Mercurial > repos > chemteam > gmx_setup
comparison test-data/topol.top @ 12:73d69aacd864 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 16:53:43 +0000 |
| parents | d19fdac8e940 |
| children |
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| 11:d2a6a3d4f4c8 | 12:73d69aacd864 |
|---|---|
| 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" |
| 22 | 22 |
| 23 [ moleculetype ] | 23 [ moleculetype ] |
| 24 ; Name nrexcl | 24 ; Name nrexcl |
| 25 Protein_chain_A 3 | 25 Protein 3 |
| 26 | 26 |
| 27 [ atoms ] | 27 [ atoms ] |
| 28 ; nr type resnr residue atom cgnr charge mass typeB chargeB massB | 28 ; nr type resnr residue atom cgnr charge mass typeB chargeB massB |
| 29 ; residue 1 LYS rtp LYSH q +2.0 | 29 ; residue 1 LYS rtp LYSH q +2.0 |
| 30 1 opls_287 1 LYS N 1 -0.3 14.0027 | 30 1 opls_287 1 LYS N 1 -0.3 14.0027 |
| 95 63 opls_223B 4 GLY CA 21 0.08 12.011 | 95 63 opls_223B 4 GLY CA 21 0.08 12.011 |
| 96 64 opls_140 4 GLY HA1 21 0.06 1.008 | 96 64 opls_140 4 GLY HA1 21 0.06 1.008 |
| 97 65 opls_140 4 GLY HA2 21 0.06 1.008 | 97 65 opls_140 4 GLY HA2 21 0.06 1.008 |
| 98 66 opls_235 4 GLY C 22 0.5 12.011 | 98 66 opls_235 4 GLY C 22 0.5 12.011 |
| 99 67 opls_236 4 GLY O 22 -0.5 15.9994 ; qtot 2 | 99 67 opls_236 4 GLY O 22 -0.5 15.9994 ; qtot 2 |
| 100 ; residue 5 ARG rtp ARG q +1.0 | 100 ; residue 5 ARG rtp ARG q 0.0 |
| 101 68 opls_238 5 ARG N 23 -0.5 14.0067 | 101 68 opls_238 5 ARG N 23 -0.5 14.0067 |
| 102 69 opls_241 5 ARG H 23 0.3 1.008 | 102 69 opls_241 5 ARG H 23 0.3 1.008 |
| 103 70 opls_224B 5 ARG CA 23 0.14 12.011 | 103 70 opls_283 5 ARG CA 23 0.04 12.011 |
| 104 71 opls_140 5 ARG HA 23 0.06 1.008 | 104 71 opls_140 5 ARG HA 23 0.06 1.008 |
| 105 72 opls_136 5 ARG CB 24 -0.12 12.011 | 105 72 opls_136 5 ARG CB 24 -0.12 12.011 |
| 106 73 opls_140 5 ARG HB1 24 0.06 1.008 | 106 73 opls_140 5 ARG HB1 24 0.06 1.008 |
| 107 74 opls_140 5 ARG HB2 24 0.06 1.008 | 107 74 opls_140 5 ARG HB2 24 0.06 1.008 |
| 108 75 opls_308 5 ARG CG 25 -0.05 12.011 | 108 75 opls_308 5 ARG CG 25 -0.05 12.011 |
| 118 85 opls_301 5 ARG HH11 28 0.46 1.008 | 118 85 opls_301 5 ARG HH11 28 0.46 1.008 |
| 119 86 opls_301 5 ARG HH12 28 0.46 1.008 | 119 86 opls_301 5 ARG HH12 28 0.46 1.008 |
| 120 87 opls_300 5 ARG NH2 29 -0.8 14.0067 | 120 87 opls_300 5 ARG NH2 29 -0.8 14.0067 |
| 121 88 opls_301 5 ARG HH21 29 0.46 1.008 | 121 88 opls_301 5 ARG HH21 29 0.46 1.008 |
| 122 89 opls_301 5 ARG HH22 29 0.46 1.008 | 122 89 opls_301 5 ARG HH22 29 0.46 1.008 |
| 123 90 opls_235 5 ARG C 30 0.5 12.011 | 123 90 opls_271 5 ARG C 30 0.7 12.011 |
| 124 91 opls_236 5 ARG O 30 -0.5 15.9994 ; qtot 3 | 124 91 opls_272 5 ARG O1 30 -0.8 15.9994 |
| 125 ; residue 6 CYS rtp CYS2 q 0.0 | 125 92 opls_272 5 ARG O2 30 -0.8 15.9994 ; qtot 2 |
| 126 92 opls_238 6 CYS N 31 -0.5 14.0067 | |
| 127 93 opls_241 6 CYS H 31 0.3 1.008 | |
| 128 94 opls_224B 6 CYS CA 31 0.14 12.011 | |
| 129 95 opls_140 6 CYS HA 31 0.06 1.008 | |
| 130 96 opls_214 6 CYS CB 32 0.0975 12.011 | |
| 131 97 opls_140 6 CYS HB1 32 0.06 1.008 | |
| 132 98 opls_140 6 CYS HB2 32 0.06 1.008 | |
| 133 99 opls_203 6 CYS SG 32 -0.2175 32.06 | |
| 134 100 opls_235 6 CYS C 33 0.5 12.011 | |
| 135 101 opls_236 6 CYS O 33 -0.5 15.9994 ; qtot 3 | |
| 136 ; residue 7 GLU rtp GLU q -1.0 | |
| 137 102 opls_238 7 GLU N 34 -0.5 14.0067 | |
| 138 103 opls_241 7 GLU H 34 0.3 1.008 | |
| 139 104 opls_224B 7 GLU CA 34 0.14 12.011 | |
| 140 105 opls_140 7 GLU HA 34 0.06 1.008 | |
| 141 106 opls_136 7 GLU CB 35 -0.12 12.011 | |
| 142 107 opls_140 7 GLU HB1 35 0.06 1.008 | |
| 143 108 opls_140 7 GLU HB2 35 0.06 1.008 | |
| 144 109 opls_274 7 GLU CG 36 -0.22 12.011 | |
| 145 110 opls_140 7 GLU HG1 36 0.06 1.008 | |
| 146 111 opls_140 7 GLU HG2 36 0.06 1.008 | |
| 147 112 opls_271 7 GLU CD 37 0.7 12.011 | |
| 148 113 opls_272 7 GLU OE1 37 -0.8 15.9994 | |
| 149 114 opls_272 7 GLU OE2 37 -0.8 15.9994 | |
| 150 115 opls_235 7 GLU C 38 0.5 12.011 | |
| 151 116 opls_236 7 GLU O 38 -0.5 15.9994 ; qtot 2 | |
| 152 ; residue 8 LEU rtp LEU q 0.0 | |
| 153 117 opls_238 8 LEU N 39 -0.5 14.0067 | |
| 154 118 opls_241 8 LEU H 39 0.3 1.008 | |
| 155 119 opls_224B 8 LEU CA 39 0.14 12.011 | |
| 156 120 opls_140 8 LEU HA 39 0.06 1.008 | |
| 157 121 opls_136 8 LEU CB 40 -0.12 12.011 | |
| 158 122 opls_140 8 LEU HB1 40 0.06 1.008 | |
| 159 123 opls_140 8 LEU HB2 40 0.06 1.008 | |
| 160 124 opls_137 8 LEU CG 41 -0.06 12.011 | |
| 161 125 opls_140 8 LEU HG 41 0.06 1.008 | |
| 162 126 opls_135 8 LEU CD1 42 -0.18 12.011 | |
| 163 127 opls_140 8 LEU HD11 42 0.06 1.008 | |
| 164 128 opls_140 8 LEU HD12 42 0.06 1.008 | |
| 165 129 opls_140 8 LEU HD13 42 0.06 1.008 | |
| 166 130 opls_135 8 LEU CD2 43 -0.18 12.011 | |
| 167 131 opls_140 8 LEU HD21 43 0.06 1.008 | |
| 168 132 opls_140 8 LEU HD22 43 0.06 1.008 | |
| 169 133 opls_140 8 LEU HD23 43 0.06 1.008 | |
| 170 134 opls_235 8 LEU C 44 0.5 12.011 | |
| 171 135 opls_236 8 LEU O 44 -0.5 15.9994 ; qtot 2 | |
| 172 ; residue 9 ALA rtp ALA q 0.0 | |
| 173 136 opls_238 9 ALA N 45 -0.5 14.0067 | |
| 174 137 opls_241 9 ALA H 45 0.3 1.008 | |
| 175 138 opls_224B 9 ALA CA 45 0.14 12.011 | |
| 176 139 opls_140 9 ALA HA 45 0.06 1.008 | |
| 177 140 opls_135 9 ALA CB 46 -0.18 12.011 | |
| 178 141 opls_140 9 ALA HB1 46 0.06 1.008 | |
| 179 142 opls_140 9 ALA HB2 46 0.06 1.008 | |
| 180 143 opls_140 9 ALA HB3 46 0.06 1.008 | |
| 181 144 opls_235 9 ALA C 47 0.5 12.011 | |
| 182 145 opls_236 9 ALA O 47 -0.5 15.9994 ; qtot 2 | |
| 183 ; residue 10 ALA rtp ALA q 0.0 | |
| 184 146 opls_238 10 ALA N 48 -0.5 14.0067 | |
| 185 147 opls_241 10 ALA H 48 0.3 1.008 | |
| 186 148 opls_224B 10 ALA CA 48 0.14 12.011 | |
| 187 149 opls_140 10 ALA HA 48 0.06 1.008 | |
| 188 150 opls_135 10 ALA CB 49 -0.18 12.011 | |
| 189 151 opls_140 10 ALA HB1 49 0.06 1.008 | |
| 190 152 opls_140 10 ALA HB2 49 0.06 1.008 | |
| 191 153 opls_140 10 ALA HB3 49 0.06 1.008 | |
| 192 154 opls_235 10 ALA C 50 0.5 12.011 | |
| 193 155 opls_236 10 ALA O 50 -0.5 15.9994 ; qtot 2 | |
| 194 ; residue 11 ALA rtp ALA q 0.0 | |
| 195 156 opls_238 11 ALA N 51 -0.5 14.0067 | |
| 196 157 opls_241 11 ALA H 51 0.3 1.008 | |
| 197 158 opls_224B 11 ALA CA 51 0.14 12.011 | |
| 198 159 opls_140 11 ALA HA 51 0.06 1.008 | |
| 199 160 opls_135 11 ALA CB 52 -0.18 12.011 | |
| 200 161 opls_140 11 ALA HB1 52 0.06 1.008 | |
| 201 162 opls_140 11 ALA HB2 52 0.06 1.008 | |
| 202 163 opls_140 11 ALA HB3 52 0.06 1.008 | |
| 203 164 opls_235 11 ALA C 53 0.5 12.011 | |
| 204 165 opls_236 11 ALA O 53 -0.5 15.9994 ; qtot 2 | |
| 205 ; residue 12 MET rtp MET q 0.0 | |
| 206 166 opls_238 12 MET N 54 -0.5 14.0067 | |
| 207 167 opls_241 12 MET H 54 0.3 1.008 | |
| 208 168 opls_224B 12 MET CA 54 0.14 12.011 | |
| 209 169 opls_140 12 MET HA 54 0.06 1.008 | |
| 210 170 opls_136 12 MET CB 55 -0.12 12.011 | |
