637 639 3 | |
| 14441 624 626 629 630 3 | |
| 14442 624 626 629 631 3 | |
| 14443 624 626 629 632 3 | |
| 14444 627 626 629 630 3 | |
| 14445 627 626 629 631 3 | |
| 14446 627 626 629 632 3 | |
| 14447 628 626 629 630 3 | |
| 14448 628 626 629 631 3 | |
| 14449 628 626 629 632 3 | |
| 14450 626 629 632 634 3 dih_GLN_chi3_C_C_CO_N | |
| 14451 626 629 632 633 3 | |
| 14452 630 629 632 633 3 | |
| 14453 630 629 632 634 3 | |
| 14454 631 629 632 633 3 | |
| 14455 631 629 632 634 3 | |
| 14456 629 632 634 635 3 | |
| 14457 629 632 634 636 3 | |
| 14458 633 632 634 635 3 | |
| 14459 633 632 634 636 3 | |
| 14460 624 637 639 640 3 | |
| 14461 624 637 639 641 3 | |
| 14462 638 637 639 640 3 | |
| 14463 638 637 639 641 3 | |
| 14464 637 639 641 642 3 | |
| 14465 637 639 641 643 3 | |
| 14466 637 639 641 647 3 | |
| 14467 640 639 641 642 3 | |
| 14468 640 639 641 643 3 | |
| 14469 640 639 641 647 3 | |
| 14470 639 641 643 644 3 | |
| 14471 639 641 643 645 3 | |
| 14472 639 641 643 646 3 | |
| 14473 642 641 643 644 3 | |
| 14474 642 641 643 645 3 | |
| 14475 642 641 643 646 3 | |
| 14476 647 641 643 644 3 | |
| 14477 647 641 643 645 3 | |
| 14478 647 641 643 646 3 | |
| 14479 639 641 647 648 3 | |
| 14480 639 641 647 649 3 | |
| 14481 642 641 647 648 3 | |
| 14482 642 641 647 649 3 | |
| 14483 643 641 647 648 3 | |
| 14484 643 641 647 649 3 | |
| 14485 641 647 649 650 3 | |
| 14486 641 647 649 651 3 | |
| 14487 648 647 649 650 3 | |
| 14488 648 647 649 651 3 | |
| 14489 647 649 651 652 3 | |
| 14490 647 649 651 653 3 | |
| 14491 647 649 651 661 3 | |
| 14492 650 649 651 652 3 | |
| 14493 650 649 651 653 3 | |
| 14494 650 649 651 661 3 | |
| 14495 649 651 653 655 3 dih_SER_THR_chi1_N_C_C_O | |
| 14496 661 651 653 655 3 dih_SER_THR_chi1_CO_C_C_O | |
| 14497 649 651 653 654 3 | |
| 14498 649 651 653 657 3 | |
| 14499 652 651 653 654 3 | |
| 14500 652 651 653 655 3 | |
| 14501 652 651 653 657 3 | |
| 14502 661 651 653 654 3 | |
| 14503 661 651 653 657 3 | |
| 14504 649 651 661 662 3 | |
| 14505 649 651 661 663 3 | |
| 14506 652 651 661 662 3 | |
| 14507 652 651 661 663 3 | |
| 14508 653 651 661 662 3 | |
| 14509 653 651 661 663 3 | |
| 14510 651 653 655 656 3 dih_SER_THR_chi2_C_C_OH_HO | |
| 14511 654 653 655 656 3 | |
| 14512 657 653 655 656 3 | |
| 14513 651 653 657 658 3 | |
| 14514 651 653 657 659 3 | |
| 14515 651 653 657 660 3 | |
| 14516 654 653 657 658 3 | |
| 14517 654 653 657 659 3 | |
| 14518 654 653 657 660 3 | |
| 14519 655 653 657 658 3 | |
| 14520 655 653 657 659 3 | |
| 14521 655 653 657 660 3 | |
| 14522 651 661 663 664 3 | |
| 14523 651 661 663 665 3 | |
| 14524 662 661 663 664 3 | |
| 14525 662 661 663 665 3 | |
| 14526 661 663 665 666 3 | |
| 14527 661 663 665 667 3 | |
| 14528 661 663 665 675 3 | |
| 14529 664 663 665 666 3 | |
| 14530 664 663 665 667 3 | |
| 14531 664 663 665 675 3 | |
| 14532 663 665 667 670 3 dih_ASN_chi1_N_C_C_C | |
| 14533 675 665 667 670 3 dih_ASN_chi1_C_C_C_CO | |
| 14534 663 665 667 668 3 | |
| 14535 663 665 667 669 3 | |
| 14536 666 665 667 668 3 | |
| 14537 666 665 667 669 3 | |
| 14538 666 665 667 670 3 | |
| 14539 675 665 667 668 3 | |
| 14540 675 665 667 669 3 | |
| 14541 663 665 675 676 3 | |
| 14542 663 665 675 677 3 | |
| 14543 666 665 675 676 3 | |
| 14544 666 665 675 677 3 | |
| 14545 667 665 675 676 3 | |
| 14546 667 665 675 677 3 | |
| 14547 665 667 670 672 3 dih_ASN_chi2_C_C_CO_N | |
| 14548 665 667 670 671 3 | |
| 14549 668 667 670 671 3 | |
| 14550 668 667 670 672 3 | |
| 14551 669 667 670 671 3 | |
| 14552 669 667 670 672 3 | |
| 14553 667 670 672 673 3 | |
| 14554 667 670 672 674 3 | |
| 14555 671 670 672 673 3 | |
| 14556 671 670 672 674 3 | |
| 14557 665 675 677 678 3 | |
| 14558 665 675 677 679 3 | |
| 14559 676 675 677 678 3 | |
| 14560 676 675 677 679 3 | |
| 14561 675 677 679 680 3 | |
| 14562 675 677 679 681 3 | |
| 14563 675 677 679 699 3 | |
| 14564 678 677 679 680 3 | |
| 14565 678 677 679 681 3 | |
| 14566 678 677 679 699 3 | |
| 14567 677 679 681 684 3 dih_ARG_chi1_N_C_C_C | |
| 14568 699 679 681 684 3 dih_ARG_chi1_C_C_C_CO | |
| 14569 677 679 681 682 3 | |
| 14570 677 679 681 683 3 | |
| 14571 680 679 681 682 3 | |
| 14572 680 679 681 683 3 | |
| 14573 680 679 681 684 3 | |
| 14574 699 679 681 682 3 | |
| 14575 699 679 681 683 3 | |
| 14576 677 679 699 700 3 | |
| 14577 677 679 699 701 3 | |
| 14578 680 679 699 700 3 | |
| 14579 680 679 699 701 3 | |
| 14580 681 679 699 700 3 | |
| 14581 681 679 699 701 3 | |
| 14582 679 681 684 685 3 | |
| 14583 679 681 684 686 3 | |
| 14584 679 681 684 687 3 | |
| 14585 682 681 684 685 3 | |
| 14586 682 681 684 686 3 | |
| 14587 682 681 684 687 3 | |
| 14588 683 681 684 685 3 | |
| 14589 683 681 684 686 3 | |
| 14590 683 681 684 687 3 | |
| 14591 681 684 687 688 3 | |
| 14592 681 684 687 689 3 | |
| 14593 681 684 687 690 3 | |
| 14594 685 684 687 688 3 | |
| 14595 685 684 687 689 3 | |
| 14596 685 684 687 690 3 | |
| 14597 686 684 687 688 3 | |
| 14598 686 684 687 689 3 | |
| 14599 686 684 687 690 3 | |
| 14600 684 687 690 691 3 | |
| 14601 684 687 690 692 3 | |
| 14602 688 687 690 691 3 | |
| 14603 688 687 690 692 3 | |
| 14604 689 687 690 691 3 | |
| 14605 689 687 690 692 3 | |
| 14606 687 690 692 693 3 | |
| 14607 687 690 692 696 3 | |
| 14608 691 690 692 693 3 | |
| 14609 691 690 692 696 3 | |
| 14610 690 692 693 694 3 | |
| 14611 690 692 693 695 3 | |
| 14612 696 692 693 694 3 | |
| 14613 696 692 693 695 3 | |
| 14614 690 692 696 697 3 | |
| 14615 690 692 696 698 3 | |
| 14616 693 692 696 697 3 | |
| 14617 693 692 696 698 3 | |
| 14618 679 699 701 702 3 | |
| 14619 679 699 701 703 3 | |
| 14620 700 699 701 702 3 | |
| 14621 700 699 701 703 3 | |
| 14622 699 701 703 704 3 | |
| 14623 699 701 703 705 3 | |
| 14624 699 701 703 713 3 | |
| 14625 702 701 703 704 3 | |
| 14626 702 701 703 705 3 | |
| 14627 702 701 703 713 3 | |
| 14628 701 703 705 708 3 dih_ASN_chi1_N_C_C_C | |
| 14629 713 703 705 708 3 dih_ASN_chi1_C_C_C_CO | |
| 14630 701 703 705 706 3 | |
| 14631 701 703 705 707 3 | |
| 14632 704 703 705 706 3 | |
| 14633 704 703 705 707 3 | |
| 14634 704 703 705 708 3 | |
| 14635 713 703 705 706 3 | |
| 14636 713 703 705 707 3 | |
| 14637 701 703 713 714 3 | |
| 14638 701 703 713 715 3 | |
| 14639 704 703 713 714 3 | |
| 14640 704 703 713 715 3 | |
| 14641 705 703 713 714 3 | |
| 14642 705 703 713 715 3 | |
| 14643 703 705 708 710 3 dih_ASN_chi2_C_C_CO_N | |
| 14644 703 705 708 709 3 | |
| 14645 706 705 708 709 3 | |
| 14646 706 705 708 710 3 | |
| 14647 707 705 708 709 3 | |
| 14648 707 705 708 710 3 | |
| 14649 705 708 710 711 3 | |
| 14650 705 708 710 712 3 | |
| 14651 709 708 710 711 3 | |
| 14652 709 708 710 712 3 | |
| 14653 703 713 715 716 3 | |
| 14654 703 713 715 717 3 | |
| 14655 714 713 715 716 3 | |
| 14656 714 713 715 717 3 | |
| 14657 713 715 717 718 3 | |
| 14658 713 715 717 719 3 | |
| 14659 713 715 717 727 3 | |
| 14660 716 715 717 718 3 | |
| 14661 716 715 717 719 3 | |
| 14662 716 715 717 727 3 | |
| 14663 715 717 719 721 3 dih_SER_THR_chi1_N_C_C_O | |
| 14664 727 717 719 721 3 dih_SER_THR_chi1_CO_C_C_O | |
| 14665 715 717 719 720 3 | |
| 14666 715 717 719 723 3 | |
| 14667 718 717 719 720 3 | |
| 14668 718 717 719 721 3 | |
| 14669 718 717 719 723 3 | |
| 14670 727 717 719 720 3 | |
| 14671 727 717 719 723 3 | |
| 14672 715 717 727 728 3 | |
| 14673 715 717 727 729 3 | |
| 14674 718 717 727 728 3 | |
| 14675 718 717 727 729 3 | |
| 14676 719 717 727 728 3 | |
| 14677 719 717 727 729 3 | |
| 14678 717 719 721 722 3 dih_SER_THR_chi2_C_C_OH_HO | |
| 14679 720 719 721 722 3 | |
| 14680 723 719 721 722 3 | |
| 14681 717 719 723 724 3 | |
| 14682 717 719 723 725 3 | |
| 14683 717 719 723 726 3 | |
| 14684 720 719 723 724 3 | |
| 14685 720 719 723 725 3 | |
| 14686 720 719 723 726 3 | |
| 14687 721 719 723 724 3 | |
| 14688 721 719 723 725 3 | |
| 14689 721 719 723 726 3 | |
| 14690 717 727 729 730 3 | |
| 14691 717 727 729 731 3 | |
| 14692 728 727 729 730 3 | |
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| 14694 727 729 731 732 3 | |
| 14695 727 729 731 733 3 | |
| 14696 727 729 731 739 3 | |
| 14697 730 729 731 732 3 | |
| 14698 730 729 731 733 3 | |
| 14699 730 729 731 739 3 | |
| 14700 729 731 733 736 3 dih_ASP_chi1_N_C_C_C | |
| 14701 739 731 733 736 3 dih_ASP_chi1_C_C_C_CO | |
| 14702 729 731 733 734 3 | |
| 14703 729 731 733 735 3 | |
| 14704 732 731 733 734 3 | |
| 14705 732 731 733 735 3 | |
| 14706 732 731 733 736 3 | |
| 14707 739 731 733 734 3 | |
| 14708 739 731 733 735 3 | |
| 14709 729 731 739 740 3 | |
| 14710 729 731 739 741 3 | |
| 14711 732 731 739 740 3 | |
| 14712 732 731 739 741 3 | |
| 14713 733 731 739 740 3 | |
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| 14720 735 733 736 738 3 | |
| 14721 731 739 741 742 3 | |
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| 14738 743 746 748 750 3 | |
| 14739 747 746 748 749 3 | |
| 14740 747 746 748 750 3 | |
| 14741 746 748 750 751 3 | |
| 14742 746 748 750 752 3 | |
| 14743 746 748 750 757 3 | |
| 14744 749 748 750 751 3 | |
| 14745 749 748 750 752 3 | |
| 14746 749 748 750 757 3 | |
| 14747 748 750 752 755 3 dih_SER_THR_chi1_N_C_C_O | |
| 14748 757 750 752 755 3 dih_SER_THR_chi1_CO_C_C_O | |
| 14749 748 750 752 753 3 | |
| 14750 748 750 752 754 3 | |
| 14751 751 750 752 753 3 | |
| 14752 751 750 752 754 3 | |
| 14753 751 750 752 755 3 | |
| 14754 757 750 752 753 3 | |
| 14755 757 750 752 754 3 | |
| 14756 748 750 757 758 3 | |
| 14757 748 750 757 759 3 | |
| 14758 751 750 757 758 3 | |
| 14759 751 750 757 759 3 | |
| 14760 752 750 757 758 3 | |
| 14761 752 750 757 759 3 | |
| 14762 750 752 755 756 3 dih_SER_THR_chi2_C_C_OH_HO | |
| 14763 753 752 755 756 3 | |
| 14764 754 752 755 756 3 | |
| 14765 750 757 759 760 3 | |
| 14766 750 757 759 761 3 | |
| 14767 758 757 759 760 3 | |
| 14768 758 757 759 761 3 | |
| 14769 757 759 761 762 3 | |
| 14770 757 759 761 763 3 | |
| 14771 757 759 761 771 3 | |
| 14772 760 759 761 762 3 | |
| 14773 760 759 761 763 3 | |
| 14774 760 759 761 771 3 | |
| 14775 759 761 763 765 3 dih_SER_THR_chi1_N_C_C_O | |
| 14776 771 761 763 765 3 dih_SER_THR_chi1_CO_C_C_O | |
| 14777 759 761 763 764 3 | |
| 14778 759 761 763 767 3 | |
| 14779 762 761 763 764 3 | |
| 14780 762 761 763 765 3 | |
| 14781 762 761 763 767 3 | |