| 211 171 opls_140 12 MET HB1 55 0.06 1.008 | |
| 212 172 opls_140 12 MET HB2 55 0.06 1.008 | |
| 213 173 opls_210 12 MET CG 56 0.048 12.011 | |
| 214 174 opls_140 12 MET HG1 56 0.06 1.008 | |
| 215 175 opls_140 12 MET HG2 56 0.06 1.008 | |
| 216 176 opls_202 12 MET SD 57 -0.335 32.06 | |
| 217 177 opls_209 12 MET CE 58 -0.013 12.011 | |
| 218 178 opls_140 12 MET HE1 58 0.06 1.008 | |
| 219 179 opls_140 12 MET HE2 58 0.06 1.008 | |
| 220 180 opls_140 12 MET HE3 58 0.06 1.008 | |
| 221 181 opls_235 12 MET C 59 0.5 12.011 | |
| 222 182 opls_236 12 MET O 59 -0.5 15.9994 ; qtot 2 | |
| 223 ; residue 13 LYS rtp LYSH q +1.0 | |
| 224 183 opls_238 13 LYS N 60 -0.5 14.0067 | |
| 225 184 opls_241 13 LYS H 60 0.3 1.008 | |
| 226 185 opls_224B 13 LYS CA 60 0.14 12.011 | |
| 227 186 opls_140 13 LYS HA 60 0.06 1.008 | |
| 228 187 opls_136 13 LYS CB 61 -0.12 12.011 | |
| 229 188 opls_140 13 LYS HB1 61 0.06 1.008 | |
| 230 189 opls_140 13 LYS HB2 61 0.06 1.008 | |
| 231 190 opls_136 13 LYS CG 62 -0.12 12.011 | |
| 232 191 opls_140 13 LYS HG1 62 0.06 1.008 | |
| 233 192 opls_140 13 LYS HG2 62 0.06 1.008 | |
| 234 193 opls_136 13 LYS CD 63 -0.12 12.011 | |
| 235 194 opls_140 13 LYS HD1 63 0.06 1.008 | |
| 236 195 opls_140 13 LYS HD2 63 0.06 1.008 | |
| 237 196 opls_292 13 LYS CE 64 0.19 12.011 | |
| 238 197 opls_140 13 LYS HE1 64 0.06 1.008 | |
| 239 198 opls_140 13 LYS HE2 64 0.06 1.008 | |
| 240 199 opls_287 13 LYS NZ 65 -0.3 14.0067 | |
| 241 200 opls_290 13 LYS HZ1 65 0.33 1.008 | |
| 242 201 opls_290 13 LYS HZ2 65 0.33 1.008 | |
| 243 202 opls_290 13 LYS HZ3 65 0.33 1.008 | |
| 244 203 opls_235 13 LYS C 66 0.5 12.011 | |
| 245 204 opls_236 13 LYS O 66 -0.5 15.9994 ; qtot 3 | |
| 246 ; residue 14 ARG rtp ARG q +1.0 | |
| 247 205 opls_238 14 ARG N 67 -0.5 14.0067 | |
| 248 206 opls_241 14 ARG H 67 0.3 1.008 | |
| 249 207 opls_224B 14 ARG CA 67 0.14 12.011 | |
| 250 208 opls_140 14 ARG HA 67 0.06 1.008 | |
| 251 209 opls_136 14 ARG CB 68 -0.12 12.011 | |
| 252 210 opls_140 14 ARG HB1 68 0.06 1.008 | |
| 253 211 opls_140 14 ARG HB2 68 0.06 1.008 | |
| 254 212 opls_308 14 ARG CG 69 -0.05 12.011 | |
| 255 213 opls_140 14 ARG HG1 69 0.06 1.008 | |
| 256 214 opls_140 14 ARG HG2 69 0.06 1.008 | |
| 257 215 opls_307 14 ARG CD 70 0.19 12.011 | |
| 258 216 opls_140 14 ARG HD1 70 0.06 1.008 | |
| 259 217 opls_140 14 ARG HD2 70 0.06 1.008 | |
| 260 218 opls_303 14 ARG NE 71 -0.7 14.0067 | |
| 261 219 opls_304 14 ARG HE 71 0.44 1.008 | |
| 262 220 opls_302 14 ARG CZ 71 0.64 12.011 | |
| 263 221 opls_300 14 ARG NH1 72 -0.8 14.0067 | |
| 264 222 opls_301 14 ARG HH11 72 0.46 1.008 | |
| 265 223 opls_301 14 ARG HH12 72 0.46 1.008 | |
| 266 224 opls_300 14 ARG NH2 73 -0.8 14.0067 | |
| 267 225 opls_301 14 ARG HH21 73 0.46 1.008 | |
| 268 226 opls_301 14 ARG HH22 73 0.46 1.008 | |
| 269 227 opls_235 14 ARG C 74 0.5 12.011 | |
| 270 228 opls_236 14 ARG O 74 -0.5 15.9994 ; qtot 4 | |
| 271 ; residue 15 HIS rtp HISE q 0.0 | |
| 272 229 opls_238 15 HIS N 75 -0.5 14.0067 | |
| 273 230 opls_241 15 HIS H 75 0.3 1.008 | |
| 274 231 opls_224B 15 HIS CA 75 0.14 12.011 | |
| 275 232 opls_140 15 HIS HA 75 0.06 1.008 | |
| 276 233 opls_505 15 HIS CB 76 -0.005 12.011 | |
| 277 234 opls_140 15 HIS HB1 76 0.06 1.008 | |
| 278 235 opls_140 15 HIS HB2 76 0.06 1.008 | |
| 279 236 opls_507 15 HIS CG 77 -0.015 12.011 | |
| 280 237 opls_511 15 HIS ND1 77 -0.49 14.0067 | |
| 281 238 opls_508 15 HIS CD2 78 0.015 12.011 | |
| 282 239 opls_146 15 HIS HD2 78 0.115 1.008 | |
| 283 240 opls_506 15 HIS CE1 79 0.295 12.011 | |
| 284 241 opls_146 15 HIS HE1 79 0.115 1.008 | |
| 285 242 opls_503 15 HIS NE2 80 -0.57 14.0067 | |
| 286 243 opls_504 15 HIS HE2 80 0.42 1.008 | |
| 287 244 opls_235 15 HIS C 81 0.5 12.011 | |
| 288 245 opls_236 15 HIS O 81 -0.5 15.9994 ; qtot 4 | |
| 289 ; residue 16 GLY rtp GLY q 0.0 | |
| 290 246 opls_238 16 GLY N 82 -0.5 14.0067 | |
| 291 247 opls_241 16 GLY H 82 0.3 1.008 | |
| 292 248 opls_223B 16 GLY CA 82 0.08 12.011 | |
| 293 249 opls_140 16 GLY HA1 82 0.06 1.008 | |
| 294 250 opls_140 16 GLY HA2 82 0.06 1.008 | |
| 295 251 opls_235 16 GLY C 83 0.5 12.011 | |
| 296 252 opls_236 16 GLY O 83 -0.5 15.9994 ; qtot 4 | |
| 297 ; residue 17 LEU rtp LEU q 0.0 | |
| 298 253 opls_238 17 LEU N 84 -0.5 14.0067 | |
| 299 254 opls_241 17 LEU H 84 0.3 1.008 | |
| 300 255 opls_224B 17 LEU CA 84 0.14 12.011 | |
| 301 256 opls_140 17 LEU HA 84 0.06 1.008 | |
| 302 257 opls_136 17 LEU CB 85 -0.12 12.011 | |
| 303 258 opls_140 17 LEU HB1 85 0.06 1.008 | |
| 304 259 opls_140 17 LEU HB2 85 0.06 1.008 | |
| 305 260 opls_137 17 LEU CG 86 -0.06 12.011 | |
| 306 261 opls_140 17 LEU HG 86 0.06 1.008 | |
| 307 262 opls_135 17 LEU CD1 87 -0.18 12.011 | |
| 308 263 opls_140 17 LEU HD11 87 0.06 1.008 | |
| 309 264 opls_140 17 LEU HD12 87 0.06 1.008 | |
| 310 265 opls_140 17 LEU HD13 87 0.06 1.008 | |
| 311 266 opls_135 17 LEU CD2 88 -0.18 12.011 | |
| 312 267 opls_140 17 LEU HD21 88 0.06 1.008 | |
| 313 268 opls_140 17 LEU HD22 88 0.06 1.008 | |
| 314 269 opls_140 17 LEU HD23 88 0.06 1.008 | |
| 315 270 opls_235 17 LEU C 89 0.5 12.011 | |
| 316 271 opls_236 17 LEU O 89 -0.5 15.9994 ; qtot 4 | |
| 317 ; residue 18 ASP rtp ASP q -1.0 | |
| 318 272 opls_238 18 ASP N 90 -0.5 14.0067 | |
| 319 273 opls_241 18 ASP H 90 0.3 1.008 | |
| 320 274 opls_224B 18 ASP CA 90 0.14 12.011 | |
| 321 275 opls_140 18 ASP HA 90 0.06 1.008 | |
| 322 276 opls_274 18 ASP CB 91 -0.22 12.011 | |
| 323 277 opls_140 18 ASP HB1 91 0.06 1.008 | |
| 324 278 opls_140 18 ASP HB2 91 0.06 1.008 | |
| 325 279 opls_271 18 ASP CG 92 0.7 12.011 | |
| 326 280 opls_272 18 ASP OD1 92 -0.8 15.9994 | |
| 327 281 opls_272 18 ASP OD2 92 -0.8 15.9994 | |
| 328 282 opls_235 18 ASP C 93 0.5 12.011 | |
| 329 283 opls_236 18 ASP O 93 -0.5 15.9994 ; qtot 3 | |
| 330 ; residue 19 ASN rtp ASN q 0.0 | |
| 331 284 opls_238 19 ASN N 94 -0.5 14.0067 | |
| 332 285 opls_241 19 ASN H 94 0.3 1.008 | |
| 333 286 opls_224B 19 ASN CA 95 0.14 12.011 | |
| 334 287 opls_140 19 ASN HA 95 0.06 1.008 | |
| 335 288 opls_136 19 ASN CB 96 -0.12 12.011 | |
| 336 289 opls_140 19 ASN HB1 96 0.06 1.008 | |
| 337 290 opls_140 19 ASN HB2 96 0.06 1.008 | |
| 338 291 opls_235 19 ASN CG 97 0.5 12.011 | |
| 339 292 opls_236 19 ASN OD1 97 -0.5 15.9994 | |
| 340 293 opls_237 19 ASN ND2 98 -0.76 14.0067 | |
| 341 294 opls_240 19 ASN HD21 98 0.38 1.008 | |
| 342 295 opls_240 19 ASN HD22 98 0.38 1.008 | |
| 343 296 opls_235 19 ASN C 99 0.5 12.011 | |
| 344 297 opls_236 19 ASN O 99 -0.5 15.9994 ; qtot 3 | |
| 345 ; residue 20 TYR rtp TYR q 0.0 | |
| 346 298 opls_238 20 TYR N 100 -0.5 14.0067 | |
| 347 299 opls_241 20 TYR H 100 0.3 1.008 | |
| 348 300 opls_224B 20 TYR CA 100 0.14 12.011 | |
| 349 301 opls_140 20 TYR HA 100 0.06 1.008 | |
| 350 302 opls_149 20 TYR CB 101 -0.005 12.011 | |
| 351 303 opls_140 20 TYR HB1 101 0.06 1.008 | |