| 14782 771 761 763 764 3 | |
| 14783 771 761 763 767 3 | |
| 14784 759 761 771 772 3 | |
| 14785 759 761 771 773 3 | |
| 14786 762 761 771 772 3 | |
| 14787 762 761 771 773 3 | |
| 14788 763 761 771 772 3 | |
| 14789 763 761 771 773 3 | |
| 14790 761 763 765 766 3 dih_SER_THR_chi2_C_C_OH_HO | |
| 14791 764 763 765 766 3 | |
| 14792 767 763 765 766 3 | |
| 14793 761 763 767 768 3 | |
| 14794 761 763 767 769 3 | |
| 14795 761 763 767 770 3 | |
| 14796 764 763 767 768 3 | |
| 14797 764 763 767 769 3 | |
| 14798 764 763 767 770 3 | |
| 14799 765 763 767 768 3 | |
| 14800 765 763 767 769 3 | |
| 14801 765 763 767 770 3 | |
| 14802 761 771 773 774 3 | |
| 14803 761 771 773 775 3 | |
| 14804 772 771 773 774 3 | |
| 14805 772 771 773 775 3 | |
| 14806 771 773 775 776 3 | |
| 14807 771 773 775 777 3 | |
| 14808 771 773 775 783 3 | |
| 14809 774 773 775 776 3 | |
| 14810 774 773 775 777 3 | |
| 14811 774 773 775 783 3 | |
| 14812 773 775 777 780 3 dih_ASP_chi1_N_C_C_C | |
| 14813 783 775 777 780 3 dih_ASP_chi1_C_C_C_CO | |
| 14814 773 775 777 778 3 | |
| 14815 773 775 777 779 3 | |
| 14816 776 775 777 778 3 | |
| 14817 776 775 777 779 3 | |
| 14818 776 775 777 780 3 | |
| 14819 783 775 777 778 3 | |
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| 14821 773 775 783 784 3 | |
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| 14825 777 775 783 784 3 | |
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| 14827 775 777 780 781 3 | |
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| 14833 775 783 785 786 3 | |
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| 14839 783 785 787 804 3 | |
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| 14841 786 785 787 789 3 | |
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| 14843 785 787 789 790 3 | |
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| 14858 787 789 792 793 3 | |
| 14859 787 789 792 795 3 | |
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| 14872 792 793 797 798 3 | |
| 14873 792 793 797 801 3 | |
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| 14876 792 795 799 800 3 | |
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| 14878 796 795 799 800 3 | |
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| 14880 793 797 801 799 3 | |
| 14881 793 797 801 802 3 | |
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| 14884 795 799 801 797 3 | |
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| 14886 800 799 801 797 3 | |
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| 14889 799 801 802 803 3 | |
| 14890 787 804 806 807 3 | |
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| 14892 805 804 806 807 3 | |
| 14893 805 804 806 808 3 | |
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| 14895 804 806 808 810 3 | |
| 14896 804 806 808 811 3 | |
| 14897 807 806 808 809 3 | |
| 14898 807 806 808 810 3 | |
| 14899 807 806 808 811 3 | |
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| 14901 806 808 811 813 3 | |
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| 14903 809 808 811 813 3 | |
| 14904 810 808 811 812 3 | |
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| 14907 808 811 813 815 3 | |
| 14908 812 811 813 814 3 | |
| 14909 812 811 813 815 3 | |
| 14910 811 813 815 816 3 | |
| 14911 811 813 815 817 3 | |
| 14912 811 813 815 830 3 | |
| 14913 814 813 815 816 3 | |
| 14914 814 813 815 817 3 | |
| 14915 814 813 815 830 3 | |
| 14916 813 815 817 819 3 dih_ILE_chi1_N_C_C_C | |
| 14917 813 815 817 822 3 dih_ILE_chi1_N_C_C_C | |
| 14918 830 815 817 819 3 dih_ILE_chi1_C_C_C_CO | |
| 14919 830 815 817 822 3 dih_ILE_chi1_C_C_C_CO | |
| 14920 813 815 817 818 3 | |
| 14921 816 815 817 818 3 | |
| 14922 816 815 817 819 3 | |
| 14923 816 815 817 822 3 | |
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| 14928 816 815 830 832 3 | |
| 14929 817 815 830 831 3 | |
| 14930 817 815 830 832 3 | |
| 14931 815 817 819 820 3 | |
| 14932 815 817 819 821 3 | |
| 14933 815 817 819 826 3 | |
| 14934 818 817 819 820 3 | |
| 14935 818 817 819 821 3 | |
| 14936 818 817 819 826 3 | |
| 14937 822 817 819 820 3 | |
| 14938 822 817 819 821 3 | |
| 14939 822 817 819 826 3 | |
| 14940 815 817 822 823 3 | |
| 14941 815 817 822 824 3 | |
| 14942 815 817 822 825 3 | |
| 14943 818 817 822 823 3 | |
| 14944 818 817 822 824 3 | |
| 14945 818 817 822 825 3 | |
| 14946 819 817 822 823 3 | |
| 14947 819 817 822 824 3 | |
| 14948 819 817 822 825 3 | |
| 14949 817 819 826 827 3 | |
| 14950 817 819 826 828 3 | |
| 14951 817 819 826 829 3 | |
| 14952 820 819 826 827 3 | |
| 14953 820 819 826 828 3 | |
| 14954 820 819 826 829 3 | |
| 14955 821 819 826 827 3 | |
| 14956 821 819 826 828 3 | |
| 14957 821 819 826 829 3 | |
| 14958 815 830 832 833 3 | |
| 14959 815 830 832 834 3 | |
| 14960 831 830 832 833 3 | |
| 14961 831 830 832 834 3 | |
| 14962 830 832 834 835 3 | |
| 14963 830 832 834 836 3 | |
| 14964 830 832 834 849 3 | |
| 14965 833 832 834 835 3 | |
| 14966 833 832 834 836 3 | |
| 14967 833 832 834 849 3 | |
| 14968 832 834 836 839 3 dih_LEU_chi1_N_C_C_C | |
| 14969 849 834 836 839 3 dih_LEU_chi1_C_C_C_CO | |
| 14970 832 834 836 837 3 | |
| 14971 832 834 836 838 3 | |
| 14972 835 834 836 837 3 | |
| 14973 835 834 836 838 3 | |
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| 14977 832 834 849 850 3 | |
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| 14983 834 836 839 840 3 | |
| 14984 834 836 839 841 3 | |
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| 14990 838 836 839 841 3 | |
| 14991 838 836 839 845 3 | |
| 14992 836 839 841 842 3 | |
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| 14995 840 839 841 842 3 | |
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| 14999 845 839 841 843 3 | |
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| 15001 836 839 845 846 3 | |
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| 15006 840 839 845 848 3 | |
| 15007 841 839 845 846 3 | |
| 15008 841 839 845 847 3 | |
| 15009 841 839 845 848 3 | |
| 15010 834 849 851 852 3 | |
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| 15012 850 849 851 852 3 | |
| 15013 850 849 851 853 3 | |
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| 15016 849 851 853 866 3 | |
| 15017 852 851 853 854 3 | |
| 15018 852 851 853 855 3 | |
| 15019 852 851 853 866 3 | |
| 15020 851 853 855 858 3 dih_GLN_chi1_N_C_C_C | |
| 15021 866 853 855 858 3 dih_GLN_chi1_C_C_C_CO | |
| 15022 851 853 855 856 3 | |
| 15023 851 853 855 857 3 | |
| 15024 854 853 855 856 3 | |
| 15025 854 853 855 857 3 | |
| 15026 854 853 855 858 3 | |
| 15027 866 853 855 856 3 | |
| 15028 866 853 855 857 3 | |
| 15029 851 853 866 867 3 | |
| 15030 851 853 866 868 3 | |
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| 15033 855 853 866 867 3 | |
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| 15035 853 855 858 859 3 | |
| 15036 853 855 858 860 3 | |
| 15037 853 855 858 861 3 | |
| 15038 856 855 858 859 3 | |
| 15039 856 855 858 860 3 | |
| 15040 856 855 858 861 3 | |
| 15041 857 855 858 859 3 | |
| 15042 857 855 858 860 3 | |
| 15043 857 855 858 861 3 | |
| 15044 855 858 861 863 3 dih_GLN_chi3_C_C_CO_N | |
| 15045 855 858 861 862 3 | |
| 15046 859 858 861 862 3 | |
| 15047 859 858 861 863 3 | |
| 15048 860 858 861 862 3 | |
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| 15050 858 861 863 864 3 | |
| 15051 858 861 863 865 3 | |
| 15052 862 861 863 864 3 | |
| 15053 862 861 863 865 3 | |
| 15054 853 866 868 869 3 | |
| 15055 853 866 868 870 3 | |
| 15056 867 866 868 869 3 | |
| 15057 867 866 868 870 3 | |
| 15058 866 868 870 871 3 | |
| 15059 866 868 870 872 3 | |
| 15060 866 868 870 885 3 | |
| 15061 869 868 870 871 3 | |
| 15062 869 868 870 872 3 | |
| 15063 869 868 870 885 3 | |
| 15064 868 870 872 874 3 dih_ILE_chi1_N_C_C_C | |
| 15065 868 870 872 877 3 dih_ILE_chi1_N_C_C_C | |
| 15066 885 870 872 874 3 dih_ILE_chi1_C_C_C_CO | |
| 15067 885 870 872 877 3 dih_ILE_chi1_C_C_C_CO | |
| 15068 868 870 872 873 3 | |
| 15069 871 870 872 873 3 | |
| 15070 871 870 872 874 3 | |
| 15071 871 870 872 877 3 | |
| 15072 885 870 872 873 3 | |
| 15073 868 870 885 886 3 | |
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| 15079 870 872 874 875 3 | |
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| 15088 870 872 877 878 3 | |
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| 15091 873 872 877 878 3 | |
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| 15097 872 874 881 882 3 | |
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| 15103 876 874 881 882 3 | |
| 15104 876 874 881 883 3 | |
| 15105 876 874 881 884 3 | |
| 15106 870 885 887 888 3 | |
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| 15108 886 885 887 888 3 | |
| 15109 886 885 887 889 3 | |
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| 15112 885 887 889 899 3 | |
| 15113 888 887 889 890 3 | |
| 15114 888 887 889 891 3 | |
| 15115 888 887 889 899 3 | |
| 15116 887 889 891 894 3 dih_ASN_chi1_N_C_C_C | |
| 15117 899 889 891 894 3 dih_ASN_chi1_C_C_C_CO | |
| 15118 887 889 891 892 3 | |
| 15119 887 889 891 893 3 | |
| 15120 890 889 891 892 3 | |
| 15121 890 889 891 893 3 | |
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| 15123 899 889 891 892 3 | |
| 15124 899 889 891 893 3 | |
| 15125 887 889 899 900 3 | |
| 15126 887 889 899 901 3 | |
| 15127 890 889 899 900 3 | |
| 15128 890 889 899 901 3 | |
| 15129 891 889 899 900 3 | |
| 15130 891 889 899 901 3 | |
| 15131 889 891 894 896 3 dih_ASN_chi2_C_C_CO_N | |
| 15132 889 891 894 895 3 | |
| 15133 892 891 894 895 3 | |
| 15134 892 891 894 896 3 | |
| 15135 893 891 894 895 3 | |
| 15136 893 891 894 896 3 | |
| 15137 891 894 896 897 3 | |
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| 15139 895 894 896 897 3 | |
| 15140 895 894 896 898 3 | |
| 15141 889 899 901 902 3 | |
| 15142 889 899 901 903 3 | |
| 15143 900 899 901 902 3 | |
| 15144 900 899 901 903 3 | |
| 15145 899 901 903 904 3 | |
| 15146 899 901 903 905 3 | |
| 15147 899 901 903 910 3 | |
| 15148 902 901 903 904 3 | |
| 15149 902 901 903 905 3 | |
| 15150 902 901 903 910 3 | |
| 15151 901 903 905 908 3 dih_SER_THR_chi1_N_C_C_O | |
| 15152 910 903 905 908 3 dih_SER_THR_chi1_CO_C_C_O | |
| 15153 901 903 905 906 3 | |
| 15154 901 903 905 907 3 | |