| 352 304 opls_140 20 TYR HB2 101 0.06 1.008 | |
| 353 305 opls_145 20 TYR CG 101 -0.115 12.011 | |
| 354 306 opls_145 20 TYR CD1 102 -0.115 12.011 | |
| 355 307 opls_146 20 TYR HD1 102 0.115 1.008 | |
| 356 308 opls_145 20 TYR CD2 103 -0.115 12.011 | |
| 357 309 opls_146 20 TYR HD2 103 0.115 1.008 | |
| 358 310 opls_145 20 TYR CE1 104 -0.115 12.011 | |
| 359 311 opls_146 20 TYR HE1 104 0.115 1.008 | |
| 360 312 opls_145 20 TYR CE2 105 -0.115 12.011 | |
| 361 313 opls_146 20 TYR HE2 105 0.115 1.008 | |
| 362 314 opls_166 20 TYR CZ 106 0.15 12.011 | |
| 363 315 opls_167 20 TYR OH 106 -0.585 15.9994 | |
| 364 316 opls_168 20 TYR HH 106 0.435 1.008 | |
| 365 317 opls_235 20 TYR C 107 0.5 12.011 | |
| 366 318 opls_236 20 TYR O 107 -0.5 15.9994 ; qtot 3 | |
| 367 ; residue 21 ARG rtp ARG q +1.0 | |
| 368 319 opls_238 21 ARG N 108 -0.5 14.0067 | |
| 369 320 opls_241 21 ARG H 108 0.3 1.008 | |
| 370 321 opls_224B 21 ARG CA 108 0.14 12.011 | |
| 371 322 opls_140 21 ARG HA 108 0.06 1.008 | |
| 372 323 opls_136 21 ARG CB 109 -0.12 12.011 | |
| 373 324 opls_140 21 ARG HB1 109 0.06 1.008 | |
| 374 325 opls_140 21 ARG HB2 109 0.06 1.008 | |
| 375 326 opls_308 21 ARG CG 110 -0.05 12.011 | |
| 376 327 opls_140 21 ARG HG1 110 0.06 1.008 | |
| 377 328 opls_140 21 ARG HG2 110 0.06 1.008 | |
| 378 329 opls_307 21 ARG CD 111 0.19 12.011 | |
| 379 330 opls_140 21 ARG HD1 111 0.06 1.008 | |
| 380 331 opls_140 21 ARG HD2 111 0.06 1.008 | |
| 381 332 opls_303 21 ARG NE 112 -0.7 14.0067 | |
| 382 333 opls_304 21 ARG HE 112 0.44 1.008 | |
| 383 334 opls_302 21 ARG CZ 112 0.64 12.011 | |
| 384 335 opls_300 21 ARG NH1 113 -0.8 14.0067 | |
| 385 336 opls_301 21 ARG HH11 113 0.46 1.008 | |
| 386 337 opls_301 21 ARG HH12 113 0.46 1.008 | |
| 387 338 opls_300 21 ARG NH2 114 -0.8 14.0067 | |
| 388 339 opls_301 21 ARG HH21 114 0.46 1.008 | |
| 389 340 opls_301 21 ARG HH22 114 0.46 1.008 | |
| 390 341 opls_235 21 ARG C 115 0.5 12.011 | |
| 391 342 opls_236 21 ARG O 115 -0.5 15.9994 ; qtot 4 | |
| 392 ; residue 22 GLY rtp GLY q 0.0 | |
| 393 343 opls_238 22 GLY N 116 -0.5 14.0067 | |
| 394 344 opls_241 22 GLY H 116 0.3 1.008 | |
| 395 345 opls_223B 22 GLY CA 116 0.08 12.011 | |
| 396 346 opls_140 22 GLY HA1 116 0.06 1.008 | |
| 397 347 opls_140 22 GLY HA2 116 0.06 1.008 | |
| 398 348 opls_235 22 GLY C 117 0.5 12.011 | |
| 399 349 opls_236 22 GLY O 117 -0.5 15.9994 ; qtot 4 | |
| 400 ; residue 23 TYR rtp TYR q 0.0 | |
| 401 350 opls_238 23 TYR N 118 -0.5 14.0067 | |
| 402 351 opls_241 23 TYR H 118 0.3 1.008 | |
| 403 352 opls_224B 23 TYR CA 118 0.14 12.011 | |
| 404 353 opls_140 23 TYR HA 118 0.06 1.008 | |
| 405 354 opls_149 23 TYR CB 119 -0.005 12.011 | |
| 406 355 opls_140 23 TYR HB1 119 0.06 1.008 | |
| 407 356 opls_140 23 TYR HB2 119 0.06 1.008 | |
| 408 357 opls_145 23 TYR CG 119 -0.115 12.011 | |
| 409 358 opls_145 23 TYR CD1 120 -0.115 12.011 | |
| 410 359 opls_146 23 TYR HD1 120 0.115 1.008 | |
| 411 360 opls_145 23 TYR CD2 121 -0.115 12.011 | |
| 412 361 opls_146 23 TYR HD2 121 0.115 1.008 | |
| 413 362 opls_145 23 TYR CE1 122 -0.115 12.011 | |
| 414 363 opls_146 23 TYR HE1 122 0.115 1.008 | |
| 415 364 opls_145 23 TYR CE2 123 -0.115 12.011 | |
| 416 365 opls_146 23 TYR HE2 123 0.115 1.008 | |
| 417 366 opls_166 23 TYR CZ 124 0.15 12.011 | |
| 418 367 opls_167 23 TYR OH 124 -0.585 15.9994 | |
| 419 368 opls_168 23 TYR HH 124 0.435 1.008 | |
| 420 369 opls_235 23 TYR C 125 0.5 12.011 | |
| 421 370 opls_236 23 TYR O 125 -0.5 15.9994 ; qtot 4 | |
| 422 ; residue 24 SER rtp SER q 0.0 | |
| 423 371 opls_238 24 SER N 126 -0.5 14.0067 | |
| 424 372 opls_241 24 SER H 126 0.3 1.008 | |
| 425 373 opls_224B 24 SER CA 126 0.14 12.011 | |
| 426 374 opls_140 24 SER HA 126 0.06 1.008 | |
| 427 375 opls_157 24 SER CB 127 0.145 12.011 | |
| 428 376 opls_140 24 SER HB1 127 0.06 1.008 | |
| 429 377 opls_140 24 SER HB2 127 0.06 1.008 | |
| 430 378 opls_154 24 SER OG 128 -0.683 15.9994 | |
| 431 379 opls_155 24 SER HG 128 0.418 1.008 | |
| 432 380 opls_235 24 SER C 129 0.5 12.011 | |
| 433 381 opls_236 24 SER O 129 -0.5 15.9994 ; qtot 4 | |
| 434 ; residue 25 LEU rtp LEU q 0.0 | |
| 435 382 opls_238 25 LEU N 130 -0.5 14.0067 | |
| 436 383 opls_241 25 LEU H 130 0.3 1.008 | |
| 437 384 opls_224B 25 LEU CA 130 0.14 12.011 | |
| 438 385 opls_140 25 LEU HA 130 0.06 1.008 | |
| 439 386 opls_136 25 LEU CB 131 -0.12 12.011 | |
| 440 387 opls_140 25 LEU HB1 131 0.06 1.008 | |
| 441 388 opls_140 25 LEU HB2 131 0.06 1.008 | |
| 442 389 opls_137 25 LEU CG 132 -0.06 12.011 | |
| 443 390 opls_140 25 LEU HG 132 0.06 1.008 | |
| 444 391 opls_135 25 LEU CD1 133 -0.18 12.011 | |
| 445 392 opls_140 25 LEU HD11 133 0.06 1.008 | |
| 446 393 opls_140 25 LEU HD12 133 0.06 1.008 | |
| 447 394 opls_140 25 LEU HD13 133 0.06 1.008 | |
| 448 395 opls_135 25 LEU CD2 134 -0.18 12.011 | |
| 449 396 opls_140 25 LEU HD21 134 0.06 1.008 | |
| 450 397 opls_140 25 LEU HD22 134 0.06 1.008 | |
| 451 398 opls_140 25 LEU HD23 134 0.06 1.008 | |
| 452 399 opls_235 25 LEU C 135 0.5 12.011 | |
| 453 400 opls_236 25 LEU O 135 -0.5 15.9994 ; qtot 4 | |
| 454 ; residue 26 GLY rtp GLY q 0.0 | |
| 455 401 opls_238 26 GLY N 136 -0.5 14.0067 | |
| 456 402 opls_241 26 GLY H 136 0.3 1.008 | |
| 457 403 opls_223B 26 GLY CA 136 0.08 12.011 | |
| 458 404 opls_140 26 GLY HA1 136 0.06 1.008 | |
| 459 405 opls_140 26 GLY HA2 136 0.06 1.008 | |
| 460 406 opls_235 26 GLY C 137 0.5 12.011 | |
| 461 407 opls_236 26 GLY O 137 -0.5 15.9994 ; qtot 4 | |
| 462 ; residue 27 ASN rtp ASN q 0.0 | |
| 463 408 opls_238 27 ASN N 138 -0.5 14.0067 | |
| 464 409 opls_241 27 ASN H 138 0.3 1.008 | |
| 465 410 opls_224B 27 ASN CA 139 0.14 12.011 | |
| 466 411 opls_140 27 ASN HA 139 0.06 1.008 | |
| 467 412 opls_136 27 ASN CB 140 -0.12 12.011 | |
| 468 413 opls_140 27 ASN HB1 140 0.06 1.008 | |
| 469 414 opls_140 27 ASN HB2 140 0.06 1.008 | |
| 470 415 opls_235 27 ASN CG 141 0.5 12.011 | |
| 471 416 opls_236 27 ASN OD1 141 -0.5 15.9994 | |
| 472 417 opls_237 27 ASN ND2 142 -0.76 14.0067 | |
| 473 418 opls_240 27 ASN HD21 142 0.38 1.008 | |
| 474 419 opls_240 27 ASN HD22 142 0.38 1.008 | |
| 475 420 opls_235 27 ASN C 143 0.5 12.011 | |
| 476 421 opls_236 27 ASN O 143 -0.5 15.9994 ; qtot 4 | |
| 477 ; residue 28 TRP rtp TRP q 0.0 | |
| 478 422 opls_238 28 TRP N 144 -0.5 14.0067 | |
| 479 423 opls_241 28 TRP H 144 0.3 1.008 | |
| 480 424 opls_224B 28 TRP CA 144 0.14 12.011 | |
| 481 425 opls_140 28 TRP HA 144 0.06 1.008 | |
| 482 426 opls_136 28 TRP CB 145 -0.12 12.011 | |
| 483 427 opls_140 28 TRP HB1 145 0.06 1.008 | |
| 484 428 opls_140 28 TRP HB2 145 0.06 1.008 | |
| 485 429 opls_500 28 TRP CG 146 0.075 12.011 | |
| 486 430 opls_514 28 TRP CD1 147 -0.115 12.011 | |
| 487 431 opls_146 28 TRP HD1 147 0.115 1.008 | |
| 488 432 opls_501 28 TRP CD2 148 -0.055 12.011 | |