| 15155 904 903 905 906 3 | |
| 15156 904 903 905 907 3 | |
| 15157 904 903 905 908 3 | |
| 15158 910 903 905 906 3 | |
| 15159 910 903 905 907 3 | |
| 15160 901 903 910 911 3 | |
| 15161 901 903 910 912 3 | |
| 15162 904 903 910 911 3 | |
| 15163 904 903 910 912 3 | |
| 15164 905 903 910 911 3 | |
| 15165 905 903 910 912 3 | |
| 15166 903 905 908 909 3 dih_SER_THR_chi2_C_C_OH_HO | |
| 15167 906 905 908 909 3 | |
| 15168 907 905 908 909 3 | |
| 15169 903 910 912 913 3 | |
| 15170 903 910 912 914 3 | |
| 15171 911 910 912 913 3 | |
| 15172 911 910 912 914 3 | |
| 15173 910 912 914 915 3 | |
| 15174 910 912 914 916 3 | |
| 15175 910 912 914 934 3 | |
| 15176 913 912 914 915 3 | |
| 15177 913 912 914 916 3 | |
| 15178 913 912 914 934 3 | |
| 15179 912 914 916 919 3 dih_ARG_chi1_N_C_C_C | |
| 15180 934 914 916 919 3 dih_ARG_chi1_C_C_C_CO | |
| 15181 912 914 916 917 3 | |
| 15182 912 914 916 918 3 | |
| 15183 915 914 916 917 3 | |
| 15184 915 914 916 918 3 | |
| 15185 915 914 916 919 3 | |
| 15186 934 914 916 917 3 | |
| 15187 934 914 916 918 3 | |
| 15188 912 914 934 935 3 | |
| 15189 912 914 934 936 3 | |
| 15190 915 914 934 935 3 | |
| 15191 915 914 934 936 3 | |
| 15192 916 914 934 935 3 | |
| 15193 916 914 934 936 3 | |
| 15194 914 916 919 920 3 | |
| 15195 914 916 919 921 3 | |
| 15196 914 916 919 922 3 | |
| 15197 917 916 919 920 3 | |
| 15198 917 916 919 921 3 | |
| 15199 917 916 919 922 3 | |
| 15200 918 916 919 920 3 | |
| 15201 918 916 919 921 3 | |
| 15202 918 916 919 922 3 | |
| 15203 916 919 922 923 3 | |
| 15204 916 919 922 924 3 | |
| 15205 916 919 922 925 3 | |
| 15206 920 919 922 923 3 | |
| 15207 920 919 922 924 3 | |
| 15208 920 919 922 925 3 | |
| 15209 921 919 922 923 3 | |
| 15210 921 919 922 924 3 | |
| 15211 921 919 922 925 3 | |
| 15212 919 922 925 926 3 | |
| 15213 919 922 925 927 3 | |
| 15214 923 922 925 926 3 | |
| 15215 923 922 925 927 3 | |
| 15216 924 922 925 926 3 | |
| 15217 924 922 925 927 3 | |
| 15218 922 925 927 928 3 | |
| 15219 922 925 927 931 3 | |
| 15220 926 925 927 928 3 | |
| 15221 926 925 927 931 3 | |
| 15222 925 927 928 929 3 | |
| 15223 925 927 928 930 3 | |
| 15224 931 927 928 929 3 | |
| 15225 931 927 928 930 3 | |
| 15226 925 927 931 932 3 | |
| 15227 925 927 931 933 3 | |
| 15228 928 927 931 932 3 | |
| 15229 928 927 931 933 3 | |
| 15230 914 934 936 937 3 | |
| 15231 914 934 936 938 3 | |
| 15232 935 934 936 937 3 | |
| 15233 935 934 936 938 3 | |
| 15234 934 936 938 939 3 | |
| 15235 934 936 938 940 3 | |
| 15236 934 936 938 958 3 | |
| 15237 937 936 938 939 3 | |
| 15238 937 936 938 940 3 | |
| 15239 937 936 938 958 3 | |
| 15240 936 938 940 943 3 dih_TRP_chi1_N_C_C_C | |
| 15241 958 938 940 943 3 dih_TRP_chi1_C_C_C_CO | |
| 15242 936 938 940 941 3 | |
| 15243 936 938 940 942 3 | |
| 15244 939 938 940 941 3 | |
| 15245 939 938 940 942 3 | |
| 15246 939 938 940 943 3 | |
| 15247 958 938 940 941 3 | |
| 15248 958 938 940 942 3 | |
| 15249 936 938 958 959 3 | |
| 15250 936 938 958 960 3 | |
| 15251 939 938 958 959 3 | |
| 15252 939 938 958 960 3 | |
| 15253 940 938 958 959 3 | |
| 15254 940 938 958 960 3 | |
| 15255 938 940 943 944 3 | |
| 15256 938 940 943 946 3 | |
| 15257 941 940 943 944 3 | |
| 15258 941 940 943 946 3 | |
| 15259 942 940 943 944 3 | |
| 15260 942 940 943 946 3 | |
| 15261 940 943 944 945 3 | |
| 15262 940 943 944 947 3 | |
| 15263 946 943 944 945 3 | |
| 15264 946 943 944 947 3 | |
| 15265 940 943 946 949 3 | |
| 15266 940 943 946 950 3 | |
| 15267 944 943 946 949 3 | |
| 15268 944 943 946 950 3 | |
| 15269 943 944 947 948 3 | |
| 15270 943 944 947 949 3 | |
| 15271 945 944 947 948 3 | |
| 15272 945 944 947 949 3 | |
| 15273 943 946 949 947 3 | |
| 15274 943 946 949 952 3 | |
| 15275 950 946 949 947 3 | |
| 15276 950 946 949 952 3 | |
| 15277 943 946 950 951 3 | |
| 15278 943 946 950 954 3 | |
| 15279 949 946 950 951 3 | |
| 15280 949 946 950 954 3 | |
| 15281 944 947 949 946 3 | |
| 15282 944 947 949 952 3 | |
| 15283 948 947 949 946 3 | |
| 15284 948 947 949 952 3 | |
| 15285 946 949 952 953 3 | |
| 15286 946 949 952 956 3 | |
| 15287 947 949 952 953 3 | |
| 15288 947 949 952 956 3 | |
| 15289 946 950 954 955 3 | |
| 15290 946 950 954 956 3 | |
| 15291 951 950 954 955 3 | |
| 15292 951 950 954 956 3 | |
| 15293 949 952 956 954 3 | |
| 15294 949 952 956 957 3 | |
| 15295 953 952 956 954 3 | |
| 15296 953 952 956 957 3 | |
| 15297 950 954 956 952 3 | |
| 15298 950 954 956 957 3 | |
| 15299 955 954 956 952 3 | |
| 15300 955 954 956 957 3 | |
| 15301 938 958 960 961 3 | |
| 15302 938 958 960 962 3 | |
| 15303 959 958 960 961 3 | |
| 15304 959 958 960 962 3 | |
| 15305 958 960 962 963 3 | |
| 15306 958 960 962 964 3 | |
| 15307 958 960 962 982 3 | |
| 15308 961 960 962 963 3 | |
| 15309 961 960 962 964 3 | |
| 15310 961 960 962 982 3 | |
| 15311 960 962 964 967 3 dih_TRP_chi1_N_C_C_C | |
| 15312 982 962 964 967 3 dih_TRP_chi1_C_C_C_CO | |
| 15313 960 962 964 965 3 | |
| 15314 960 962 964 966 3 | |
| 15315 963 962 964 965 3 | |
| 15316 963 962 964 966 3 | |
| 15317 963 962 964 967 3 | |
| 15318 982 962 964 965 3 | |
| 15319 982 962 964 966 3 | |
| 15320 960 962 982 983 3 | |
| 15321 960 962 982 984 3 | |
| 15322 963 962 982 983 3 | |
| 15323 963 962 982 984 3 | |
| 15324 964 962 982 983 3 | |
| 15325 964 962 982 984 3 | |
| 15326 962 964 967 968 3 | |
| 15327 962 964 967 970 3 | |
| 15328 965 964 967 968 3 | |
| 15329 965 964 967 970 3 | |
| 15330 966 964 967 968 3 | |
| 15331 966 964 967 970 3 | |
| 15332 964 967 968 969 3 | |
| 15333 964 967 968 971 3 | |
| 15334 970 967 968 969 3 | |
| 15335 970 967 968 971 3 | |
| 15336 964 967 970 973 3 | |
| 15337 964 967 970 974 3 | |
| 15338 968 967 970 973 3 | |
| 15339 968 967 970 974 3 | |
| 15340 967 968 971 972 3 | |
| 15341 967 968 971 973 3 | |
| 15342 969 968 971 972 3 | |
| 15343 969 968 971 973 3 | |
| 15344 967 970 973 971 3 | |
| 15345 967 970 973 976 3 | |
| 15346 974 970 973 971 3 | |
| 15347 974 970 973 976 3 | |
| 15348 967 970 974 975 3 | |
| 15349 967 970 974 978 3 | |
| 15350 973 970 974 975 3 | |
| 15351 973 970 974 978 3 | |
| 15352 968 971 973 970 3 | |
| 15353 968 971 973 976 3 | |
| 15354 972 971 973 970 3 | |
| 15355 972 971 973 976 3 | |
| 15356 970 973 976 977 3 | |
| 15357 970 973 976 980 3 | |
| 15358 971 973 976 977 3 | |
| 15359 971 973 976 980 3 | |
| 15360 970 974 978 979 3 | |
| 15361 970 974 978 980 3 | |
| 15362 975 974 978 979 3 | |
| 15363 975 974 978 980 3 | |
| 15364 973 976 980 978 3 | |
| 15365 973 976 980 981 3 | |
| 15366 977 976 980 978 3 | |
| 15367 977 976 980 981 3 | |
| 15368 974 978 980 976 3 | |
| 15369 974 978 980 981 3 | |
| 15370 979 978 980 976 3 | |
| 15371 979 978 980 981 3 | |
| 15372 962 982 984 985 3 | |
| 15373 962 982 984 986 3 | |
| 15374 983 982 984 985 3 | |
| 15375 983 982 984 986 3 | |
| 15376 982 984 986 987 3 | |
| 15377 982 984 986 988 3 | |
| 15378 982 984 986 992 3 | |
| 15379 985 984 986 987 3 | |
| 15380 985 984 986 988 3 | |
| 15381 985 984 986 992 3 | |
| 15382 984 986 988 991 3 dih_CYS_chi1_N_C_C_S | |
| 15383 992 986 988 991 3 dih_CYS_chi1_CO_C_C_S | |
| 15384 984 986 988 989 3 | |
| 15385 984 986 988 990 3 | |
| 15386 987 986 988 989 3 | |
| 15387 987 986 988 990 3 | |
| 15388 987 986 988 991 3 | |
| 15389 992 986 988 989 3 | |
| 15390 992 986 988 990 3 | |
| 15391 984 986 992 993 3 | |
| 15392 984 986 992 994 3 | |
| 15393 987 986 992 993 3 | |
| 15394 987 986 992 994 3 | |
| 15395 988 986 992 993 3 | |
| 15396 988 986 992 994 3 | |
| 15397 986 988 991 1218 3 | |
| 15398 989 988 991 1218 3 | |
| 15399 990 988 991 1218 3 | |
| 15400 988 991 1218 1215 3 | |
| 15401 986 992 994 995 3 | |
| 15402 986 992 994 996 3 | |
| 15403 993 992 994 995 3 | |
| 15404 993 992 994 996 3 | |
| 15405 992 994 996 997 3 | |
| 15406 992 994 996 998 3 | |
| 15407 992 994 996 1006 3 | |
| 15408 995 994 996 997 3 | |
| 15409 995 994 996 998 3 | |
| 15410 995 994 996 1006 3 | |
| 15411 994 996 998 1001 3 dih_ASN_chi1_N_C_C_C | |
| 15412 1006 996 998 1001 3 dih_ASN_chi1_C_C_C_CO | |
| 15413 994 996 998 999 3 | |
| 15414 994 996 998 1000 3 | |
| 15415 997 996 998 999 3 | |
| 15416 997 996 998 1000 3 | |
| 15417 997 996 998 1001 3 | |
| 15418 1006 996 998 999 3 | |
| 15419 1006 996 998 1000 3 | |
| 15420 994 996 1006 1007 3 | |
| 15421 994 996 1006 1008 3 | |
| 15422 997 996 1006 1007 3 | |
| 15423 997 996 1006 1008 3 | |
| 15424 998 996 1006 1007 3 | |
| 15425 998 996 1006 1008 3 | |
| 15426 996 998 1001 1003 3 dih_ASN_chi2_C_C_CO_N | |
| 15427 996 998 1001 1002 3 | |
| 15428 999 998 1001 1002 3 | |
| 15429 999 998 1001 1003 3 | |
| 15430 1000 998 1001 1002 3 | |
| 15431 1000 998 1001 1003 3 | |
| 15432 998 1001 1003 1004 3 | |
| 15433 998 1001 1003 1005 3 | |
| 15434 1002 1001 1003 1004 3 | |
| 15435 1002 1001 1003 1005 3 | |
| 15436 996 1006 1008 1009 3 | |
| 15437 996 1006 1008 1010 3 | |
| 15438 1007 1006 1008 1009 3 | |
| 15439 1007 1006 1008 1010 3 | |
| 15440 1006 1008 1010 1011 3 | |
| 15441 1006 1008 1010 1012 3 | |
| 15442 1006 1008 1010 1018 3 | |
| 15443 1009 1008 1010 1011 3 | |
| 15444 1009 1008 1010 1012 3 | |
| 15445 1009 1008 1010 1018 3 | |
| 15446 1008 1010 1012 1015 3 dih_ASP_chi1_N_C_C_C | |
| 15447 1018 1010 1012 1015 3 dih_ASP_chi1_C_C_C_CO | |
| 15448 1008 1010 1012 1013 3 | |
| 15449 1008 1010 1012 1014 3 | |
| 15450 1011 1010 1012 1013 3 | |
| 15451 1011 1010 1012 1014 3 | |
| 15452 1011 1010 1012 1015 3 | |
| 15453 1018 1010 1012 1013 3 | |
| 15454 1018 1010 1012 1014 3 | |
| 15455 1008 1010 1018 1019 3 | |
| 15456 1008 1010 1018 1020 3 | |
| 15457 1011 1010 1018 1019 3 | |
| 15458 1011 1010 1018 1020 3 | |
| 15459 1012 1010 1018 1019 3 | |
| 15460 1012 1010 1018 1020 3 | |
| 15461 1010 1012 1015 1016 3 | |
| 15462 1010 1012 1015 1017 3 | |
| 15463 1013 1012 1015 1016 3 | |
| 15464 1013 1012 1015 1017 3 | |
| 15465 1014 1012 1015 1016 3 | |
| 15466 1014 1012 1015 1017 3 | |
| 15467 1010 1018 1020 1021 3 | |
| 15468 1010 1018 1020 1022 3 | |
| 15469 1019 1018 1020 1021 3 | |
| 15470 1019 1018 1020 1022 3 | |
| 15471 1018 1020 1022 1023 3 | |
| 15472 1018 1020 1022 1024 3 | |
| 15473 1018 1020 1022 1025 3 | |
| 15474 1021 1020 1022 1023 3 | |
| 15475 1021 1020 1022 1024 3 | |
| 15476 1021 1020 1022 1025 3 | |
| 15477 1020 1022 1025 1026 3 | |
| 15478 1020 1022 1025 1027 3 | |