| 489 433 opls_503 28 TRP NE1 149 -0.57 14.0067 | |
| 490 434 opls_504 28 TRP HE1 149 0.42 1.008 | |
| 491 435 opls_502 28 TRP CE2 149 0.13 12.011 | |
| 492 436 opls_145 28 TRP CE3 150 -0.115 12.011 | |
| 493 437 opls_146 28 TRP HE3 150 0.115 1.008 | |
| 494 438 opls_145 28 TRP CZ2 151 -0.115 12.011 | |
| 495 439 opls_146 28 TRP HZ2 151 0.115 1.008 | |
| 496 440 opls_145 28 TRP CZ3 152 -0.115 12.011 | |
| 497 441 opls_146 28 TRP HZ3 152 0.115 1.008 | |
| 498 442 opls_145 28 TRP CH2 153 -0.115 12.011 | |
| 499 443 opls_146 28 TRP HH2 153 0.115 1.008 | |
| 500 444 opls_235 28 TRP C 154 0.5 12.011 | |
| 501 445 opls_236 28 TRP O 154 -0.5 15.9994 ; qtot 4 | |
| 502 ; residue 29 VAL rtp VAL q 0.0 | |
| 503 446 opls_238 29 VAL N 155 -0.5 14.0067 | |
| 504 447 opls_241 29 VAL H 155 0.3 1.008 | |
| 505 448 opls_224B 29 VAL CA 155 0.14 12.011 | |
| 506 449 opls_140 29 VAL HA 155 0.06 1.008 | |
| 507 450 opls_137 29 VAL CB 156 -0.06 12.011 | |
| 508 451 opls_140 29 VAL HB 156 0.06 1.008 | |
| 509 452 opls_135 29 VAL CG1 157 -0.18 12.011 | |
| 510 453 opls_140 29 VAL HG11 157 0.06 1.008 | |
| 511 454 opls_140 29 VAL HG12 157 0.06 1.008 | |
| 512 455 opls_140 29 VAL HG13 157 0.06 1.008 | |
| 513 456 opls_135 29 VAL CG2 158 -0.18 12.011 | |
| 514 457 opls_140 29 VAL HG21 158 0.06 1.008 | |
| 515 458 opls_140 29 VAL HG22 158 0.06 1.008 | |
| 516 459 opls_140 29 VAL HG23 158 0.06 1.008 | |
| 517 460 opls_235 29 VAL C 159 0.5 12.011 | |
| 518 461 opls_236 29 VAL O 159 -0.5 15.9994 ; qtot 4 | |
| 519 ; residue 30 CYS rtp CYS2 q 0.0 | |
| 520 462 opls_238 30 CYS N 160 -0.5 14.0067 | |
| 521 463 opls_241 30 CYS H 160 0.3 1.008 | |
| 522 464 opls_224B 30 CYS CA 160 0.14 12.011 | |
| 523 465 opls_140 30 CYS HA 160 0.06 1.008 | |
| 524 466 opls_214 30 CYS CB 161 0.0975 12.011 | |
| 525 467 opls_140 30 CYS HB1 161 0.06 1.008 | |
| 526 468 opls_140 30 CYS HB2 161 0.06 1.008 | |
| 527 469 opls_203 30 CYS SG 161 -0.2175 32.06 | |
| 528 470 opls_235 30 CYS C 162 0.5 12.011 | |
| 529 471 opls_236 30 CYS O 162 -0.5 15.9994 ; qtot 4 | |
| 530 ; residue 31 ALA rtp ALA q 0.0 | |
| 531 472 opls_238 31 ALA N 163 -0.5 14.0067 | |
| 532 473 opls_241 31 ALA H 163 0.3 1.008 | |
| 533 474 opls_224B 31 ALA CA 163 0.14 12.011 | |
| 534 475 opls_140 31 ALA HA 163 0.06 1.008 | |
| 535 476 opls_135 31 ALA CB 164 -0.18 12.011 | |
| 536 477 opls_140 31 ALA HB1 164 0.06 1.008 | |
| 537 478 opls_140 31 ALA HB2 164 0.06 1.008 | |
| 538 479 opls_140 31 ALA HB3 164 0.06 1.008 | |
| 539 480 opls_235 31 ALA C 165 0.5 12.011 | |
| 540 481 opls_236 31 ALA O 165 -0.5 15.9994 ; qtot 4 | |
| 541 ; residue 32 ALA rtp ALA q 0.0 | |
| 542 482 opls_238 32 ALA N 166 -0.5 14.0067 | |
| 543 483 opls_241 32 ALA H 166 0.3 1.008 | |
| 544 484 opls_224B 32 ALA CA 166 0.14 12.011 | |
| 545 485 opls_140 32 ALA HA 166 0.06 1.008 | |
| 546 486 opls_135 32 ALA CB 167 -0.18 12.011 | |
| 547 487 opls_140 32 ALA HB1 167 0.06 1.008 | |
| 548 488 opls_140 32 ALA HB2 167 0.06 1.008 | |
| 549 489 opls_140 32 ALA HB3 167 0.06 1.008 | |
| 550 490 opls_235 32 ALA C 168 0.5 12.011 | |
| 551 491 opls_236 32 ALA O 168 -0.5 15.9994 ; qtot 4 | |
| 552 ; residue 33 LYS rtp LYSH q +1.0 | |
| 553 492 opls_238 33 LYS N 169 -0.5 14.0067 | |
| 554 493 opls_241 33 LYS H 169 0.3 1.008 | |
| 555 494 opls_224B 33 LYS CA 169 0.14 12.011 | |
| 556 495 opls_140 33 LYS HA 169 0.06 1.008 | |
| 557 496 opls_136 33 LYS CB 170 -0.12 12.011 | |
| 558 497 opls_140 33 LYS HB1 170 0.06 1.008 | |
| 559 498 opls_140 33 LYS HB2 170 0.06 1.008 | |
| 560 499 opls_136 33 LYS CG 171 -0.12 12.011 | |
| 561 500 opls_140 33 LYS HG1 171 0.06 1.008 | |
| 562 501 opls_140 33 LYS HG2 171 0.06 1.008 | |
| 563 502 opls_136 33 LYS CD 172 -0.12 12.011 | |
| 564 503 opls_140 33 LYS HD1 172 0.06 1.008 | |
| 565 504 opls_140 33 LYS HD2 172 0.06 1.008 | |
| 566 505 opls_292 33 LYS CE 173 0.19 12.011 | |
| 567 506 opls_140 33 LYS HE1 173 0.06 1.008 | |
| 568 507 opls_140 33 LYS HE2 173 0.06 1.008 | |
| 569 508 opls_287 33 LYS NZ 174 -0.3 14.0067 | |
| 570 509 opls_290 33 LYS HZ1 174 0.33 1.008 | |
| 571 510 opls_290 33 LYS HZ2 174 0.33 1.008 | |
| 572 511 opls_290 33 LYS HZ3 174 0.33 1.008 | |
| 573 512 opls_235 33 LYS C 175 0.5 12.011 | |
| 574 513 opls_236 33 LYS O 175 -0.5 15.9994 ; qtot 5 | |
| 575 ; residue 34 PHE rtp PHE q 0.0 | |
| 576 514 opls_238 34 PHE N 176 -0.5 14.0067 | |
| 577 515 opls_241 34 PHE H 176 0.3 1.008 | |
| 578 516 opls_224B 34 PHE CA 176 0.14 12.011 | |
| 579 517 opls_140 34 PHE HA 176 0.06 1.008 | |
| 580 518 opls_149 34 PHE CB 177 -0.005 12.011 | |
| 581 519 opls_140 34 PHE HB1 177 0.06 1.008 | |
| 582 520 opls_140 34 PHE HB2 177 0.06 1.008 | |
| 583 521 opls_145 34 PHE CG 177 -0.115 12.011 | |
| 584 522 opls_145 34 PHE CD1 178 -0.115 12.011 | |
| 585 523 opls_146 34 PHE HD1 178 0.115 1.008 | |
| 586 524 opls_145 34 PHE CD2 179 -0.115 12.011 | |
| 587 525 opls_146 34 PHE HD2 179 0.115 1.008 | |
| 588 526 opls_145 34 PHE CE1 180 -0.115 12.011 | |
| 589 527 opls_146 34 PHE HE1 180 0.115 1.008 | |
| 590 528 opls_145 34 PHE CE2 181 -0.115 12.011 | |
| 591 529 opls_146 34 PHE HE2 181 0.115 1.008 | |
| 592 530 opls_145 34 PHE CZ 182 -0.115 12.011 | |
| 593 531 opls_146 34 PHE HZ 182 0.115 1.008 | |
| 594 532 opls_235 34 PHE C 183 0.5 12.011 | |
| 595 533 opls_236 34 PHE O 183 -0.5 15.9994 ; qtot 5 | |
| 596 ; residue 35 GLU rtp GLU q -1.0 | |
| 597 534 opls_238 35 GLU N 184 -0.5 14.0067 | |
| 598 535 opls_241 35 GLU H 184 0.3 1.008 | |
| 599 536 opls_224B 35 GLU CA 184 0.14 12.011 | |
| 600 537 opls_140 35 GLU HA 184 0.06 1.008 | |
| 601 538 opls_136 35 GLU CB 185 -0.12 12.011 | |
| 602 539 opls_140 35 GLU HB1 185 0.06 1.008 | |
| 603 540 opls_140 35 GLU HB2 185 0.06 1.008 | |
| 604 541 opls_274 35 GLU CG 186 -0.22 12.011 | |
| 605 542 opls_140 35 GLU HG1 186 0.06 1.008 | |
| 606 543 opls_140 35 GLU HG2 186 0.06 1.008 | |
| 607 544 opls_271 35 GLU CD 187 0.7 12.011 | |
| 608 545 opls_272 35 GLU OE1 187 -0.8 15.9994 | |
| 609 546 opls_272 35 GLU OE2 187 -0.8 15.9994 | |
| 610 547 opls_235 35 GLU C 188 0.5 12.011 | |
| 611 548 opls_236 35 GLU O 188 -0.5 15.9994 ; qtot 4 | |
| 612 ; residue 36 SER rtp SER q 0.0 | |
| 613 549 opls_238 36 SER N 189 -0.5 14.0067 | |
| 614 550 opls_241 36 SER H 189 0.3 1.008 | |
| 615 551 opls_224B 36 SER CA 189 0.14 12.011 | |
| 616 552 opls_140 36 SER HA 189 0.06 1.008 | |
| 617 553 opls_157 36 SER CB 190 0.145 12.011 | |
| 618 554 opls_140 36 SER HB1 190 0.06 1.008 | |
| 619 555 opls_140 36 SER HB2 190 0.06 1.008 | |
| 620 556 opls_154 36 SER OG 191 -0.683 15.9994 | |
| 621 557 opls_155 36 SER HG 191 0.418 1.008 | |
| 622 558 opls_235 36 SER C 192 0.5 12.011 | |
| 623 559 opls_236 36 SER O 192 -0.5 15.9994 ; qtot 4 | |
| 624 ; residue 37 ASN rtp ASN q 0.0 | |
| 625 560 opls_238 37 ASN N 193 -0.5 14.0067 | |
| 626 561 opls_241 37 ASN H 193 0.3 1.008 | |
| 627 562 opls_224B 37 ASN CA 194 0.14 12.011 | |
| 628 563 opls_140 37 ASN HA 194 0.06 1.008 | |
| 629 564 opls_136 37 ASN CB 195 -0.12 12.011 | |
| 630 565 opls_140 37 ASN HB1 195 0.06 1.008 | |
| 631 566 opls_140 37 ASN HB2 195 0.06 1.008 | |
| 632 567 opls_235 37 ASN CG 196 0.5 12.011 | |
| 633 568 opls_236 37 ASN OD1 196 -0.5 15.9994 | |
| 634 569 opls_237 37 ASN ND2 197 -0.76 14.0067 | |
| 635 570 opls_240 37 ASN HD21 197 0.38 1.008 | |
| 636 571 opls_240 37 ASN HD22 197 0.38 1.008 | |
| 637 572 opls_235 37 ASN C 198 0.5 12.011 | |
| 638 573 opls_236 37 ASN O 198 -0.5 15.9994 ; qtot 4 | |
| 639 ; residue 38 PHE rtp PHE q 0.0 | |
| 640 574 opls_238 38 PHE N 199 -0.5 14.0067 | |
| 641 575 opls_241 38 PHE H 199 0.3 1.008 | |
| 642 576 opls_224B 38 PHE CA 199 0.14 12.011 | |
| 643 577 opls_140 38 PHE HA 199 0.06 1.008 | |
| 644 578 opls_149 38 PHE CB 200 -0.005 12.011 | |
| 645 579 opls_140 38 PHE HB1 200 0.06 1.008 | |
| 646 580 opls_140 38 PHE HB2 200 0.06 1.008 | |
| 647 581 opls_145 38 PHE CG 200 -0.115 12.011 | |
| 648 582 opls_145 38 PHE CD1 201 -0.115 12.011 | |
| 649 583 opls_146 38 PHE HD1 201 0.115 1.008 | |
| 650 584 opls_145 38 PHE CD2 202 -0.115 12.011 | |
| 651 585 opls_146 38 PHE HD2 202 0.115 1.008 | |
| 652 586 opls_145 38 PHE CE1 203 -0.115 12.011 | |
| 653 587 opls_146 38 PHE HE1 203 0.115 1.008 | |
| 654 588 opls_145 38 PHE CE2 204 -0.115 12.011 | |
| 655 589 opls_146 38 PHE HE2 204 0.115 1.008 | |
| 656 590 opls_145 38 PHE CZ 205 -0.115 12.011 | |
| 657 591 opls_146 38 PHE HZ 205 0.115 1.008 | |
| 658 592 opls_235 38 PHE C 206 0.5 12.011 | |
| 659 593 opls_236 38 PHE O 206 -0.5 15.9994 ; qtot 4 | |
| 660 ; residue 39 ASN rtp ASN q 0.0 | |
| 661 594 opls_238 39 ASN N 207 -0.5 14.0067 | |
| 662 595 opls_241 39 ASN H 207 0.3 1.008 | |
| 663 596 opls_224B 39 ASN CA 208 0.14 12.011 | |
| 664 597 opls_140 39 ASN HA 208 0.06 1.008 | |
| 665 598 opls_136 39 ASN CB 209 -0.12 12.011 | |
| 666 599 opls_140 39 ASN HB1 209 0.06 1.008 | |
| 667 600 opls_140 39 ASN HB2 209 0.06 1.008 | |
| 668 601 opls_235 39 ASN CG 210 0.5 12.011 | |
| 669 602 opls_236 39 ASN OD1 210 -0.5 15.9994 | |
| 670 603 opls_237 39 ASN ND2 211 -0.76 14.0067 | |
| 671 604 opls_240 39 ASN HD21 211 0.38 1.008 | |
| 672 605 opls_240 39 ASN HD22 211 0.38 1.008 | |
| 673 606 opls_235 39 ASN C 212 0.5 12.011 | |
| 674 607 opls_236 39 ASN O 212 -0.5 15.9994 ; qtot 4 | |
| 675 ; residue 40 THR rtp THR q 0.0 | |
| 676 608 opls_238 40 THR N 213 -0.5 14.0067 | |
| 677 609 opls_241 40 THR H 213 0.3 1.008 | |
| 678 610 opls_224B 40 THR CA 213 0.14 12.011 | |
| 679 611 opls_140 40 THR HA 213 0.06 1.008 | |
| 680 612 opls_158 40 THR CB 214 0.205 12.011 | |
| 681 613 opls_140 40 THR HB 214 0.06 1.008 | |
| 682 614 opls_154 40 THR OG1 214 -0.683 15.9994 | |
| 683 615 opls_155 40 THR HG1 214 0.418 1.008 | |
| 684 616 opls_135 40 THR CG2 215 -0.18 12.011 | |
| 685 617 opls_140 40 THR HG21 215 0.06 1.008 | |
| 686 618 opls_140 40 THR HG22 215 0.06 1.008 | |
| 687 619 opls_140 40 THR HG23 215 0.06 1.008 | |
| 688 620 opls_235 40 THR C 216 0.5 12.011 | |
| 689 621 opls_236 40 THR O 216 -0.5 15.9994 ; qtot 4 | |
| 690 ; residue 41 GLN rtp GLN q 0.0 | |
| 691 622 opls_238 41 GLN N 217 -0.5 14.0067 | |
| 692 623 opls_241 41 GLN H 217 0.3 1.008 | |
| 693 624 opls_224B 41 GLN CA 218 0.14 12.011 | |
| 694 625 opls_140 41 GLN HA 218 0.06 1.008 | |
| 695 626 opls_136 41 GLN CB 219 -0.12 12.011 | |
| 696 627 opls_140 41 GLN HB1 219 0.06 1.008 | |
| 697 628 opls_140 41 GLN HB2 219 0.06 1.008 | |
| 698 629 opls_136 41 GLN CG 220 -0.12 12.011 | |
| 699 630 opls_140 41 GLN HG1 220 0.06 1.008 | |
| 700 631 opls_140 41 GLN HG2 220 0.06 1.008 | |
| 701 632 opls_235 41 GLN CD 221 0.5 12.011 | |
| 702 633 opls_236 41 GLN OE1 221 -0.5 15.9994 | |
| 703 634 opls_237 41 GLN NE2 222 -0.76 14.0067 | |
| 704 635 opls_240 41 GLN HE21 222 0.38 1.008 | |
| 705 636 opls_240 41 GLN HE22 222 0.38 1.008 | |
| 706 637 opls_235 41 GLN C 223 0.5 12.011 | |
| 707 638 opls_236 41 GLN O 223 -0.5 15.9994 ; qtot 4 | |
| 708 ; residue 42 ALA rtp ALA q 0.0 | |
| 709 639 opls_238 42 ALA N 224 -0.5 14.0067 | |
| 710 640 opls_241 42 ALA H 224 0.3 1.008 | |
| 711 641 opls_224B 42 ALA CA 224 0.14 12.011 | |
| 712 642 opls_140 42 ALA HA 224 0.06 1.008 | |
| 713 643 opls_135 42 ALA CB 225 -0.18 12.011 | |
| 714 644 opls_140 42 ALA HB1 225 0.06 1.008 | |
| 715 645 opls_140 42 ALA HB2 225 0.06 1.008 | |
| 716 646 opls_140 42 ALA HB3 225 0.06 1.008 | |
| 717 647 opls_235 42 ALA C 226 0.5 12.011 | |
| 718 648 opls_236 42 ALA O 226 -0.5 15.9994 ; qtot 4 | |
| 719 ; residue 43 THR rtp THR q 0.0 | |
| 720 649 opls_238 43 THR N 227 -0.5 14.0067 | |
| 721 650 opls_241 43 THR H 227 0.3 1.008 | |
| 722 651 opls_224B 43 THR CA 227 0.14 12.011 | |
| 723 652 opls_140 43 THR HA 227 0.06 1.008 | |
| 724 653 opls_158 43 THR CB 228 0.205 12.011 | |
| 725 654 opls_140 43 THR HB 228 0.06 1.008 | |
| 726 655 opls_154 43 THR OG1 228 -0.683 15.9994 | |
| 727 656 opls_155 43 THR HG1 228 0.418 1.008 | |
| 728 657 opls_135 43 THR CG2 229 -0.18 12.011 | |
| 729 658 opls_140 43 THR HG21 229 0.06 1.008 | |
| 730 659 opls_140 43 THR HG22 229 0.06 1.008 | |
| 731 660 opls_140 43 THR HG23 229 0.06 1.008 | |
| 732 661 opls_235 43 THR C 230 0.5 12.011 | |
| 733 662 opls_236 43 THR O 230 -0.5 15.9994 ; qtot 4 | |
| 734 ; residue 44 ASN rtp ASN q 0.0 | |
| 735 663 opls_238 44 ASN N 231 -0.5 14.0067 | |
| 736 664 opls_241 44 ASN H 231 0.3 1.008 | |
| 737 665 opls_224B 44 ASN CA 232 0.14 12.011 | |
| 738 666 opls_140 44 ASN HA 232 0.06 1.008 | |
| 739 667 opls_136 44 ASN CB 233 -0.12 12.011 | |
| 740 668 opls_140 44 ASN HB1 233 0.06 1.008 | |
| 741 669 opls_140 44 ASN HB2 233 0.06 1.008 | |
| 742 670 opls_235 44 ASN CG 234 0.5 12.011 | |
| 743 671 opls_236 44 ASN OD1 234 -0.5 15.9994 | |
| 744 672 opls_237 44 ASN ND2 235 -0.76 14.0067 | |
| 745 673 opls_240 44 ASN HD21 235 0.38 1.008 | |
| 746 674 opls_240 44 ASN HD22 235 0.38 1.008 | |
| 747 675 opls_235 44 ASN C 236 0.5 12.011 | |
| 748 676 opls_236 44 ASN O 236 -0.5 15.9994 ; qtot 4 | |
| 749 ; residue 45 ARG rtp ARG q +1.0 | |
| 750 677 opls_238 45 ARG N 237 -0.5 14.0067 | |
| 751 678 opls_241 45 ARG H 237 0.3 1.008 | |
| 752 679 opls_224B 45 ARG CA 237 0.14 12.011 | |
| 753 680 opls_140 45 ARG HA 237 0.06 1.008 | |
| 754 681 opls_136 45 ARG CB 238 -0.12 12.011 | |
| 755 682 opls_140 45 ARG HB1 238 0.06 1.008 | |
| 756 683 opls_140 45 ARG HB2 238 0.06 1.008 | |
| 757 684 opls_308 45 ARG CG 239 -0.05 12.011 | |
| 758 685 opls_140 45 ARG HG1 239 0.06 1.008 | |
| 759 686 opls_140 45 ARG HG2 239 0.06 1.008 | |
| 760 687 opls_307 45 ARG CD 240 0.19 12.011 | |
| 761 688 opls_140 45 ARG HD1 240 0.06 1.008 | |
| 762 689 opls_140 45 ARG HD2 240 0.06 1.008 | |
| 763 690 opls_303 45 ARG NE 241 -0.7 14.0067 | |
| 764 691 opls_304 45 ARG HE 241 0.44 1.008 | |