| 15479 1023 1022 1025 1026 3 | |
| 15480 1023 1022 1025 1027 3 | |
| 15481 1024 1022 1025 1026 3 | |
| 15482 1024 1022 1025 1027 3 | |
| 15483 1022 1025 1027 1028 3 | |
| 15484 1022 1025 1027 1029 3 | |
| 15485 1026 1025 1027 1028 3 | |
| 15486 1026 1025 1027 1029 3 | |
| 15487 1025 1027 1029 1030 3 | |
| 15488 1025 1027 1029 1031 3 | |
| 15489 1025 1027 1029 1049 3 | |
| 15490 1028 1027 1029 1030 3 | |
| 15491 1028 1027 1029 1031 3 | |
| 15492 1028 1027 1029 1049 3 | |
| 15493 1027 1029 1031 1034 3 dih_ARG_chi1_N_C_C_C | |
| 15494 1049 1029 1031 1034 3 dih_ARG_chi1_C_C_C_CO | |
| 15495 1027 1029 1031 1032 3 | |
| 15496 1027 1029 1031 1033 3 | |
| 15497 1030 1029 1031 1032 3 | |
| 15498 1030 1029 1031 1033 3 | |
| 15499 1030 1029 1031 1034 3 | |
| 15500 1049 1029 1031 1032 3 | |
| 15501 1049 1029 1031 1033 3 | |
| 15502 1027 1029 1049 1050 3 | |
| 15503 1027 1029 1049 1051 3 | |
| 15504 1030 1029 1049 1050 3 | |
| 15505 1030 1029 1049 1051 3 | |
| 15506 1031 1029 1049 1050 3 | |
| 15507 1031 1029 1049 1051 3 | |
| 15508 1029 1031 1034 1035 3 | |
| 15509 1029 1031 1034 1036 3 | |
| 15510 1029 1031 1034 1037 3 | |
| 15511 1032 1031 1034 1035 3 | |
| 15512 1032 1031 1034 1036 3 | |
| 15513 1032 1031 1034 1037 3 | |
| 15514 1033 1031 1034 1035 3 | |
| 15515 1033 1031 1034 1036 3 | |
| 15516 1033 1031 1034 1037 3 | |
| 15517 1031 1034 1037 1038 3 | |
| 15518 1031 1034 1037 1039 3 | |
| 15519 1031 1034 1037 1040 3 | |
| 15520 1035 1034 1037 1038 3 | |
| 15521 1035 1034 1037 1039 3 | |
| 15522 1035 1034 1037 1040 3 | |
| 15523 1036 1034 1037 1038 3 | |
| 15524 1036 1034 1037 1039 3 | |
| 15525 1036 1034 1037 1040 3 | |
| 15526 1034 1037 1040 1041 3 | |
| 15527 1034 1037 1040 1042 3 | |
| 15528 1038 1037 1040 1041 3 | |
| 15529 1038 1037 1040 1042 3 | |
| 15530 1039 1037 1040 1041 3 | |
| 15531 1039 1037 1040 1042 3 | |
| 15532 1037 1040 1042 1043 3 | |
| 15533 1037 1040 1042 1046 3 | |
| 15534 1041 1040 1042 1043 3 | |
| 15535 1041 1040 1042 1046 3 | |
| 15536 1040 1042 1043 1044 3 | |
| 15537 1040 1042 1043 1045 3 | |
| 15538 1046 1042 1043 1044 3 | |
| 15539 1046 1042 1043 1045 3 | |
| 15540 1040 1042 1046 1047 3 | |
| 15541 1040 1042 1046 1048 3 | |
| 15542 1043 1042 1046 1047 3 | |
| 15543 1043 1042 1046 1048 3 | |
| 15544 1029 1049 1051 1052 3 | |
| 15545 1029 1049 1051 1053 3 | |
| 15546 1050 1049 1051 1052 3 | |
| 15547 1050 1049 1051 1053 3 | |
| 15548 1049 1051 1053 1054 3 | |
| 15549 1049 1051 1053 1055 3 | |
| 15550 1049 1051 1053 1063 3 | |
| 15551 1052 1051 1053 1054 3 | |
| 15552 1052 1051 1053 1055 3 | |
| 15553 1052 1051 1053 1063 3 | |
| 15554 1051 1053 1055 1057 3 dih_SER_THR_chi1_N_C_C_O | |
| 15555 1063 1053 1055 1057 3 dih_SER_THR_chi1_CO_C_C_O | |
| 15556 1051 1053 1055 1056 3 | |
| 15557 1051 1053 1055 1059 3 | |
| 15558 1054 1053 1055 1056 3 | |
| 15559 1054 1053 1055 1057 3 | |
| 15560 1054 1053 1055 1059 3 | |
| 15561 1063 1053 1055 1056 3 | |
| 15562 1063 1053 1055 1059 3 | |
| 15563 1051 1053 1063 1064 3 | |
| 15564 1051 1053 1063 1065 3 | |
| 15565 1054 1053 1063 1064 3 | |
| 15566 1054 1053 1063 1065 3 | |
| 15567 1055 1053 1063 1064 3 | |
| 15568 1055 1053 1063 1065 3 | |
| 15569 1053 1055 1057 1058 3 dih_SER_THR_chi2_C_C_OH_HO | |
| 15570 1056 1055 1057 1058 3 | |
| 15571 1059 1055 1057 1058 3 | |
| 15572 1053 1055 1059 1060 3 | |
| 15573 1053 1055 1059 1061 3 | |
| 15574 1053 1055 1059 1062 3 | |
| 15575 1056 1055 1059 1060 3 | |
| 15576 1056 1055 1059 1061 3 | |
| 15577 1056 1055 1059 1062 3 | |
| 15578 1057 1055 1059 1060 3 | |
| 15579 1057 1055 1059 1061 3 | |
| 15580 1057 1055 1059 1062 3 | |
| 15581 1053 1063 1065 1066 3 | |
| 15582 1053 1063 1065 1074 3 | |
| 15583 1064 1063 1065 1066 3 | |
| 15584 1064 1063 1065 1074 3 | |
| 15585 1063 1065 1066 1067 3 | |
| 15586 1063 1065 1066 1068 3 | |
| 15587 1063 1065 1066 1077 3 | |
| 15588 1074 1065 1066 1067 3 | |
| 15589 1074 1065 1066 1068 3 | |
| 15590 1074 1065 1066 1077 3 | |
| 15591 1063 1065 1074 1071 3 | |
| 15592 1063 1065 1074 1075 3 | |
| 15593 1063 1065 1074 1076 3 | |
| 15594 1066 1065 1074 1071 3 | |
| 15595 1066 1065 1074 1075 3 | |
| 15596 1066 1065 1074 1076 3 | |
| 15597 1065 1066 1068 1069 3 | |
| 15598 1065 1066 1068 1070 3 | |
| 15599 1065 1066 1068 1071 3 | |
| 15600 1067 1066 1068 1069 3 | |
| 15601 1067 1066 1068 1070 3 | |
| 15602 1067 1066 1068 1071 3 | |
| 15603 1077 1066 1068 1069 3 | |
| 15604 1077 1066 1068 1070 3 | |
| 15605 1077 1066 1068 1071 3 | |
| 15606 1065 1066 1077 1078 3 | |
| 15607 1065 1066 1077 1079 3 | |
| 15608 1067 1066 1077 1078 3 | |
| 15609 1067 1066 1077 1079 3 | |
| 15610 1068 1066 1077 1078 3 | |
| 15611 1068 1066 1077 1079 3 | |
| 15612 1066 1068 1071 1072 3 | |
| 15613 1066 1068 1071 1073 3 | |
| 15614 1066 1068 1071 1074 3 | |
| 15615 1069 1068 1071 1072 3 | |
| 15616 1069 1068 1071 1073 3 | |
| 15617 1069 1068 1071 1074 3 | |
| 15618 1070 1068 1071 1072 3 | |
| 15619 1070 1068 1071 1073 3 | |
| 15620 1070 1068 1071 1074 3 | |
| 15621 1068 1071 1074 1065 3 | |
| 15622 1068 1071 1074 1075 3 | |
| 15623 1068 1071 1074 1076 3 | |
| 15624 1072 1071 1074 1065 3 | |
| 15625 1072 1071 1074 1075 3 | |
| 15626 1072 1071 1074 1076 3 | |
| 15627 1073 1071 1074 1065 3 | |
| 15628 1073 1071 1074 1075 3 | |
| 15629 1073 1071 1074 1076 3 | |
| 15630 1066 1077 1079 1080 3 | |
| 15631 1066 1077 1079 1081 3 | |
| 15632 1078 1077 1079 1080 3 | |
| 15633 1078 1077 1079 1081 3 | |
| 15634 1077 1079 1081 1082 3 | |
| 15635 1077 1079 1081 1083 3 | |
| 15636 1077 1079 1081 1084 3 | |
| 15637 1080 1079 1081 1082 3 | |
| 15638 1080 1079 1081 1083 3 | |
| 15639 1080 1079 1081 1084 3 | |
| 15640 1079 1081 1084 1085 3 | |
| 15641 1079 1081 1084 1086 3 | |
| 15642 1082 1081 1084 1085 3 | |
| 15643 1082 1081 1084 1086 3 | |
| 15644 1083 1081 1084 1085 3 | |
| 15645 1083 1081 1084 1086 3 | |
| 15646 1081 1084 1086 1087 3 | |
| 15647 1081 1084 1086 1088 3 | |
| 15648 1085 1084 1086 1087 3 | |
| 15649 1085 1084 1086 1088 3 | |
| 15650 1084 1086 1088 1089 3 | |
| 15651 1084 1086 1088 1090 3 | |
| 15652 1084 1086 1088 1095 3 | |
| 15653 1087 1086 1088 1089 3 | |
| 15654 1087 1086 1088 1090 3 | |
| 15655 1087 1086 1088 1095 3 | |
| 15656 1086 1088 1090 1093 3 dih_SER_THR_chi1_N_C_C_O | |
| 15657 1095 1088 1090 1093 3 dih_SER_THR_chi1_CO_C_C_O | |
| 15658 1086 1088 1090 1091 3 | |
| 15659 1086 1088 1090 1092 3 | |
| 15660 1089 1088 1090 1091 3 | |
| 15661 1089 1088 1090 1092 3 | |
| 15662 1089 1088 1090 1093 3 | |
| 15663 1095 1088 1090 1091 3 | |
| 15664 1095 1088 1090 1092 3 | |
| 15665 1086 1088 1095 1096 3 | |
| 15666 1086 1088 1095 1097 3 | |
| 15667 1089 1088 1095 1096 3 | |
| 15668 1089 1088 1095 1097 3 | |
| 15669 1090 1088 1095 1096 3 | |
| 15670 1090 1088 1095 1097 3 | |
| 15671 1088 1090 1093 1094 3 dih_SER_THR_chi2_C_C_OH_HO | |
| 15672 1091 1090 1093 1094 3 | |
| 15673 1092 1090 1093 1094 3 | |
| 15674 1088 1095 1097 1098 3 | |
| 15675 1088 1095 1097 1099 3 | |
| 15676 1096 1095 1097 1098 3 | |
| 15677 1096 1095 1097 1099 3 | |
| 15678 1095 1097 1099 1100 3 | |
| 15679 1095 1097 1099 1101 3 | |
| 15680 1095 1097 1099 1119 3 | |
| 15681 1098 1097 1099 1100 3 | |
| 15682 1098 1097 1099 1101 3 | |
| 15683 1098 1097 1099 1119 3 | |
| 15684 1097 1099 1101 1104 3 dih_ARG_chi1_N_C_C_C | |
| 15685 1119 1099 1101 1104 3 dih_ARG_chi1_C_C_C_CO | |
| 15686 1097 1099 1101 1102 3 | |
| 15687 1097 1099 1101 1103 3 | |
| 15688 1100 1099 1101 1102 3 | |
| 15689 1100 1099 1101 1103 3 | |
| 15690 1100 1099 1101 1104 3 | |
| 15691 1119 1099 1101 1102 3 | |
| 15692 1119 1099 1101 1103 3 | |
| 15693 1097 1099 1119 1120 3 | |
| 15694 1097 1099 1119 1121 3 | |
| 15695 1100 1099 1119 1120 3 | |
| 15696 1100 1099 1119 1121 3 | |
| 15697 1101 1099 1119 1120 3 | |
| 15698 1101 1099 1119 1121 3 | |
| 15699 1099 1101 1104 1105 3 | |
| 15700 1099 1101 1104 1106 3 | |
| 15701 1099 1101 1104 1107 3 | |
| 15702 1102 1101 1104 1105 3 | |
| 15703 1102 1101 1104 1106 3 | |
| 15704 1102 1101 1104 1107 3 | |
| 15705 1103 1101 1104 1105 3 | |
| 15706 1103 1101 1104 1106 3 | |
| 15707 1103 1101 1104 1107 3 | |
| 15708 1101 1104 1107 1108 3 | |
| 15709 1101 1104 1107 1109 3 | |
| 15710 1101 1104 1107 1110 3 | |
| 15711 1105 1104 1107 1108 3 | |
| 15712 1105 1104 1107 1109 3 | |
| 15713 1105 1104 1107 1110 3 | |
| 15714 1106 1104 1107 1108 3 | |
| 15715 1106 1104 1107 1109 3 | |
| 15716 1106 1104 1107 1110 3 | |
| 15717 1104 1107 1110 1111 3 | |
| 15718 1104 1107 1110 1112 3 | |
| 15719 1108 1107 1110 1111 3 | |
| 15720 1108 1107 1110 1112 3 | |
| 15721 1109 1107 1110 1111 3 | |
| 15722 1109 1107 1110 1112 3 | |
| 15723 1107 1110 1112 1113 3 | |
| 15724 1107 1110 1112 1116 3 | |
| 15725 1111 1110 1112 1113 3 | |
| 15726 1111 1110 1112 1116 3 | |
| 15727 1110 1112 1113 1114 3 | |
| 15728 1110 1112 1113 1115 3 | |
| 15729 1116 1112 1113 1114 3 | |
| 15730 1116 1112 1113 1115 3 | |
| 15731 1110 1112 1116 1117 3 | |
| 15732 1110 1112 1116 1118 3 | |
| 15733 1113 1112 1116 1117 3 | |
| 15734 1113 1112 1116 1118 3 | |
| 15735 1099 1119 1121 1122 3 | |
| 15736 1099 1119 1121 1123 3 | |
| 15737 1120 1119 1121 1122 3 | |
| 15738 1120 1119 1121 1123 3 | |
| 15739 1119 1121 1123 1124 3 | |
| 15740 1119 1121 1123 1125 3 | |
| 15741 1119 1121 1123 1133 3 | |
| 15742 1122 1121 1123 1124 3 | |
| 15743 1122 1121 1123 1125 3 | |
| 15744 1122 1121 1123 1133 3 | |
| 15745 1121 1123 1125 1128 3 dih_ASN_chi1_N_C_C_C | |
| 15746 1133 1123 1125 1128 3 dih_ASN_chi1_C_C_C_CO | |
| 15747 1121 1123 1125 1126 3 | |
| 15748 1121 1123 1125 1127 3 | |
| 15749 1124 1123 1125 1126 3 | |
| 15750 1124 1123 1125 1127 3 | |
| 15751 1124 1123 1125 1128 3 | |
| 15752 1133 1123 1125 1126 3 | |
| 15753 1133 1123 1125 1127 3 | |
| 15754 1121 1123 1133 1134 3 | |
| 15755 1121 1123 1133 1135 3 | |
| 15756 1124 1123 1133 1134 3 | |
| 15757 1124 1123 1133 1135 3 | |
| 15758 1125 1123 1133 1134 3 | |
| 15759 1125 1123 1133 1135 3 | |
| 15760 1123 1125 1128 1130 3 dih_ASN_chi2_C_C_CO_N | |
| 15761 1123 1125 1128 1129 3 | |
| 15762 1126 1125 1128 1129 3 | |
| 15763 1126 1125 1128 1130 3 | |
| 15764 1127 1125 1128 1129 3 | |
| 15765 1127 1125 1128 1130 3 | |
| 15766 1125 1128 1130 1131 3 | |
| 15767 1125 1128 1130 1132 3 | |
| 15768 1129 1128 1130 1131 3 | |
| 15769 1129 1128 1130 1132 3 | |
| 15770 1123 1133 1135 1136 3 | |