| 765 692 opls_302 45 ARG CZ 241 0.64 12.011 | |
| 766 693 opls_300 45 ARG NH1 242 -0.8 14.0067 | |
| 767 694 opls_301 45 ARG HH11 242 0.46 1.008 | |
| 768 695 opls_301 45 ARG HH12 242 0.46 1.008 | |
| 769 696 opls_300 45 ARG NH2 243 -0.8 14.0067 | |
| 770 697 opls_301 45 ARG HH21 243 0.46 1.008 | |
| 771 698 opls_301 45 ARG HH22 243 0.46 1.008 | |
| 772 699 opls_235 45 ARG C 244 0.5 12.011 | |
| 773 700 opls_236 45 ARG O 244 -0.5 15.9994 ; qtot 5 | |
| 774 ; residue 46 ASN rtp ASN q 0.0 | |
| 775 701 opls_238 46 ASN N 245 -0.5 14.0067 | |
| 776 702 opls_241 46 ASN H 245 0.3 1.008 | |
| 777 703 opls_224B 46 ASN CA 246 0.14 12.011 | |
| 778 704 opls_140 46 ASN HA 246 0.06 1.008 | |
| 779 705 opls_136 46 ASN CB 247 -0.12 12.011 | |
| 780 706 opls_140 46 ASN HB1 247 0.06 1.008 | |
| 781 707 opls_140 46 ASN HB2 247 0.06 1.008 | |
| 782 708 opls_235 46 ASN CG 248 0.5 12.011 | |
| 783 709 opls_236 46 ASN OD1 248 -0.5 15.9994 | |
| 784 710 opls_237 46 ASN ND2 249 -0.76 14.0067 | |
| 785 711 opls_240 46 ASN HD21 249 0.38 1.008 | |
| 786 712 opls_240 46 ASN HD22 249 0.38 1.008 | |
| 787 713 opls_235 46 ASN C 250 0.5 12.011 | |
| 788 714 opls_236 46 ASN O 250 -0.5 15.9994 ; qtot 5 | |
| 789 ; residue 47 THR rtp THR q 0.0 | |
| 790 715 opls_238 47 THR N 251 -0.5 14.0067 | |
| 791 716 opls_241 47 THR H 251 0.3 1.008 | |
| 792 717 opls_224B 47 THR CA 251 0.14 12.011 | |
| 793 718 opls_140 47 THR HA 251 0.06 1.008 | |
| 794 719 opls_158 47 THR CB 252 0.205 12.011 | |
| 795 720 opls_140 47 THR HB 252 0.06 1.008 | |
| 796 721 opls_154 47 THR OG1 252 -0.683 15.9994 | |
| 797 722 opls_155 47 THR HG1 252 0.418 1.008 | |
| 798 723 opls_135 47 THR CG2 253 -0.18 12.011 | |
| 799 724 opls_140 47 THR HG21 253 0.06 1.008 | |
| 800 725 opls_140 47 THR HG22 253 0.06 1.008 | |
| 801 726 opls_140 47 THR HG23 253 0.06 1.008 | |
| 802 727 opls_235 47 THR C 254 0.5 12.011 | |
| 803 728 opls_236 47 THR O 254 -0.5 15.9994 ; qtot 5 | |
| 804 ; residue 48 ASP rtp ASP q -1.0 | |
| 805 729 opls_238 48 ASP N 255 -0.5 14.0067 | |
| 806 730 opls_241 48 ASP H 255 0.3 1.008 | |
| 807 731 opls_224B 48 ASP CA 255 0.14 12.011 | |
| 808 732 opls_140 48 ASP HA 255 0.06 1.008 | |
| 809 733 opls_274 48 ASP CB 256 -0.22 12.011 | |
| 810 734 opls_140 48 ASP HB1 256 0.06 1.008 | |
| 811 735 opls_140 48 ASP HB2 256 0.06 1.008 | |
| 812 736 opls_271 48 ASP CG 257 0.7 12.011 | |
| 813 737 opls_272 48 ASP OD1 257 -0.8 15.9994 | |
| 814 738 opls_272 48 ASP OD2 257 -0.8 15.9994 | |
| 815 739 opls_235 48 ASP C 258 0.5 12.011 | |
| 816 740 opls_236 48 ASP O 258 -0.5 15.9994 ; qtot 4 | |
| 817 ; residue 49 GLY rtp GLY q 0.0 | |
| 818 741 opls_238 49 GLY N 259 -0.5 14.0067 | |
| 819 742 opls_241 49 GLY H 259 0.3 1.008 | |
| 820 743 opls_223B 49 GLY CA 259 0.08 12.011 | |
| 821 744 opls_140 49 GLY HA1 259 0.06 1.008 | |
| 822 745 opls_140 49 GLY HA2 259 0.06 1.008 | |
| 823 746 opls_235 49 GLY C 260 0.5 12.011 | |
| 824 747 opls_236 49 GLY O 260 -0.5 15.9994 ; qtot 4 | |
| 825 ; residue 50 SER rtp SER q 0.0 | |
| 826 748 opls_238 50 SER N 261 -0.5 14.0067 | |
| 827 749 opls_241 50 SER H 261 0.3 1.008 | |
| 828 750 opls_224B 50 SER CA 261 0.14 12.011 | |
| 829 751 opls_140 50 SER HA 261 0.06 1.008 | |
| 830 752 opls_157 50 SER CB 262 0.145 12.011 | |
| 831 753 opls_140 50 SER HB1 262 0.06 1.008 | |
| 832 754 opls_140 50 SER HB2 262 0.06 1.008 | |
| 833 755 opls_154 50 SER OG 263 -0.683 15.9994 | |
| 834 756 opls_155 50 SER HG 263 0.418 1.008 | |
| 835 757 opls_235 50 SER C 264 0.5 12.011 | |
| 836 758 opls_236 50 SER O 264 -0.5 15.9994 ; qtot 4 | |
| 837 ; residue 51 THR rtp THR q 0.0 | |
| 838 759 opls_238 51 THR N 265 -0.5 14.0067 | |
| 839 760 opls_241 51 THR H 265 0.3 1.008 | |
| 840 761 opls_224B 51 THR CA 265 0.14 12.011 | |
| 841 762 opls_140 51 THR HA 265 0.06 1.008 | |
| 842 763 opls_158 51 THR CB 266 0.205 12.011 | |
| 843 764 opls_140 51 THR HB 266 0.06 1.008 | |
| 844 765 opls_154 51 THR OG1 266 -0.683 15.9994 | |
| 845 766 opls_155 51 THR HG1 266 0.418 1.008 | |
| 846 767 opls_135 51 THR CG2 267 -0.18 12.011 | |
| 847 768 opls_140 51 THR HG21 267 0.06 1.008 | |
| 848 769 opls_140 51 THR HG22 267 0.06 1.008 | |
| 849 770 opls_140 51 THR HG23 267 0.06 1.008 | |
| 850 771 opls_235 51 THR C 268 0.5 12.011 | |
| 851 772 opls_236 51 THR O 268 -0.5 15.9994 ; qtot 4 | |
| 852 ; residue 52 ASP rtp ASP q -1.0 | |
| 853 773 opls_238 52 ASP N 269 -0.5 14.0067 | |
| 854 774 opls_241 52 ASP H 269 0.3 1.008 | |
| 855 775 opls_224B 52 ASP CA 269 0.14 12.011 | |
| 856 776 opls_140 52 ASP HA 269 0.06 1.008 | |
| 857 777 opls_274 52 ASP CB 270 -0.22 12.011 | |
| 858 778 opls_140 52 ASP HB1 270 0.06 1.008 | |
| 859 779 opls_140 52 ASP HB2 270 0.06 1.008 | |
| 860 780 opls_271 52 ASP CG 271 0.7 12.011 | |
| 861 781 opls_272 52 ASP OD1 271 -0.8 15.9994 | |
| 862 782 opls_272 52 ASP OD2 271 -0.8 15.9994 | |
| 863 783 opls_235 52 ASP C 272 0.5 12.011 | |
| 864 784 opls_236 52 ASP O 272 -0.5 15.9994 ; qtot 3 | |
| 865 ; residue 53 TYR rtp TYR q 0.0 | |
| 866 785 opls_238 53 TYR N 273 -0.5 14.0067 | |
| 867 786 opls_241 53 TYR H 273 0.3 1.008 | |
| 868 787 opls_224B 53 TYR CA 273 0.14 12.011 | |
| 869 788 opls_140 53 TYR HA 273 0.06 1.008 | |
| 870 789 opls_149 53 TYR CB 274 -0.005 12.011 | |
| 871 790 opls_140 53 TYR HB1 274 0.06 1.008 | |
| 872 791 opls_140 53 TYR HB2 274 0.06 1.008 | |
| 873 792 opls_145 53 TYR CG 274 -0.115 12.011 | |
| 874 793 opls_145 53 TYR CD1 275 -0.115 12.011 | |
| 875 794 opls_146 53 TYR HD1 275 0.115 1.008 | |
| 876 795 opls_145 53 TYR CD2 276 -0.115 12.011 | |
| 877 796 opls_146 53 TYR HD2 276 0.115 1.008 | |
| 878 797 opls_145 53 TYR CE1 277 -0.115 12.011 | |
| 879 798 opls_146 53 TYR HE1 277 0.115 1.008 | |
| 880 799 opls_145 53 TYR CE2 278 -0.115 12.011 | |
| 881 800 opls_146 53 TYR HE2 278 0.115 1.008 | |
| 882 801 opls_166 53 TYR CZ 279 0.15 12.011 | |
| 883 802 opls_167 53 TYR OH 279 -0.585 15.9994 | |
| 884 803 opls_168 53 TYR HH 279 0.435 1.008 | |
| 885 804 opls_235 53 TYR C 280 0.5 12.011 | |
| 886 805 opls_236 53 TYR O 280 -0.5 15.9994 ; qtot 3 | |
| 887 ; residue 54 GLY rtp GLY q 0.0 | |
| 888 806 opls_238 54 GLY N 281 -0.5 14.0067 | |
| 889 807 opls_241 54 GLY H 281 0.3 1.008 | |
| 890 808 opls_223B 54 GLY CA 281 0.08 12.011 | |
| 891 809 opls_140 54 GLY HA1 281 0.06 1.008 | |
| 892 810 opls_140 54 GLY HA2 281 0.06 1.008 | |
| 893 811 opls_235 54 GLY C 282 0.5 12.011 | |
| 894 812 opls_236 54 GLY O 282 -0.5 15.9994 ; qtot 3 | |
| 895 ; residue 55 ILE rtp ILE q 0.0 | |
| 896 813 opls_238 55 ILE N 283 -0.5 14.0067 | |
| 897 814 opls_241 55 ILE H 283 0.3 1.008 | |
| 898 815 opls_224B 55 ILE CA 283 0.14 12.011 | |
| 899 816 opls_140 55 ILE HA 283 0.06 1.008 | |
| 900 817 opls_137 55 ILE CB 284 -0.06 12.011 | |
| 901 818 opls_140 55 ILE HB 284 0.06 1.008 | |
| 902 819 opls_136 55 ILE CG1 285 -0.12 12.011 | |