| 15771 1123 1133 1135 1137 3 | |
| 15772 1134 1133 1135 1136 3 | |
| 15773 1134 1133 1135 1137 3 | |
| 15774 1133 1135 1137 1138 3 | |
| 15775 1133 1135 1137 1139 3 | |
| 15776 1133 1135 1137 1152 3 | |
| 15777 1136 1135 1137 1138 3 | |
| 15778 1136 1135 1137 1139 3 | |
| 15779 1136 1135 1137 1152 3 | |
| 15780 1135 1137 1139 1142 3 dih_LEU_chi1_N_C_C_C | |
| 15781 1152 1137 1139 1142 3 dih_LEU_chi1_C_C_C_CO | |
| 15782 1135 1137 1139 1140 3 | |
| 15783 1135 1137 1139 1141 3 | |
| 15784 1138 1137 1139 1140 3 | |
| 15785 1138 1137 1139 1141 3 | |
| 15786 1138 1137 1139 1142 3 | |
| 15787 1152 1137 1139 1140 3 | |
| 15788 1152 1137 1139 1141 3 | |
| 15789 1135 1137 1152 1153 3 | |
| 15790 1135 1137 1152 1154 3 | |
| 15791 1138 1137 1152 1153 3 | |
| 15792 1138 1137 1152 1154 3 | |
| 15793 1139 1137 1152 1153 3 | |
| 15794 1139 1137 1152 1154 3 | |
| 15795 1137 1139 1142 1143 3 | |
| 15796 1137 1139 1142 1144 3 | |
| 15797 1137 1139 1142 1148 3 | |
| 15798 1140 1139 1142 1143 3 | |
| 15799 1140 1139 1142 1144 3 | |
| 15800 1140 1139 1142 1148 3 | |
| 15801 1141 1139 1142 1143 3 | |
| 15802 1141 1139 1142 1144 3 | |
| 15803 1141 1139 1142 1148 3 | |
| 15804 1139 1142 1144 1145 3 | |
| 15805 1139 1142 1144 1146 3 | |
| 15806 1139 1142 1144 1147 3 | |
| 15807 1143 1142 1144 1145 3 | |
| 15808 1143 1142 1144 1146 3 | |
| 15809 1143 1142 1144 1147 3 | |
| 15810 1148 1142 1144 1145 3 | |
| 15811 1148 1142 1144 1146 3 | |
| 15812 1148 1142 1144 1147 3 | |
| 15813 1139 1142 1148 1149 3 | |
| 15814 1139 1142 1148 1150 3 | |
| 15815 1139 1142 1148 1151 3 | |
| 15816 1143 1142 1148 1149 3 | |
| 15817 1143 1142 1148 1150 3 | |
| 15818 1143 1142 1148 1151 3 | |
| 15819 1144 1142 1148 1149 3 | |
| 15820 1144 1142 1148 1150 3 | |
| 15821 1144 1142 1148 1151 3 | |
| 15822 1137 1152 1154 1155 3 | |
| 15823 1137 1152 1154 1156 3 | |
| 15824 1153 1152 1154 1155 3 | |
| 15825 1153 1152 1154 1156 3 | |
| 15826 1152 1154 1156 1157 3 | |
| 15827 1152 1154 1156 1158 3 | |
| 15828 1152 1154 1156 1162 3 | |
| 15829 1155 1154 1156 1157 3 | |
| 15830 1155 1154 1156 1158 3 | |
| 15831 1155 1154 1156 1162 3 | |
| 15832 1154 1156 1158 1161 3 dih_CYS_chi1_N_C_C_S | |
| 15833 1162 1156 1158 1161 3 dih_CYS_chi1_CO_C_C_S | |
| 15834 1154 1156 1158 1159 3 | |
| 15835 1154 1156 1158 1160 3 | |
| 15836 1157 1156 1158 1159 3 | |
| 15837 1157 1156 1158 1160 3 | |
| 15838 1157 1156 1158 1161 3 | |
| 15839 1162 1156 1158 1159 3 | |
| 15840 1162 1156 1158 1160 3 | |
| 15841 1154 1156 1162 1163 3 | |
| 15842 1154 1156 1162 1164 3 | |
| 15843 1157 1156 1162 1163 3 | |
| 15844 1157 1156 1162 1164 3 | |
| 15845 1158 1156 1162 1163 3 | |
| 15846 1158 1156 1162 1164 3 | |
| 15847 1156 1158 1161 1405 3 | |
| 15848 1159 1158 1161 1405 3 | |
| 15849 1160 1158 1161 1405 3 | |
| 15850 1158 1161 1405 1402 3 | |
| 15851 1156 1162 1164 1165 3 | |
| 15852 1156 1162 1164 1166 3 | |
| 15853 1163 1162 1164 1165 3 | |
| 15854 1163 1162 1164 1166 3 | |
| 15855 1162 1164 1166 1167 3 | |
| 15856 1162 1164 1166 1168 3 | |
| 15857 1162 1164 1166 1176 3 | |
| 15858 1165 1164 1166 1167 3 | |
| 15859 1165 1164 1166 1168 3 | |
| 15860 1165 1164 1166 1176 3 | |
| 15861 1164 1166 1168 1171 3 dih_ASN_chi1_N_C_C_C | |
| 15862 1176 1166 1168 1171 3 dih_ASN_chi1_C_C_C_CO | |
| 15863 1164 1166 1168 1169 3 | |
| 15864 1164 1166 1168 1170 3 | |
| 15865 1167 1166 1168 1169 3 | |
| 15866 1167 1166 1168 1170 3 | |
| 15867 1167 1166 1168 1171 3 | |
| 15868 1176 1166 1168 1169 3 | |
| 15869 1176 1166 1168 1170 3 | |
| 15870 1164 1166 1176 1177 3 | |
| 15871 1164 1166 1176 1178 3 | |
| 15872 1167 1166 1176 1177 3 | |
| 15873 1167 1166 1176 1178 3 | |
| 15874 1168 1166 1176 1177 3 | |
| 15875 1168 1166 1176 1178 3 | |
| 15876 1166 1168 1171 1173 3 dih_ASN_chi2_C_C_CO_N | |
| 15877 1166 1168 1171 1172 3 | |
| 15878 1169 1168 1171 1172 3 | |
| 15879 1169 1168 1171 1173 3 | |
| 15880 1170 1168 1171 1172 3 | |
| 15881 1170 1168 1171 1173 3 | |
| 15882 1168 1171 1173 1174 3 | |
| 15883 1168 1171 1173 1175 3 | |
| 15884 1172 1171 1173 1174 3 | |
| 15885 1172 1171 1173 1175 3 | |
| 15886 1166 1176 1178 1179 3 | |
| 15887 1166 1176 1178 1180 3 | |
| 15888 1177 1176 1178 1179 3 | |
| 15889 1177 1176 1178 1180 3 | |
| 15890 1176 1178 1180 1181 3 | |
| 15891 1176 1178 1180 1182 3 | |
| 15892 1176 1178 1180 1195 3 | |
| 15893 1179 1178 1180 1181 3 | |
| 15894 1179 1178 1180 1182 3 | |
| 15895 1179 1178 1180 1195 3 | |
| 15896 1178 1180 1182 1184 3 dih_ILE_chi1_N_C_C_C | |
| 15897 1178 1180 1182 1187 3 dih_ILE_chi1_N_C_C_C | |
| 15898 1195 1180 1182 1184 3 dih_ILE_chi1_C_C_C_CO | |
| 15899 1195 1180 1182 1187 3 dih_ILE_chi1_C_C_C_CO | |
| 15900 1178 1180 1182 1183 3 | |
| 15901 1181 1180 1182 1183 3 | |
| 15902 1181 1180 1182 1184 3 | |
| 15903 1181 1180 1182 1187 3 | |
| 15904 1195 1180 1182 1183 3 | |
| 15905 1178 1180 1195 1196 3 | |
| 15906 1178 1180 1195 1197 3 | |
| 15907 1181 1180 1195 1196 3 | |
| 15908 1181 1180 1195 1197 3 | |
| 15909 1182 1180 1195 1196 3 | |
| 15910 1182 1180 1195 1197 3 | |
| 15911 1180 1182 1184 1185 3 | |
| 15912 1180 1182 1184 1186 3 | |
| 15913 1180 1182 1184 1191 3 | |
| 15914 1183 1182 1184 1185 3 | |
| 15915 1183 1182 1184 1186 3 | |
| 15916 1183 1182 1184 1191 3 | |
| 15917 1187 1182 1184 1185 3 | |
| 15918 1187 1182 1184 1186 3 | |
| 15919 1187 1182 1184 1191 3 | |
| 15920 1180 1182 1187 1188 3 | |
| 15921 1180 1182 1187 1189 3 | |
| 15922 1180 1182 1187 1190 3 | |
| 15923 1183 1182 1187 1188 3 | |
| 15924 1183 1182 1187 1189 3 | |
| 15925 1183 1182 1187 1190 3 | |
| 15926 1184 1182 1187 1188 3 | |
| 15927 1184 1182 1187 1189 3 | |
| 15928 1184 1182 1187 1190 3 | |
| 15929 1182 1184 1191 1192 3 | |
| 15930 1182 1184 1191 1193 3 | |
| 15931 1182 1184 1191 1194 3 | |
| 15932 1185 1184 1191 1192 3 | |
| 15933 1185 1184 1191 1193 3 | |
| 15934 1185 1184 1191 1194 3 | |
| 15935 1186 1184 1191 1192 3 | |
| 15936 1186 1184 1191 1193 3 | |
| 15937 1186 1184 1191 1194 3 | |
| 15938 1180 1195 1197 1198 3 | |
| 15939 1180 1195 1197 1206 3 | |
| 15940 1196 1195 1197 1198 3 | |
| 15941 1196 1195 1197 1206 3 | |
| 15942 1195 1197 1198 1199 3 | |
| 15943 1195 1197 1198 1200 3 | |
| 15944 1195 1197 1198 1209 3 | |
| 15945 1206 1197 1198 1199 3 | |
| 15946 1206 1197 1198 1200 3 | |
| 15947 1206 1197 1198 1209 3 | |
| 15948 1195 1197 1206 1203 3 | |
| 15949 1195 1197 1206 1207 3 | |
| 15950 1195 1197 1206 1208 3 | |
| 15951 1198 1197 1206 1203 3 | |
| 15952 1198 1197 1206 1207 3 | |
| 15953 1198 1197 1206 1208 3 | |
| 15954 1197 1198 1200 1201 3 | |
| 15955 1197 1198 1200 1202 3 | |
| 15956 1197 1198 1200 1203 3 | |
| 15957 1199 1198 1200 1201 3 | |
| 15958 1199 1198 1200 1202 3 | |
| 15959 1199 1198 1200 1203 3 | |
| 15960 1209 1198 1200 1201 3 | |
| 15961 1209 1198 1200 1202 3 | |
| 15962 1209 1198 1200 1203 3 | |
| 15963 1197 1198 1209 1210 3 | |
| 15964 1197 1198 1209 1211 3 | |
| 15965 1199 1198 1209 1210 3 | |
| 15966 1199 1198 1209 1211 3 | |
| 15967 1200 1198 1209 1210 3 | |
| 15968 1200 1198 1209 1211 3 | |
| 15969 1198 1200 1203 1204 3 | |
| 15970 1198 1200 1203 1205 3 | |
| 15971 1198 1200 1203 1206 3 | |
| 15972 1201 1200 1203 1204 3 | |
| 15973 1201 1200 1203 1205 3 | |
| 15974 1201 1200 1203 1206 3 | |
| 15975 1202 1200 1203 1204 3 | |
| 15976 1202 1200 1203 1205 3 | |
| 15977 1202 1200 1203 1206 3 | |
| 15978 1200 1203 1206 1197 3 | |
| 15979 1200 1203 1206 1207 3 | |
| 15980 1200 1203 1206 1208 3 | |
| 15981 1204 1203 1206 1197 3 | |
| 15982 1204 1203 1206 1207 3 | |
| 15983 1204 1203 1206 1208 3 | |
| 15984 1205 1203 1206 1197 3 | |
| 15985 1205 1203 1206 1207 3 | |
| 15986 1205 1203 1206 1208 3 | |
| 15987 1198 1209 1211 1212 3 | |
| 15988 1198 1209 1211 1213 3 | |
| 15989 1210 1209 1211 1212 3 | |
| 15990 1210 1209 1211 1213 3 | |
| 15991 1209 1211 1213 1214 3 | |
| 15992 1209 1211 1213 1215 3 | |
| 15993 1209 1211 1213 1219 3 | |
| 15994 1212 1211 1213 1214 3 | |
| 15995 1212 1211 1213 1215 3 | |
| 15996 1212 1211 1213 1219 3 | |
| 15997 1211 1213 1215 1218 3 dih_CYS_chi1_N_C_C_S | |
| 15998 1219 1213 1215 1218 3 dih_CYS_chi1_CO_C_C_S | |
| 15999 1211 1213 1215 1216 3 | |
| 16000 1211 1213 1215 1217 3 | |
| 16001 1214 1213 1215 1216 3 | |
| 16002 1214 1213 1215 1217 3 | |
| 16003 1214 1213 1215 1218 3 | |
| 16004 1219 1213 1215 1216 3 | |
| 16005 1219 1213 1215 1217 3 | |
| 16006 1211 1213 1219 1220 3 | |
| 16007 1211 1213 1219 1221 3 | |
| 16008 1214 1213 1219 1220 3 | |
| 16009 1214 1213 1219 1221 3 | |
| 16010 1215 1213 1219 1220 3 | |
| 16011 1215 1213 1219 1221 3 | |
| 16012 1213 1215 1218 991 3 | |
| 16013 1216 1215 1218 991 3 | |
| 16014 1217 1215 1218 991 3 | |
| 16015 1213 1219 1221 1222 3 | |
| 16016 1213 1219 1221 1223 3 | |
| 16017 1220 1219 1221 1222 3 | |
| 16018 1220 1219 1221 1223 3 | |
| 16019 1219 1221 1223 1224 3 | |
| 16020 1219 1221 1223 1225 3 | |
| 16021 1219 1221 1223 1230 3 | |
| 16022 1222 1221 1223 1224 3 | |
| 16023 1222 1221 1223 1225 3 | |
| 16024 1222 1221 1223 1230 3 | |
| 16025 1221 1223 1225 1228 3 dih_SER_THR_chi1_N_C_C_O | |
| 16026 1230 1223 1225 1228 3 dih_SER_THR_chi1_CO_C_C_O | |
| 16027 1221 1223 1225 1226 3 | |
| 16028 1221 1223 1225 1227 3 | |
| 16029 1224 1223 1225 1226 3 | |
| 16030 1224 1223 1225 1227 3 | |
| 16031 1224 1223 1225 1228 3 | |
| 16032 1230 1223 1225 1226 3 | |
| 16033 1230 1223 1225 1227 3 | |
| 16034 1221 1223 1230 1231 3 | |
| 16035 1221 1223 1230 1232 3 | |
| 16036 1224 1223 1230 1231 3 | |
| 16037 1224 1223 1230 1232 3 | |
| 16038 1225 1223 1230 1231 3 | |
| 16039 1225 1223 1230 1232 3 | |
| 16040 1223 1225 1228 1229 3 dih_SER_THR_chi2_C_C_OH_HO | |
| 16041 1226 1225 1228 1229 3 | |
| 16042 1227 1225 1228 1229 3 | |
| 16043 1223 1230 1232 1233 3 | |
| 16044 1223 1230 1232 1234 3 | |
| 16045 1231 1230 1232 1233 3 | |
| 16046 1231 1230 1232 1234 3 | |
| 16047 1230 1232 1234 1235 3 | |
| 16048 1230 1232 1234 1236 3 | |
| 16049 1230 1232 1234 1240 3 | |
| 16050 1233 1232 1234 1235 3 | |
| 16051 1233 1232 1234 1236 3 | |
| 16052 1233 1232 1234 1240 3 | |
| 16053 1232 1234 1236 1237 3 | |
| 16054 1232 1234 1236 1238 3 | |
| 16055 1232 1234 1236 1239 3 | |
| 16056 1235 1234 1236 1237 3 | |
| 16057 1235 1234 1236 1238 3 | |
| 16058 1235 1234 1236 1239 3 | |
| 16059 1240 1234 1236 1237 3 | |
| 16060 1240 1234 1236 1238 3 | |
| 16061 1240 1234 1236 1239 3 | |
| 16062 1232 1234 1240 1241 3 | |
| 16063 1232 1234 1240 1242 3 | |
| 16064 1235 1234 1240 1241 3 | |
| 16065 1235 1234 1240 1242 3 | |
| 16066 1236 1234 1240 1241 3 | |
| 16067 1236 1234 1240 1242 3 | |
| 16068 1234 1240 1242 1243 3 | |
| 16069 1234 1240 1242 1244 3 | |
| 16070 1241 1240 1242 1243 3 | |
| 16071 1241 1240 1242 1244 3 | |
| 16072 1240 1242 1244 1245 3 | |
| 16073 1240 1242 1244 1246 3 | |
| 16074 1240 1242 1244 1259 3 | |
| 16075 1243 1242 1244 1245 3 | |
| 16076 1243 1242 1244 1246 3 | |
| 16077 1243 1242 1244 1259 3 | |
| 16078 1242 1244 1246 1249 3 dih_LEU_chi1_N_C_C_C | |
| 16079 1259 1244 1246 1249 3 dih_LEU_chi1_C_C_C_CO | |
| 16080 1242 1244 1246 1247 3 | |
| 16081 1242 1244 1246 1248 3 | |
| 16082 1245 1244 1246 1247 3 | |
| 16083 1245 1244 1246 1248 3 | |
| 16084 1245 1244 1246 1249 3 | |
| 16085 1259 1244 1246 1247 3 | |
| 16086 1259 1244 1246 1248 3 | |
| 16087 1242 1244 1259 1260 3 | |
| 16088 1242 1244 1259 1261 3 | |
| 16089 1245 1244 1259 1260 3 | |
| 16090 1245 1244 1259 1261 3 | |
| 16091 1246 1244 1259 1260 3 | |
| 16092 1246 1244 1259 1261 3 | |
| 16093 1244 1246 1249 1250 3 | |
| 16094 1244 1246 1249 1251 3 | |
| 16095 1244 1246 1249 1255 3 | |
| 16096 1247 1246 1249 1250 3 | |
| 16097 1247 1246 1249 1251 3 | |
| 16098 1247 1246 1249 1255 3 | |
| 16099 1248 1246 1249 1250 3 | |
| 16100 1248 1246 1249 1251 3 | |
| 16101 1248 1246 1249 1255 3 | |
| 16102 1246 1249 1251 1252 3 | |
| 16103 1246 1249 1251 1253 3 | |
| 16104 1246 1249 1251 1254 3 | |
| 16105 1250 1249 1251 1252 3 | |
| 16106 1250 1249 1251 1253 3 | |
| 16107 1250 1249 1251 1254 3 | |
| 16108 1255 1249 1251 1252 3 | |
| 16109 1255 1249 1251 1253 3 | |
| 16110 1255 1249 1251 1254 3 | |
| 16111 1246 1249 1255 1256 3 | |
| 16112 1246 1249 1255 1257 3 | |
| 16113 1246 1249 1255 1258 3 | |
| 16114 1250 1249 1255 1256 3 | |
| 16115 1250 1249 1255 1257 3 | |
| 16116 1250 1249 1255 1258 3 | |
| 16117 1251 1249 1255 1256 3 | |
| 16118 1251 1249 1255 1257 3 | |
| 16119 1251 1249 1255 1258 3 | |
| 16120 1244 1259 1261 1262 3 | |
| 16121 1244 1259 1261 1263 3 | |
| 16122 1260 1259 1261 1262 3 | |
| 16123 1260 1259 1261 1263 3 | |
| 16124 1259 1261 1263 1264 3 | |
| 16125 1259 1261 1263 1265 3 | |
| 16126 1259 1261 1263 1278 3 | |
| 16127 1262 1261 1263 1264 3 | |
| 16128 1262 1261 1263 1265 3 | |
| 16129 1262 1261 1263 1278 3 | |
| 16130 1261 1263 1265 1268 3 dih_LEU_chi1_N_C_C_C | |
| 16131 1278 1263 1265 1268 3 dih_LEU_chi1_C_C_C_CO | |
| 16132 1261 1263 1265 1266 3 | |
| 16133 1261 1263 1265 1267 3 | |
| 16134 1264 1263 1265 1266 3 | |
| 16135 1264 1263 1265 1267 3 | |
| 16136 1264 1263 1265 1268 3 | |
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| 16239 1312 1304 1306 1309 3 dih_ASP_chi1_C_C_C_CO | |
| 16240 1302 1304 1306 1307 3 | |
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| 16414 1382 1370 1372 1378 3 dih_VAL_chi1_C_C_C_CO | |
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| 16454 1384 1386 1388 1391 3 dih_ASN_chi1_N_C_C_C | |
| 16455 1396 1386 1388 1391 3 dih_ASN_chi1_C_C_C_CO | |
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| 16469 1386 1388 1391 1393 3 dih_ASN_chi2_C_C_CO_N | |
| 16470 1386 1388 1391 1392 3 | |
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| 16489 1398 1400 1402 1405 3 dih_CYS_chi1_N_C_C_S | |
| 16490 1406 1400 1402 1405 3 dih_CYS_chi1_CO_C_C_S | |
| 16491 1398 1400 1402 1403 3 | |
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| 16542 1418 1420 1422 1425 3 dih_LYS_chi1_N_C_C_C | |
| 16543 1438 1420 1422 1425 3 dih_LYS_chi1_C_C_C_CO | |
| 16544 1418 1420 1422 1423 3 | |
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| 16584 1428 1431 1434 1435 3 dih_LYS_chi5_C_C_N_H | |
| 16585 1428 1431 1434 1436 3 dih_LYS_chi5_C_C_N_H | |
| 16586 1428 1431 1434 1437 3 dih_LYS_chi5_C_C_N_H | |
| 16587 1432 1431 1434 1435 3 | |
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| 16603 1440 1442 1444 1447 3 dih_LYS_chi1_N_C_C_C | |
| 16604 1460 1442 1444 1447 3 dih_LYS_chi1_C_C_C_CO | |
| 16605 1440 1442 1444 1445 3 | |
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| 17579 1809 1808 1821 1822 3 | |
| 17580 1809 1808 1821 1823 3 | |
| 17581 1810 1808 1821 1822 3 | |
| 17582 1810 1808 1821 1823 3 | |
| 17583 1808 1810 1813 1814 3 | |
| 17584 1808 1810 1813 1815 3 | |
| 17585 1808 1810 1813 1816 3 | |
| 17586 1811 1810 1813 1814 3 | |
| 17587 1811 1810 1813 1815 3 | |
| 17588 1811 1810 1813 1816 3 | |
| 17589 1812 1810 1813 1814 3 | |
| 17590 1812 1810 1813 1815 3 | |
| 17591 1812 1810 1813 1816 3 | |
| 17592 1810 1813 1816 1818 3 dih_GLN_chi3_C_C_CO_N | |
| 17593 1810 1813 1816 1817 3 | |
| 17594 1814 1813 1816 1817 3 | |
| 17595 1814 1813 1816 1818 3 | |
| 17596 1815 1813 1816 1817 3 | |
| 17597 1815 1813 1816 1818 3 | |
| 17598 1813 1816 1818 1819 3 | |
| 17599 1813 1816 1818 1820 3 | |
| 17600 1817 1816 1818 1819 3 | |
| 17601 1817 1816 1818 1820 3 | |
| 17602 1808 1821 1823 1824 3 | |
| 17603 1808 1821 1823 1825 3 | |
| 17604 1822 1821 1823 1824 3 | |
| 17605 1822 1821 1823 1825 3 | |
| 17606 1821 1823 1825 1826 3 | |
| 17607 1821 1823 1825 1827 3 | |
| 17608 1821 1823 1825 1831 3 | |
| 17609 1824 1823 1825 1826 3 | |
| 17610 1824 1823 1825 1827 3 | |
| 17611 1824 1823 1825 1831 3 | |
| 17612 1823 1825 1827 1828 3 | |
| 17613 1823 1825 1827 1829 3 | |
| 17614 1823 1825 1827 1830 3 | |
| 17615 1826 1825 1827 1828 3 | |
| 17616 1826 1825 1827 1829 3 | |
| 17617 1826 1825 1827 1830 3 | |
| 17618 1831 1825 1827 1828 3 | |
| 17619 1831 1825 1827 1829 3 | |
| 17620 1831 1825 1827 1830 3 | |
| 17621 1823 1825 1831 1832 3 | |
| 17622 1823 1825 1831 1833 3 | |
| 17623 1826 1825 1831 1832 3 | |
| 17624 1826 1825 1831 1833 3 | |
| 17625 1827 1825 1831 1832 3 | |
| 17626 1827 1825 1831 1833 3 | |
| 17627 1825 1831 1833 1834 3 | |
| 17628 1825 1831 1833 1835 3 | |
| 17629 1832 1831 1833 1834 3 | |
| 17630 1832 1831 1833 1835 3 | |
| 17631 1831 1833 1835 1836 3 | |
| 17632 1831 1833 1835 1837 3 | |
| 17633 1831 1833 1835 1855 3 | |
| 17634 1834 1833 1835 1836 3 | |
| 17635 1834 1833 1835 1837 3 | |
| 17636 1834 1833 1835 1855 3 | |
| 17637 1833 1835 1837 1840 3 dih_TRP_chi1_N_C_C_C | |
| 17638 1855 1835 1837 1840 3 dih_TRP_chi1_C_C_C_CO | |
| 17639 1833 1835 1837 1838 3 | |
| 17640 1833 1835 1837 1839 3 | |
| 17641 1836 1835 1837 1838 3 | |
| 17642 1836 1835 1837 1839 3 | |
| 17643 1836 1835 1837 1840 3 | |
| 17644 1855 1835 1837 1838 3 | |
| 17645 1855 1835 1837 1839 3 | |
| 17646 1833 1835 1855 1856 3 | |
| 17647 1833 1835 1855 1857 3 | |
| 17648 1836 1835 1855 1856 3 | |
| 17649 1836 1835 1855 1857 3 | |
| 17650 1837 1835 1855 1856 3 | |
| 17651 1837 1835 1855 1857 3 | |
| 17652 1835 1837 1840 1841 3 | |
| 17653 1835 1837 1840 1843 3 | |
| 17654 1838 1837 1840 1841 3 | |
| 17655 1838 1837 1840 1843 3 | |
| 17656 1839 1837 1840 1841 3 | |
| 17657 1839 1837 1840 1843 3 | |
| 17658 1837 1840 1841 1842 3 | |
| 17659 1837 1840 1841 1844 3 | |
| 17660 1843 1840 1841 1842 3 | |
| 17661 1843 1840 1841 1844 3 | |
| 17662 1837 1840 1843 1846 3 | |
| 17663 1837 1840 1843 1847 3 | |
| 17664 1841 1840 1843 1846 3 | |
| 17665 1841 1840 1843 1847 3 | |
| 17666 1840 1841 1844 1845 3 | |
| 17667 1840 1841 1844 1846 3 | |
| 17668 1842 1841 1844 1845 3 | |
| 17669 1842 1841 1844 1846 3 | |
| 17670 1840 1843 1846 1844 3 | |
| 17671 1840 1843 1846 1849 3 | |
| 17672 1847 1843 1846 1844 3 | |
| 17673 1847 1843 1846 1849 3 | |
| 17674 1840 1843 1847 1848 3 | |
| 17675 1840 1843 1847 1851 3 | |
| 17676 1846 1843 1847 1848 3 | |
| 17677 1846 1843 1847 1851 3 | |
| 17678 1841 1844 1846 1843 3 | |
| 17679 1841 1844 1846 1849 3 | |
| 17680 1845 1844 1846 1843 3 | |
| 17681 1845 1844 1846 1849 3 | |
| 17682 1843 1846 1849 1850 3 | |
| 17683 1843 1846 1849 1853 3 | |
| 17684 1844 1846 1849 1850 3 | |
| 17685 1844 1846 1849 1853 3 | |
| 17686 1843 1847 1851 1852 3 | |
| 17687 1843 1847 1851 1853 3 | |
| 17688 1848 1847 1851 1852 3 | |
| 17689 1848 1847 1851 1853 3 | |
| 17690 1846 1849 1853 1851 3 | |
| 17691 1846 1849 1853 1854 3 | |
| 17692 1850 1849 1853 1851 3 | |
| 17693 1850 1849 1853 1854 3 | |
| 17694 1847 1851 1853 1849 3 | |
| 17695 1847 1851 1853 1854 3 | |
| 17696 1852 1851 1853 1849 3 | |
| 17697 1852 1851 1853 1854 3 | |
| 17698 1835 1855 1857 1858 3 | |
| 17699 1835 1855 1857 1859 3 | |
| 17700 1856 1855 1857 1858 3 | |
| 17701 1856 1855 1857 1859 3 | |
| 17702 1855 1857 1859 1860 3 | |
| 17703 1855 1857 1859 1861 3 | |
| 17704 1855 1857 1859 1874 3 | |
| 17705 1858 1857 1859 1860 3 | |
| 17706 1858 1857 1859 1861 3 | |
| 17707 1858 1857 1859 1874 3 | |
| 17708 1857 1859 1861 1863 3 dih_ILE_chi1_N_C_C_C | |
| 17709 1857 1859 1861 1866 3 dih_ILE_chi1_N_C_C_C | |
| 17710 1874 1859 1861 1863 3 dih_ILE_chi1_C_C_C_CO | |
| 17711 1874 1859 1861 1866 3 dih_ILE_chi1_C_C_C_CO | |
| 17712 1857 1859 1861 1862 3 | |
| 17713 1860 1859 1861 1862 3 | |
| 17714 1860 1859 1861 1863 3 | |
| 17715 1860 1859 1861 1866 3 | |
| 17716 1874 1859 1861 1862 3 | |
| 17717 1857 1859 1874 1875 3 | |
| 17718 1857 1859 1874 1876 3 | |
| 17719 1860 1859 1874 1875 3 | |
| 17720 1860 1859 1874 1876 3 | |
| 17721 1861 1859 1874 1875 3 | |
| 17722 1861 1859 1874 1876 3 | |
| 17723 1859 1861 1863 1864 3 | |
| 17724 1859 1861 1863 1865 3 | |
| 17725 1859 1861 1863 1870 3 | |
| 17726 1862 1861 1863 1864 3 | |
| 17727 1862 1861 1863 1865 3 | |
| 17728 1862 1861 1863 1870 3 | |
| 17729 1866 1861 1863 1864 3 | |
| 17730 1866 1861 1863 1865 3 | |
| 17731 1866 1861 1863 1870 3 | |
| 17732 1859 1861 1866 1867 3 | |
| 17733 1859 1861 1866 1868 3 | |
| 17734 1859 1861 1866 1869 3 | |
| 17735 1862 1861 1866 1867 3 | |
| 17736 1862 1861 1866 1868 3 | |
| 17737 1862 1861 1866 1869 3 | |
| 17738 1863 1861 1866 1867 3 | |
| 17739 1863 1861 1866 1868 3 | |
| 17740 1863 1861 1866 1869 3 | |
| 17741 1861 1863 1870 1871 3 | |
| 17742 1861 1863 1870 1872 3 | |
| 17743 1861 1863 1870 1873 3 | |
| 17744 1864 1863 1870 1871 3 | |
| 17745 1864 1863 1870 1872 3 | |
| 17746 1864 1863 1870 1873 3 | |
| 17747 1865 1863 1870 1871 3 | |
| 17748 1865 1863 1870 1872 3 | |
| 17749 1865 1863 1870 1873 3 | |
| 17750 1859 1874 1876 1877 3 | |
| 17751 1859 1874 1876 1878 3 | |
| 17752 1875 1874 1876 1877 3 | |
| 17753 1875 1874 1876 1878 3 | |