| 903 820 opls_140 55 ILE HG11 285 0.06 1.008 | |
| 904 821 opls_140 55 ILE HG12 285 0.06 1.008 | |
| 905 822 opls_135 55 ILE CG2 286 -0.18 12.011 | |
| 906 823 opls_140 55 ILE HG21 286 0.06 1.008 | |
| 907 824 opls_140 55 ILE HG22 286 0.06 1.008 | |
| 908 825 opls_140 55 ILE HG23 286 0.06 1.008 | |
| 909 826 opls_135 55 ILE CD 287 -0.18 12.011 | |
| 910 827 opls_140 55 ILE HD1 287 0.06 1.008 | |
| 911 828 opls_140 55 ILE HD2 287 0.06 1.008 | |
| 912 829 opls_140 55 ILE HD3 287 0.06 1.008 | |
| 913 830 opls_235 55 ILE C 288 0.5 12.011 | |
| 914 831 opls_236 55 ILE O 288 -0.5 15.9994 ; qtot 3 | |
| 915 ; residue 56 LEU rtp LEU q 0.0 | |
| 916 832 opls_238 56 LEU N 289 -0.5 14.0067 | |
| 917 833 opls_241 56 LEU H 289 0.3 1.008 | |
| 918 834 opls_224B 56 LEU CA 289 0.14 12.011 | |
| 919 835 opls_140 56 LEU HA 289 0.06 1.008 | |
| 920 836 opls_136 56 LEU CB 290 -0.12 12.011 | |
| 921 837 opls_140 56 LEU HB1 290 0.06 1.008 | |
| 922 838 opls_140 56 LEU HB2 290 0.06 1.008 | |
| 923 839 opls_137 56 LEU CG 291 -0.06 12.011 | |
| 924 840 opls_140 56 LEU HG 291 0.06 1.008 | |
| 925 841 opls_135 56 LEU CD1 292 -0.18 12.011 | |
| 926 842 opls_140 56 LEU HD11 292 0.06 1.008 | |
| 927 843 opls_140 56 LEU HD12 292 0.06 1.008 | |
| 928 844 opls_140 56 LEU HD13 292 0.06 1.008 | |
| 929 845 opls_135 56 LEU CD2 293 -0.18 12.011 | |
| 930 846 opls_140 56 LEU HD21 293 0.06 1.008 | |
| 931 847 opls_140 56 LEU HD22 293 0.06 1.008 | |
| 932 848 opls_140 56 LEU HD23 293 0.06 1.008 | |
| 933 849 opls_235 56 LEU C 294 0.5 12.011 | |
| 934 850 opls_236 56 LEU O 294 -0.5 15.9994 ; qtot 3 | |
| 935 ; residue 57 GLN rtp GLN q 0.0 | |
| 936 851 opls_238 57 GLN N 295 -0.5 14.0067 | |
| 937 852 opls_241 57 GLN H 295 0.3 1.008 | |
| 938 853 opls_224B 57 GLN CA 296 0.14 12.011 | |
| 939 854 opls_140 57 GLN HA 296 0.06 1.008 | |
| 940 855 opls_136 57 GLN CB 297 -0.12 12.011 | |
| 941 856 opls_140 57 GLN HB1 297 0.06 1.008 | |
| 942 857 opls_140 57 GLN HB2 297 0.06 1.008 | |
| 943 858 opls_136 57 GLN CG 298 -0.12 12.011 | |
| 944 859 opls_140 57 GLN HG1 298 0.06 1.008 | |
| 945 860 opls_140 57 GLN HG2 298 0.06 1.008 | |
| 946 861 opls_235 57 GLN CD 299 0.5 12.011 | |
| 947 862 opls_236 57 GLN OE1 299 -0.5 15.9994 | |
| 948 863 opls_237 57 GLN NE2 300 -0.76 14.0067 | |
| 949 864 opls_240 57 GLN HE21 300 0.38 1.008 | |
| 950 865 opls_240 57 GLN HE22 300 0.38 1.008 | |
| 951 866 opls_235 57 GLN C 301 0.5 12.011 | |
| 952 867 opls_236 57 GLN O 301 -0.5 15.9994 ; qtot 3 | |
| 953 ; residue 58 ILE rtp ILE q 0.0 | |
| 954 868 opls_238 58 ILE N 302 -0.5 14.0067 | |
| 955 869 opls_241 58 ILE H 302 0.3 1.008 | |
| 956 870 opls_224B 58 ILE CA 302 0.14 12.011 | |
| 957 871 opls_140 58 ILE HA 302 0.06 1.008 | |
| 958 872 opls_137 58 ILE CB 303 -0.06 12.011 | |
| 959 873 opls_140 58 ILE HB 303 0.06 1.008 | |
| 960 874 opls_136 58 ILE CG1 304 -0.12 12.011 | |
| 961 875 opls_140 58 ILE HG11 304 0.06 1.008 | |
| 962 876 opls_140 58 ILE HG12 304 0.06 1.008 | |
| 963 877 opls_135 58 ILE CG2 305 -0.18 12.011 | |
| 964 878 opls_140 58 ILE HG21 305 0.06 1.008 | |
| 965 879 opls_140 58 ILE HG22 305 0.06 1.008 | |
| 966 880 opls_140 58 ILE HG23 305 0.06 1.008 | |
| 967 881 opls_135 58 ILE CD 306 -0.18 12.011 | |
| 968 882 opls_140 58 ILE HD1 306 0.06 1.008 | |
| 969 883 opls_140 58 ILE HD2 306 0.06 1.008 | |
| 970 884 opls_140 58 ILE HD3 306 0.06 1.008 | |
| 971 885 opls_235 58 ILE C 307 0.5 12.011 | |
| 972 886 opls_236 58 ILE O 307 -0.5 15.9994 ; qtot 3 | |
| 973 ; residue 59 ASN rtp ASN q 0.0 | |
| 974 887 opls_238 59 ASN N 308 -0.5 14.0067 | |
| 975 888 opls_241 59 ASN H 308 0.3 1.008 | |
| 976 889 opls_224B 59 ASN CA 309 0.14 12.011 | |
| 977 890 opls_140 59 ASN HA 309 0.06 1.008 | |
| 978 891 opls_136 59 ASN CB 310 -0.12 12.011 | |
| 979 892 opls_140 59 ASN HB1 310 0.06 1.008 | |
| 980 893 opls_140 59 ASN HB2 310 0.06 1.008 | |
| 981 894 opls_235 59 ASN CG 311 0.5 12.011 | |
| 982 895 opls_236 59 ASN OD1 311 -0.5 15.9994 | |
| 983 896 opls_237 59 ASN ND2 312 -0.76 14.0067 | |
| 984 897 opls_240 59 ASN HD21 312 0.38 1.008 | |
| 985 898 opls_240 59 ASN HD22 312 0.38 1.008 | |
| 986 899 opls_235 59 ASN C 313 0.5 12.011 | |
| 987 900 opls_236 59 ASN O 313 -0.5 15.9994 ; qtot 3 | |
| 988 ; residue 60 SER rtp SER q 0.0 | |
| 989 901 opls_238 60 SER N 314 -0.5 14.0067 | |
| 990 902 opls_241 60 SER H 314 0.3 1.008 | |
| 991 903 opls_224B 60 SER CA 314 0.14 12.011 | |
| 992 904 opls_140 60 SER HA 314 0.06 1.008 | |
| 993 905 opls_157 60 SER CB 315 0.145 12.011 | |
| 994 906 opls_140 60 SER HB1 315 0.06 1.008 | |
| 995 907 opls_140 60 SER HB2 315 0.06 1.008 | |
| 996 908 opls_154 60 SER OG 316 -0.683 15.9994 | |
| 997 909 opls_155 60 SER HG 316 0.418 1.008 | |
| 998 910 opls_235 60 SER C 317 0.5 12.011 | |
| 999 911 opls_236 60 SER O 317 -0.5 15.9994 ; qtot 3 | |
| 1000 ; residue 61 ARG rtp ARG q +1.0 | |
| 1001 912 opls_238 61 ARG N 318 -0.5 14.0067 | |
| 1002 913 opls_241 61 ARG H 318 0.3 1.008 | |
| 1003 914 opls_224B 61 ARG CA 318 0.14 12.011 | |
| 1004 915 opls_140 61 ARG HA 318 0.06 1.008 | |
| 1005 916 opls_136 61 ARG CB 319 -0.12 12.011 | |
| 1006 917 opls_140 61 ARG HB1 319 0.06 1.008 | |
| 1007 918 opls_140 61 ARG HB2 319 0.06 1.008 | |
| 1008 919 opls_308 61 ARG CG 320 -0.05 12.011 | |
| 1009 920 opls_140 61 ARG HG1 320 0.06 1.008 | |
| 1010 921 opls_140 61 ARG HG2 320 0.06 1.008 | |
| 1011 922 opls_307 61 ARG CD 321 0.19 12.011 | |
| 1012 923 opls_140 61 ARG HD1 321 0.06 1.008 | |
| 1013 924 opls_140 61 ARG HD2 321 0.06 1.008 | |
| 1014 925 opls_303 61 ARG NE 322 -0.7 14.0067 | |
| 1015 926 opls_304 61 ARG HE 322 0.44 1.008 | |
| 1016 927 opls_302 61 ARG CZ 322 0.64 12.011 | |
| 1017 928 opls_300 61 ARG NH1 323 -0.8 14.0067 | |
| 1018 929 opls_301 61 ARG HH11 323 0.46 1.008 | |
| 1019 930 opls_301 61 ARG HH12 323 0.46 1.008 | |
| 1020 931 opls_300 61 ARG NH2 324 -0.8 14.0067 | |
| 1021 932 opls_301 61 ARG HH21 324 0.46 1.008 | |
| 1022 933 opls_301 61 ARG HH22 324 0.46 1.008 | |
| 1023 934 opls_235 61 ARG C 325 0.5 12.011 | |
| 1024 935 opls_236 61 ARG O 325 -0.5 15.9994 ; qtot 4 | |
| 1025 ; residue 62 TRP rtp TRP q 0.0 | |
| 1026 936 opls_238 62 TRP N 326 -0.5 14.0067 | |
| 1027 937 opls_241 62 TRP H 326 0.3 1.008 | |
| 1028 938 opls_224B 62 TRP CA 326 0.14 12.011 | |
| 1029 939 opls_140 62 TRP HA 326 0.06 1.008 | |
| 1030 940 opls_136 62 TRP CB 327 -0.12 12.011 | |
| 1031 941 opls_140 62 TRP HB1 327 0.06 1.008 | |
| 1032 942 opls_140 62 TRP HB2 327 0.06 1.008 | |
| 1033 943 opls_500 62 TRP CG 328 0.075 12.011 | |
| 1034 944 opls_514 62 TRP CD1 329 -0.115 12.011 | |
| 1035 945 opls_146 62 TRP HD1 329 0.115 1.008 | |
| 1036 946 opls_501 62 TRP CD2 330 -0.055 12.011 | |
| 1037 947 opls_503 62 TRP NE1 331 -0.57 14.0067 | |
| 1038 948 opls_504 62 TRP HE1 331 0.42 1.008 | |
| 1039 949 opls_502 62 TRP CE2 331 0.13 12.011 | |