| 17754 1874 1876 1878 1879 3 | |
| 17755 1874 1876 1878 1880 3 | |
| 17756 1874 1876 1878 1898 3 | |
| 17757 1877 1876 1878 1879 3 | |
| 17758 1877 1876 1878 1880 3 | |
| 17759 1877 1876 1878 1898 3 | |
| 17760 1876 1878 1880 1883 3 dih_ARG_chi1_N_C_C_C | |
| 17761 1898 1878 1880 1883 3 dih_ARG_chi1_C_C_C_CO | |
| 17762 1876 1878 1880 1881 3 | |
| 17763 1876 1878 1880 1882 3 | |
| 17764 1879 1878 1880 1881 3 | |
| 17765 1879 1878 1880 1882 3 | |
| 17766 1879 1878 1880 1883 3 | |
| 17767 1898 1878 1880 1881 3 | |
| 17768 1898 1878 1880 1882 3 | |
| 17769 1876 1878 1898 1899 3 | |
| 17770 1876 1878 1898 1900 3 | |
| 17771 1879 1878 1898 1899 3 | |
| 17772 1879 1878 1898 1900 3 | |
| 17773 1880 1878 1898 1899 3 | |
| 17774 1880 1878 1898 1900 3 | |
| 17775 1878 1880 1883 1884 3 | |
| 17776 1878 1880 1883 1885 3 | |
| 17777 1878 1880 1883 1886 3 | |
| 17778 1881 1880 1883 1884 3 | |
| 17779 1881 1880 1883 1885 3 | |
| 17780 1881 1880 1883 1886 3 | |
| 17781 1882 1880 1883 1884 3 | |
| 17782 1882 1880 1883 1885 3 | |
| 17783 1882 1880 1883 1886 3 | |
| 17784 1880 1883 1886 1887 3 | |
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| 17786 1880 1883 1886 1889 3 | |
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| 17790 1885 1883 1886 1887 3 | |
| 17791 1885 1883 1886 1888 3 | |
| 17792 1885 1883 1886 1889 3 | |
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| 17799 1886 1889 1891 1892 3 | |
| 17800 1886 1889 1891 1895 3 | |
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| 17837 1907 1909 1911 1914 3 dih_CYS_chi1_N_C_C_S | |
| 17838 1915 1909 1911 1914 3 dih_CYS_chi1_CO_C_C_S | |
| 17839 1907 1909 1911 1912 3 | |
| 17840 1907 1909 1911 1913 3 | |
| 17841 1910 1909 1911 1912 3 | |
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| 17849 1910 1909 1915 1917 3 | |
| 17850 1911 1909 1915 1916 3 | |
| 17851 1911 1909 1915 1917 3 | |
| 17852 1909 1911 1914 99 3 | |
| 17853 1912 1911 1914 99 3 | |
| 17854 1913 1911 1914 99 3 | |
| 17855 1909 1915 1917 1918 3 | |
| 17856 1909 1915 1917 1919 3 | |
| 17857 1916 1915 1917 1918 3 | |
| 17858 1916 1915 1917 1919 3 | |
| 17859 1915 1917 1919 1920 3 | |
| 17860 1915 1917 1919 1921 3 | |
| 17861 1915 1917 1919 1939 3 | |
| 17862 1918 1917 1919 1920 3 | |
| 17863 1918 1917 1919 1921 3 | |
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| 17865 1917 1919 1921 1924 3 dih_ARG_chi1_N_C_C_C | |
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| 17871 1920 1919 1921 1924 3 | |
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| 17897 1926 1924 1927 1930 3 | |
| 17898 1924 1927 1930 1931 3 | |
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| 17900 1928 1927 1930 1931 3 | |
| 17901 1928 1927 1930 1932 3 | |
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| 17903 1929 1927 1930 1932 3 | |
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| 17909 1930 1932 1933 1935 3 | |
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| 17911 1936 1932 1933 1935 3 | |
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| 17919 1940 1939 1941 1943 3 | |
| 17920 1939 1941 1943 1944 3 | |
| 17921 1939 1941 1943 1945 3 | |
| 17922 1939 1941 1943 1958 3 | |
| 17923 1942 1941 1943 1944 3 | |
| 17924 1942 1941 1943 1945 3 | |
| 17925 1942 1941 1943 1958 3 | |
| 17926 1941 1943 1945 1948 3 dih_LEU_chi1_N_C_C_C | |
| 17927 1958 1943 1945 1948 3 dih_LEU_chi1_C_C_C_CO | |
| 17928 1941 1943 1945 1946 3 | |
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| 17968 | 876 |
| 17969 [ dihedrals ] | 877 [ dihedrals ] |
| 17970 ; ai aj ak al funct c0 c1 c2 c3 | 878 ; ai aj ak al funct c0 c1 c2 c3 |
| 17971 5 25 23 24 1 improper_O_C_X_Y | 879 5 25 23 24 1 improper_O_C_X_Y |
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| 17980 51 57 55 56 1 improper_Z_CA_X_Y | 888 51 57 55 56 1 improper_Z_CA_X_Y |
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| 17983 63 68 66 67 1 improper_O_C_X_Y | 891 63 68 66 67 1 improper_O_C_X_Y |
| 17984 66 70 68 69 1 improper_Z_N_X_Y | 892 66 70 68 69 1 improper_Z_N_X_Y |
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| 18061 410 422 420 421 1 improper_O_C_X_Y | |
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| 18083 512 516 514 515 1 improper_Z_N_X_Y | |
| 18084 516 534 532 533 1 improper_O_C_X_Y | |
| 18085 518 521 524 522 1 improper_Z_CA_X_Y | |
| 18086 521 526 522 523 1 improper_Z_CA_X_Y | |
| 18087 521 528 524 525 1 improper_Z_CA_X_Y | |
| 18088 522 530 526 527 1 improper_Z_CA_X_Y | |
| 18089 524 530 528 529 1 improper_Z_CA_X_Y | |
| 18090 526 528 530 531 1 improper_Z_CA_X_Y | |
| 18091 532 536 534 535 1 improper_Z_N_X_Y | |
| 18092 536 549 547 548 1 improper_O_C_X_Y | |
| 18093 541 545 544 546 1 improper_O_C_X_Y | |
| 18094 547 551 549 550 1 improper_Z_N_X_Y | |
| 18095 551 560 558 559 1 improper_O_C_X_Y | |
| 18096 558 562 560 561 1 improper_Z_N_X_Y | |
| 18097 562 574 572 573 1 improper_O_C_X_Y | |
| 18098 564 569 567 568 1 improper_O_C_X_Y | |
| 18099 567 570 569 571 1 improper_Z_N_X_Y | |
| 18100 572 576 574 575 1 improper_Z_N_X_Y | |
| 18101 576 594 592 593 1 improper_O_C_X_Y | |
| 18102 578 581 584 582 1 improper_Z_CA_X_Y | |
| 18103 581 586 582 583 1 improper_Z_CA_X_Y | |
| 18104 581 588 584 585 1 improper_Z_CA_X_Y | |
| 18105 582 590 586 587 1 improper_Z_CA_X_Y | |
| 18106 584 590 588 589 1 improper_Z_CA_X_Y | |
| 18107 586 588 590 591 1 improper_Z_CA_X_Y | |
| 18108 592 596 594 595 1 improper_Z_N_X_Y | |
| 18109 596 608 606 607 1 improper_O_C_X_Y | |
| 18110 598 603 601 602 1 improper_O_C_X_Y | |
| 18111 601 604 603 605 1 improper_Z_N_X_Y | |
| 18112 606 610 608 609 1 improper_Z_N_X_Y | |
| 18113 610 622 620 621 1 improper_O_C_X_Y | |
| 18114 620 624 622 623 1 improper_Z_N_X_Y | |
| 18115 624 639 637 638 1 improper_O_C_X_Y | |
| 18116 629 634 632 633 1 improper_O_C_X_Y | |
| 18117 632 635 634 636 1 improper_Z_N_X_Y | |
| 18118 637 641 639 640 1 improper_Z_N_X_Y | |
| 18119 641 649 647 648 1 improper_O_C_X_Y | |
| 18120 647 651 649 650 1 improper_Z_N_X_Y | |
| 18121 651 663 661 662 1 improper_O_C_X_Y | |
| 18122 661 665 663 664 1 improper_Z_N_X_Y | |
| 18123 665 677 675 676 1 improper_O_C_X_Y | |
| 18124 667 672 670 671 1 improper_O_C_X_Y | |
| 18125 670 673 672 674 1 improper_Z_N_X_Y | |
| 18126 675 679 677 678 1 improper_Z_N_X_Y | |
| 18127 679 701 699 700 1 improper_O_C_X_Y | |
| 18128 687 692 690 691 1 improper_Z_N_X_Y | |
| 18129 690 693 692 696 1 improper_O_C_X_Y | |
| 18130 692 694 693 695 1 improper_Z_N_X_Y | |
| 18131 692 697 696 698 1 improper_Z_N_X_Y | |
| 18132 699 703 701 702 1 improper_Z_N_X_Y | |
| 18133 703 715 713 714 1 improper_O_C_X_Y | |
| 18134 705 710 708 709 1 improper_O_C_X_Y | |
| 18135 708 711 710 712 1 improper_Z_N_X_Y | |
| 18136 713 717 715 716 1 improper_Z_N_X_Y | |
| 18137 717 729 727 728 1 improper_O_C_X_Y | |
| 18138 727 731 729 730 1 improper_Z_N_X_Y | |
| 18139 731 741 739 740 1 improper_O_C_X_Y | |
| 18140 733 737 736 738 1 improper_O_C_X_Y | |
| 18141 739 743 741 742 1 improper_Z_N_X_Y | |
| 18142 743 748 746 747 1 improper_O_C_X_Y | |
| 18143 746 750 748 749 1 improper_Z_N_X_Y | |
| 18144 750 759 757 758 1 improper_O_C_X_Y | |
| 18145 757 761 759 760 1 improper_Z_N_X_Y | |
| 18146 761 773 771 772 1 improper_O_C_X_Y | |
| 18147 771 775 773 774 1 improper_Z_N_X_Y | |
| 18148 775 785 783 784 1 improper_O_C_X_Y | |
| 18149 777 781 780 782 1 improper_O_C_X_Y | |
| 18150 783 787 785 786 1 improper_Z_N_X_Y | |
| 18151 787 806 804 805 1 improper_O_C_X_Y | |
| 18152 789 792 795 793 1 improper_Z_CA_X_Y | |
| 18153 792 797 793 794 1 improper_Z_CA_X_Y | |
| 18154 792 799 795 796 1 improper_Z_CA_X_Y | |
| 18155 793 801 797 798 1 improper_Z_CA_X_Y | |
| 18156 795 801 799 800 1 improper_Z_CA_X_Y | |
| 18157 797 799 801 802 1 improper_Z_CA_X_Y | |
| 18158 804 808 806 807 1 improper_Z_N_X_Y | |
| 18159 808 813 811 812 1 improper_O_C_X_Y | |
| 18160 811 815 813 814 1 improper_Z_N_X_Y | |
| 18161 815 832 830 831 1 improper_O_C_X_Y | |
| 18162 830 834 832 833 1 improper_Z_N_X_Y | |
| 18163 834 851 849 850 1 improper_O_C_X_Y | |
| 18164 849 853 851 852 1 improper_Z_N_X_Y | |
| 18165 853 868 866 867 1 improper_O_C_X_Y | |
| 18166 858 863 861 862 1 improper_O_C_X_Y | |
| 18167 861 864 863 865 1 improper_Z_N_X_Y | |
| 18168 866 870 868 869 1 improper_Z_N_X_Y | |
| 18169 870 887 885 886 1 improper_O_C_X_Y | |
| 18170 885 889 887 888 1 improper_Z_N_X_Y | |
| 18171 889 901 899 900 1 improper_O_C_X_Y | |
| 18172 891 896 894 895 1 improper_O_C_X_Y | |
| 18173 894 897 896 898 1 improper_Z_N_X_Y | |
| 18174 899 903 901 902 1 improper_Z_N_X_Y | |
| 18175 903 912 910 911 1 improper_O_C_X_Y | |
| 18176 910 914 912 913 1 improper_Z_N_X_Y | |
| 18177 914 936 934 935 1 improper_O_C_X_Y | |
| 18178 922 927 925 926 1 improper_Z_N_X_Y | |
| 18179 925 928 927 931 1 improper_O_C_X_Y | |
| 18180 927 929 928 930 1 improper_Z_N_X_Y | |
| 18181 927 932 931 933 1 improper_Z_N_X_Y | |
| 18182 934 938 936 937 1 improper_Z_N_X_Y | |
| 18183 938 960 958 959 1 improper_O_C_X_Y | |
| 18184 940 943 946 944 1 improper_Z_CA_X_Y | |
| 18185 943 947 944 945 1 improper_Z_CA_X_Y | |
| 18186 944 949 947 948 1 improper_Z_N_X_Y | |
| 18187 949 956 952 953 1 improper_Z_CA_X_Y | |
| 18188 951 950 946 954 1 improper_Z_CA_X_Y | |
| 18189 952 954 956 957 1 improper_Z_CA_X_Y | |
| 18190 955 954 950 956 1 improper_Z_CA_X_Y | |
| 18191 958 962 960 961 1 improper_Z_N_X_Y | |
| 18192 962 984 982 983 1 improper_O_C_X_Y | |
| 18193 964 967 970 968 1 improper_Z_CA_X_Y | |
| 18194 967 971 968 969 1 improper_Z_CA_X_Y | |
| 18195 968 973 971 972 1 improper_Z_N_X_Y | |
| 18196 973 980 976 977 1 improper_Z_CA_X_Y | |
| 18197 975 974 970 978 1 improper_Z_CA_X_Y | |
| 18198 976 978 980 981 1 improper_Z_CA_X_Y | |
| 18199 979 978 974 980 1 improper_Z_CA_X_Y | |
| 18200 982 986 984 985 1 improper_Z_N_X_Y | |
| 18201 986 994 992 993 1 improper_O_C_X_Y | |
| 18202 992 996 994 995 1 improper_Z_N_X_Y | |
| 18203 996 1008 1006 1007 1 improper_O_C_X_Y | |
| 18204 998 1003 1001 1002 1 improper_O_C_X_Y | |
| 18205 1001 1004 1003 1005 1 improper_Z_N_X_Y | |
| 18206 1006 1010 1008 1009 1 improper_Z_N_X_Y | |
| 18207 1010 1020 1018 1019 1 improper_O_C_X_Y | |
| 18208 1012 1016 1015 1017 1 improper_O_C_X_Y | |
| 18209 1018 1022 1020 1021 1 improper_Z_N_X_Y | |
| 18210 1022 1027 1025 1026 1 improper_O_C_X_Y | |
| 18211 1025 1029 1027 1028 1 improper_Z_N_X_Y | |
| 18212 1029 1051 1049 1050 1 improper_O_C_X_Y | |
| 18213 1037 1042 1040 1041 1 improper_Z_N_X_Y | |
| 18214 1040 1043 1042 1046 1 improper_O_C_X_Y | |
| 18215 1042 1044 1043 1045 1 improper_Z_N_X_Y | |
| 18216 1042 1047 1046 1048 1 improper_Z_N_X_Y | |
| 18217 1049 1053 1051 1052 1 improper_Z_N_X_Y | |
| 18218 1053 1065 1063 1064 1 improper_O_C_X_Y | |
| 18219 1063 1066 1065 1074 1 improper_Z_N_X_Y | |
| 18220 1066 1079 1077 1078 1 improper_O_C_X_Y | |
| 18221 1077 1081 1079 1080 1 improper_Z_N_X_Y | |
| 18222 1081 1086 1084 1085 1 improper_O_C_X_Y | |
| 18223 1084 1088 1086 1087 1 improper_Z_N_X_Y | |
| 18224 1088 1097 1095 1096 1 improper_O_C_X_Y | |
| 18225 1095 1099 1097 1098 1 improper_Z_N_X_Y | |
| 18226 1099 1121 1119 1120 1 improper_O_C_X_Y | |
| 18227 1107 1112 1110 1111 1 improper_Z_N_X_Y | |
| 18228 1110 1113 1112 1116 1 improper_O_C_X_Y | |
| 18229 1112 1114 1113 1115 1 improper_Z_N_X_Y | |
| 18230 1112 1117 1116 1118 1 improper_Z_N_X_Y | |
| 18231 1119 1123 1121 1122 1 improper_Z_N_X_Y | |
| 18232 1123 1135 1133 1134 1 improper_O_C_X_Y | |
| 18233 1125 1130 1128 1129 1 improper_O_C_X_Y | |
| 18234 1128 1131 1130 1132 1 improper_Z_N_X_Y | |
| 18235 1133 1137 1135 1136 1 improper_Z_N_X_Y | |
| 18236 1137 1154 1152 1153 1 improper_O_C_X_Y | |
| 18237 1152 1156 1154 1155 1 improper_Z_N_X_Y | |
| 18238 1156 1164 1162 1163 1 improper_O_C_X_Y | |
| 18239 1162 1166 1164 1165 1 improper_Z_N_X_Y | |
| 18240 1166 1178 1176 1177 1 improper_O_C_X_Y | |
| 18241 1168 1173 1171 1172 1 improper_O_C_X_Y | |
| 18242 1171 1174 1173 1175 1 improper_Z_N_X_Y | |
| 18243 1176 1180 1178 1179 1 improper_Z_N_X_Y | |
| 18244 1180 1197 1195 1196 1 improper_O_C_X_Y | |
| 18245 1195 1198 1197 1206 1 improper_Z_N_X_Y | |
| 18246 1198 1211 1209 1210 1 improper_O_C_X_Y | |
| 18247 1209 1213 1211 1212 1 improper_Z_N_X_Y | |
| 18248 1213 1221 1219 1220 1 improper_O_C_X_Y | |
| 18249 1219 1223 1221 1222 1 improper_Z_N_X_Y | |
| 18250 1223 1232 1230 1231 1 improper_O_C_X_Y | |
| 18251 1230 1234 1232 1233 1 improper_Z_N_X_Y | |
| 18252 1234 1242 1240 1241 1 improper_O_C_X_Y | |
| 18253 1240 1244 1242 1243 1 improper_Z_N_X_Y | |
| 18254 1244 1261 1259 1260 1 improper_O_C_X_Y | |
| 18255 1259 1263 1261 1262 1 improper_Z_N_X_Y | |
| 18256 1263 1280 1278 1279 1 improper_O_C_X_Y | |
| 18257 1278 1282 1280 1281 1 improper_Z_N_X_Y | |
| 18258 1282 1291 1289 1290 1 improper_O_C_X_Y | |
| 18259 1289 1293 1291 1292 1 improper_Z_N_X_Y | |
| 18260 1293 1302 1300 1301 1 improper_O_C_X_Y | |
| 18261 1300 1304 1302 1303 1 improper_Z_N_X_Y | |
| 18262 1304 1314 1312 1313 1 improper_O_C_X_Y | |
| 18263 1306 1310 1309 1311 1 improper_O_C_X_Y | |
| 18264 1312 1316 1314 1315 1 improper_Z_N_X_Y | |
| 18265 1316 1333 1331 1332 1 improper_O_C_X_Y | |
| 18266 1331 1335 1333 1334 1 improper_Z_N_X_Y | |
| 18267 1335 1347 1345 1346 1 improper_O_C_X_Y | |
| 18268 1345 1349 1347 1348 1 improper_Z_N_X_Y | |
| 18269 1349 1357 1355 1356 1 improper_O_C_X_Y | |
| 18270 1355 1359 1357 1358 1 improper_Z_N_X_Y | |
| 18271 1359 1368 1366 1367 1 improper_O_C_X_Y | |
| 18272 1366 1370 1368 1369 1 improper_Z_N_X_Y | |
| 18273 1370 1384 1382 1383 1 improper_O_C_X_Y | |
| 18274 1382 1386 1384 1385 1 improper_Z_N_X_Y | |
| 18275 1386 1398 1396 1397 1 improper_O_C_X_Y | |
| 18276 1388 1393 1391 1392 1 improper_O_C_X_Y | |
| 18277 1391 1394 1393 1395 1 improper_Z_N_X_Y | |
| 18278 1396 1400 1398 1399 1 improper_Z_N_X_Y | |
| 18279 1400 1408 1406 1407 1 improper_O_C_X_Y | |
| 18280 1406 1410 1408 1409 1 improper_Z_N_X_Y | |
| 18281 1410 1418 1416 1417 1 improper_O_C_X_Y | |
| 18282 1416 1420 1418 1419 1 improper_Z_N_X_Y | |
| 18283 1420 1440 1438 1439 1 improper_O_C_X_Y | |
| 18284 1438 1442 1440 1441 1 improper_Z_N_X_Y | |
| 18285 1442 1462 1460 1461 1 improper_O_C_X_Y | |
| 18286 1460 1464 1462 1463 1 improper_Z_N_X_Y | |
| 18287 1464 1481 1479 1480 1 improper_O_C_X_Y | |
| 18288 1479 1483 1481 1482 1 improper_Z_N_X_Y | |
| 18289 1483 1497 1495 1496 1 improper_O_C_X_Y | |
| 18290 1495 1499 1497 1498 1 improper_Z_N_X_Y | |
| 18291 1499 1508 1506 1507 1 improper_O_C_X_Y | |
| 18292 1506 1510 1508 1509 1 improper_Z_N_X_Y | |
| 18293 1510 1520 1518 1519 1 improper_O_C_X_Y | |
| 18294 1512 1516 1515 1517 1 improper_O_C_X_Y | |
| 18295 1518 1522 1520 1521 1 improper_Z_N_X_Y | |
| 18296 1522 1527 1525 1526 1 improper_O_C_X_Y | |
| 18297 1525 1529 1527 1528 1 improper_Z_N_X_Y | |
| 18298 1529 1541 1539 1540 1 improper_O_C_X_Y | |
| 18299 1531 1536 1534 1535 1 improper_O_C_X_Y | |
| 18300 1534 1537 1536 1538 1 improper_Z_N_X_Y | |
| 18301 1539 1543 1541 1542 1 improper_Z_N_X_Y | |
| 18302 1543 1548 1546 1547 1 improper_O_C_X_Y | |
| 18303 1546 1550 1548 1549 1 improper_Z_N_X_Y | |
| 18304 1550 1565 1563 1564 1 improper_O_C_X_Y | |
| 18305 1563 1567 1565 1566 1 improper_Z_N_X_Y | |
| 18306 1567 1579 1577 1578 1 improper_O_C_X_Y | |
| 18307 1569 1574 1572 1573 1 improper_O_C_X_Y | |
| 18308 1572 1575 1574 1576 1 improper_Z_N_X_Y | |
| 18309 1577 1581 1579 1580 1 improper_Z_N_X_Y | |
| 18310 1581 1589 1587 1588 1 improper_O_C_X_Y | |
| 18311 1587 1591 1589 1590 1 improper_Z_N_X_Y | |
| 18312 1591 1613 1611 1612 1 improper_O_C_X_Y | |
| 18313 1593 1596 1599 1597 1 improper_Z_CA_X_Y | |
| 18314 1596 1600 1597 1598 1 improper_Z_CA_X_Y | |
| 18315 1597 1602 1600 1601 1 improper_Z_N_X_Y | |
| 18316 1602 1609 1605 1606 1 improper_Z_CA_X_Y | |
| 18317 1604 1603 1599 1607 1 improper_Z_CA_X_Y | |
| 18318 1605 1607 1609 1610 1 improper_Z_CA_X_Y | |
| 18319 1608 1607 1603 1609 1 improper_Z_CA_X_Y | |
| 18320 1611 1615 1613 1614 1 improper_Z_N_X_Y | |
| 18321 1615 1629 1627 1628 1 improper_O_C_X_Y | |
| 18322 1627 1631 1629 1630 1 improper_Z_N_X_Y | |
| 18323 1631 1639 1637 1638 1 improper_O_C_X_Y | |
| 18324 1637 1641 1639 1640 1 improper_Z_N_X_Y | |
| 18325 1641 1663 1661 1662 1 improper_O_C_X_Y | |
| 18326 1643 1646 1649 1647 1 improper_Z_CA_X_Y | |
| 18327 1646 1650 1647 1648 1 improper_Z_CA_X_Y | |
| 18328 1647 1652 1650 1651 1 improper_Z_N_X_Y | |
| 18329 1652 1659 1655 1656 1 improper_Z_CA_X_Y | |
| 18330 1654 1653 1649 1657 1 improper_Z_CA_X_Y | |
| 18331 1655 1657 1659 1660 1 improper_Z_CA_X_Y | |
| 18332 1658 1657 1653 1659 1 improper_Z_CA_X_Y | |
| 18333 1661 1665 1663 1664 1 improper_Z_N_X_Y | |
| 18334 1665 1687 1685 1686 1 improper_O_C_X_Y | |
| 18335 1673 1678 1676 1677 1 improper_Z_N_X_Y | |
| 18336 1676 1679 1678 1682 1 improper_O_C_X_Y | |
| 18337 1678 1680 1679 1681 1 improper_Z_N_X_Y | |
| 18338 1678 1683 1682 1684 1 improper_Z_N_X_Y | |
| 18339 1685 1689 1687 1688 1 improper_Z_N_X_Y | |
| 18340 1689 1701 1699 1700 1 improper_O_C_X_Y | |
| 18341 1691 1696 1694 1695 1 improper_O_C_X_Y | |
| 18342 1694 1697 1696 1698 1 improper_Z_N_X_Y | |
| 18343 1699 1703 1701 1702 1 improper_Z_N_X_Y | |
| 18344 1703 1725 1723 1724 1 improper_O_C_X_Y | |
| 18345 1711 1716 1714 1715 1 improper_Z_N_X_Y | |
| 18346 1714 1717 1716 1720 1 improper_O_C_X_Y | |
| 18347 1716 1718 1717 1719 1 improper_Z_N_X_Y | |
| 18348 1716 1721 1720 1722 1 improper_Z_N_X_Y | |
| 18349 1723 1727 1725 1726 1 improper_Z_N_X_Y | |
| 18350 1727 1735 1733 1734 1 improper_O_C_X_Y | |
| 18351 1733 1737 1735 1736 1 improper_Z_N_X_Y | |
| 18352 1737 1757 1755 1756 1 improper_O_C_X_Y | |
| 18353 1755 1759 1757 1758 1 improper_Z_N_X_Y | |
| 18354 1759 1764 1762 1763 1 improper_O_C_X_Y | |
| 18355 1762 1766 1764 1765 1 improper_Z_N_X_Y | |
| 18356 1766 1778 1776 1777 1 improper_O_C_X_Y | |
| 18357 1776 1780 1778 1779 1 improper_Z_N_X_Y | |
| 18358 1780 1790 1788 1789 1 improper_O_C_X_Y | |
| 18359 1782 1786 1785 1787 1 improper_O_C_X_Y | |
| 18360 1788 1792 1790 1791 1 improper_Z_N_X_Y | |
| 18361 1792 1806 1804 1805 1 improper_O_C_X_Y | |
| 18362 1804 1808 1806 1807 1 improper_Z_N_X_Y | |
| 18363 1808 1823 1821 1822 1 improper_O_C_X_Y | |
| 18364 1813 1818 1816 1817 1 improper_O_C_X_Y | |
| 18365 1816 1819 1818 1820 1 improper_Z_N_X_Y | |
| 18366 1821 1825 1823 1824 1 improper_Z_N_X_Y | |
| 18367 1825 1833 1831 1832 1 improper_O_C_X_Y | |
| 18368 1831 1835 1833 1834 1 improper_Z_N_X_Y | |
| 18369 1835 1857 1855 1856 1 improper_O_C_X_Y | |
| 18370 1837 1840 1843 1841 1 improper_Z_CA_X_Y | |
| 18371 1840 1844 1841 1842 1 improper_Z_CA_X_Y | |
| 18372 1841 1846 1844 1845 1 improper_Z_N_X_Y | |
| 18373 1846 1853 1849 1850 1 improper_Z_CA_X_Y | |
| 18374 1848 1847 1843 1851 1 improper_Z_CA_X_Y | |
| 18375 1849 1851 1853 1854 1 improper_Z_CA_X_Y | |
| 18376 1852 1851 1847 1853 1 improper_Z_CA_X_Y | |
| 18377 1855 1859 1857 1858 1 improper_Z_N_X_Y | |
| 18378 1859 1876 1874 1875 1 improper_O_C_X_Y | |
| 18379 1874 1878 1876 1877 1 improper_Z_N_X_Y | |
| 18380 1878 1900 1898 1899 1 improper_O_C_X_Y | |
| 18381 1886 1891 1889 1890 1 improper_Z_N_X_Y | |
| 18382 1889 1892 1891 1895 1 improper_O_C_X_Y | |
| 18383 1891 1893 1892 1894 1 improper_Z_N_X_Y | |
| 18384 1891 1896 1895 1897 1 improper_Z_N_X_Y | |
| 18385 1898 1902 1900 1901 1 improper_Z_N_X_Y | |
| 18386 1902 1907 1905 1906 1 improper_O_C_X_Y | |
| 18387 1905 1909 1907 1908 1 improper_Z_N_X_Y | |
| 18388 1909 1917 1915 1916 1 improper_O_C_X_Y | |
| 18389 1915 1919 1917 1918 1 improper_Z_N_X_Y | |
| 18390 1919 1941 1939 1940 1 improper_O_C_X_Y | |
| 18391 1927 1932 1930 1931 1 improper_Z_N_X_Y | |
| 18392 1930 1933 1932 1936 1 improper_O_C_X_Y | |
| 18393 1932 1934 1933 1935 1 improper_Z_N_X_Y | |
| 18394 1932 1937 1936 1938 1 improper_Z_N_X_Y | |
| 18395 1939 1943 1941 1942 1 improper_Z_N_X_Y | |
| 18396 1943 1959 1958 1960 1 improper_O_C_X_Y | |
| 18397 | 898 |
| 18398 ; Include Position restraint file | 899 ; Include Position restraint file |
| 18399 #ifdef POSRES | 900 #ifdef POSRES |
| 18400 #include "posres.itp" | 901 #include "posres.itp" |
| 18401 #endif | 902 #endif |
| 18604 ; Include topology for ions | 1105 ; Include topology for ions |
| 18605 #include "oplsaa.ff/ions.itp" | 1106 #include "oplsaa.ff/ions.itp" |
| 18606 | 1107 |
| 18607 [ system ] | 1108 [ system ] |
| 18608 ; Name | 1109 ; Name |
| 18609 LYSOZYME | 1110 TEST |
| 18610 | 1111 |
| 18611 [ molecules ] | 1112 [ molecules ] |
| 18612 ; Compound #mols | 1113 ; Compound #mols |
| 18613 Protein_chain_A 1 | 1114 Protein 1 |
| 18614 SOL 78 | |
| 18615 base 1 | 1115 base 1 |