| 1040 950 opls_145 62 TRP CE3 332 -0.115 12.011 | |
| 1041 951 opls_146 62 TRP HE3 332 0.115 1.008 | |
| 1042 952 opls_145 62 TRP CZ2 333 -0.115 12.011 | |
| 1043 953 opls_146 62 TRP HZ2 333 0.115 1.008 | |
| 1044 954 opls_145 62 TRP CZ3 334 -0.115 12.011 | |
| 1045 955 opls_146 62 TRP HZ3 334 0.115 1.008 | |
| 1046 956 opls_145 62 TRP CH2 335 -0.115 12.011 | |
| 1047 957 opls_146 62 TRP HH2 335 0.115 1.008 | |
| 1048 958 opls_235 62 TRP C 336 0.5 12.011 | |
| 1049 959 opls_236 62 TRP O 336 -0.5 15.9994 ; qtot 4 | |
| 1050 ; residue 63 TRP rtp TRP q 0.0 | |
| 1051 960 opls_238 63 TRP N 337 -0.5 14.0067 | |
| 1052 961 opls_241 63 TRP H 337 0.3 1.008 | |
| 1053 962 opls_224B 63 TRP CA 337 0.14 12.011 | |
| 1054 963 opls_140 63 TRP HA 337 0.06 1.008 | |
| 1055 964 opls_136 63 TRP CB 338 -0.12 12.011 | |
| 1056 965 opls_140 63 TRP HB1 338 0.06 1.008 | |
| 1057 966 opls_140 63 TRP HB2 338 0.06 1.008 | |
| 1058 967 opls_500 63 TRP CG 339 0.075 12.011 | |
| 1059 968 opls_514 63 TRP CD1 340 -0.115 12.011 | |
| 1060 969 opls_146 63 TRP HD1 340 0.115 1.008 | |
| 1061 970 opls_501 63 TRP CD2 341 -0.055 12.011 | |
| 1062 971 opls_503 63 TRP NE1 342 -0.57 14.0067 | |
| 1063 972 opls_504 63 TRP HE1 342 0.42 1.008 | |
| 1064 973 opls_502 63 TRP CE2 342 0.13 12.011 | |
| 1065 974 opls_145 63 TRP CE3 343 -0.115 12.011 | |
| 1066 975 opls_146 63 TRP HE3 343 0.115 1.008 | |
| 1067 976 opls_145 63 TRP CZ2 344 -0.115 12.011 | |
| 1068 977 opls_146 63 TRP HZ2 344 0.115 1.008 | |
| 1069 978 opls_145 63 TRP CZ3 345 -0.115 12.011 | |
| 1070 979 opls_146 63 TRP HZ3 345 0.115 1.008 | |
| 1071 980 opls_145 63 TRP CH2 346 -0.115 12.011 | |
| 1072 981 opls_146 63 TRP HH2 346 0.115 1.008 | |
| 1073 982 opls_235 63 TRP C 347 0.5 12.011 | |
| 1074 983 opls_236 63 TRP O 347 -0.5 15.9994 ; qtot 4 | |
| 1075 ; residue 64 CYS rtp CYS2 q 0.0 | |
| 1076 984 opls_238 64 CYS N 348 -0.5 14.0067 | |
| 1077 985 opls_241 64 CYS H 348 0.3 1.008 | |
| 1078 986 opls_224B 64 CYS CA 348 0.14 12.011 | |
| 1079 987 opls_140 64 CYS HA 348 0.06 1.008 | |
| 1080 988 opls_214 64 CYS CB 349 0.0975 12.011 | |
| 1081 989 opls_140 64 CYS HB1 349 0.06 1.008 | |
| 1082 990 opls_140 64 CYS HB2 349 0.06 1.008 | |
| 1083 991 opls_203 64 CYS SG 349 -0.2175 32.06 | |
| 1084 992 opls_235 64 CYS C 350 0.5 12.011 | |
| 1085 993 opls_236 64 CYS O 350 -0.5 15.9994 ; qtot 4 | |
| 1086 ; residue 65 ASN rtp ASN q 0.0 | |
| 1087 994 opls_238 65 ASN N 351 -0.5 14.0067 | |
| 1088 995 opls_241 65 ASN H 351 0.3 1.008 | |
| 1089 996 opls_224B 65 ASN CA 352 0.14 12.011 | |
| 1090 997 opls_140 65 ASN HA 352 0.06 1.008 | |
| 1091 998 opls_136 65 ASN CB 353 -0.12 12.011 | |
| 1092 999 opls_140 65 ASN HB1 353 0.06 1.008 | |
| 1093 1000 opls_140 65 ASN HB2 353 0.06 1.008 | |
| 1094 1001 opls_235 65 ASN CG 354 0.5 12.011 | |
| 1095 1002 opls_236 65 ASN OD1 354 -0.5 15.9994 | |
| 1096 1003 opls_237 65 ASN ND2 355 -0.76 14.0067 | |
| 1097 1004 opls_240 65 ASN HD21 355 0.38 1.008 | |
| 1098 1005 opls_240 65 ASN HD22 355 0.38 1.008 | |
| 1099 1006 opls_235 65 ASN C 356 0.5 12.011 | |
| 1100 1007 opls_236 65 ASN O 356 -0.5 15.9994 ; qtot 4 | |
| 1101 ; residue 66 ASP rtp ASP q -1.0 | |
| 1102 1008 opls_238 66 ASP N 357 -0.5 14.0067 | |
| 1103 1009 opls_241 66 ASP H 357 0.3 1.008 | |
| 1104 1010 opls_224B 66 ASP CA 357 0.14 12.011 | |
| 1105 1011 opls_140 66 ASP HA 357 0.06 1.008 | |
| 1106 1012 opls_274 66 ASP CB 358 -0.22 12.011 | |
| 1107 1013 opls_140 66 ASP HB1 358 0.06 1.008 | |
| 1108 1014 opls_140 66 ASP HB2 358 0.06 1.008 | |
| 1109 1015 opls_271 66 ASP CG 359 0.7 12.011 | |
| 1110 1016 opls_272 66 ASP OD1 359 -0.8 15.9994 | |
| 1111 1017 opls_272 66 ASP OD2 359 -0.8 15.9994 | |
| 1112 1018 opls_235 66 ASP C 360 0.5 12.011 | |
| 1113 1019 opls_236 66 ASP O 360 -0.5 15.9994 ; qtot 3 | |
| 1114 ; residue 67 GLY rtp GLY q 0.0 | |
| 1115 1020 opls_238 67 GLY N 361 -0.5 14.0067 | |
| 1116 1021 opls_241 67 GLY H 361 0.3 1.008 | |
| 1117 1022 opls_223B 67 GLY CA 361 0.08 12.011 | |
| 1118 1023 opls_140 67 GLY HA1 361 0.06 1.008 | |
| 1119 1024 opls_140 67 GLY HA2 361 0.06 1.008 | |
| 1120 1025 opls_235 67 GLY C 362 0.5 12.011 | |
| 1121 1026 opls_236 67 GLY O 362 -0.5 15.9994 ; qtot 3 | |
| 1122 ; residue 68 ARG rtp ARG q +1.0 | |
| 1123 1027 opls_238 68 ARG N 363 -0.5 14.0067 | |
| 1124 1028 opls_241 68 ARG H 363 0.3 1.008 | |
| 1125 1029 opls_224B 68 ARG CA 363 0.14 12.011 | |
| 1126 1030 opls_140 68 ARG HA 363 0.06 1.008 | |
| 1127 1031 opls_136 68 ARG CB 364 -0.12 12.011 | |
| 1128 1032 opls_140 68 ARG HB1 364 0.06 1.008 | |
| 1129 1033 opls_140 68 ARG HB2 364 0.06 1.008 | |
| 1130 1034 opls_308 68 ARG CG 365 -0.05 12.011 | |
| 1131 1035 opls_140 68 ARG HG1 365 0.06 1.008 | |
| 1132 1036 opls_140 68 ARG HG2 365 0.06 1.008 | |
| 1133 1037 opls_307 68 ARG CD 366 0.19 12.011 | |
| 1134 1038 opls_140 68 ARG HD1 366 0.06 1.008 | |
| 1135 1039 opls_140 68 ARG HD2 366 0.06 1.008 | |
| 1136 1040 opls_303 68 ARG NE 367 -0.7 14.0067 | |
| 1137 1041 opls_304 68 ARG HE 367 0.44 1.008 | |
| 1138 1042 opls_302 68 ARG CZ 367 0.64 12.011 | |
| 1139 1043 opls_300 68 ARG NH1 368 -0.8 14.0067 | |
| 1140 1044 opls_301 68 ARG HH11 368 0.46 1.008 | |
| 1141 1045 opls_301 68 ARG HH12 368 0.46 1.008 | |
| 1142 1046 opls_300 68 ARG NH2 369 -0.8 14.0067 | |
| 1143 1047 opls_301 68 ARG HH21 369 0.46 1.008 | |
| 1144 1048 opls_301 68 ARG HH22 369 0.46 1.008 | |
| 1145 1049 opls_235 68 ARG C 370 0.5 12.011 | |
| 1146 1050 opls_236 68 ARG O 370 -0.5 15.9994 ; qtot 4 | |
| 1147 ; residue 69 THR rtp THR q 0.0 | |
| 1148 1051 opls_238 69 THR N 371 -0.5 14.0067 | |
| 1149 1052 opls_241 69 THR H 371 0.3 1.008 | |
| 1150 1053 opls_224B 69 THR CA 371 0.14 12.011 | |
| 1151 1054 opls_140 69 THR HA 371 0.06 1.008 | |
| 1152 1055 opls_158 69 THR CB 372 0.205 12.011 | |
| 1153 1056 opls_140 69 THR HB 372 0.06 1.008 | |
| 1154 1057 opls_154 69 THR OG1 372 -0.683 15.9994 | |
| 1155 1058 opls_155 69 THR HG1 372 0.418 1.008 | |
| 1156 1059 opls_135 69 THR CG2 373 -0.18 12.011 | |
| 1157 1060 opls_140 69 THR HG21 373 0.06 1.008 | |
| 1158 1061 opls_140 69 THR HG22 373 0.06 1.008 | |
| 1159 1062 opls_140 69 THR HG23 373 0.06 1.008 | |
| 1160 1063 opls_235 69 THR C 374 0.5 12.011 | |
| 1161 1064 opls_236 69 THR O 374 -0.5 15.9994 ; qtot 4 | |
| 1162 ; residue 70 PRO rtp PRO q 0.0 | |
| 1163 1065 opls_239 70 PRO N 375 -0.14 14.0067 | |
| 1164 1066 opls_246 70 PRO CA 375 0.01 12.011 | |
| 1165 1067 opls_140 70 PRO HA 375 0.06 1.008 | |
| 1166 1068 opls_136 70 PRO CB 376 -0.12 12.011 | |
| 1167 1069 opls_140 70 PRO HB1 376 0.06 1.008 | |
| 1168 1070 opls_140 70 PRO HB2 376 0.06 1.008 | |
| 1169 1071 opls_136 70 PRO CG 377 -0.12 12.011 | |
| 1170 1072 opls_140 70 PRO HG1 377 0.06 1.008 | |
| 1171 1073 opls_140 70 PRO HG2 377 0.06 1.008 | |
| 1172 1074 opls_245 70 PRO CD 378 -0.05 12.011 | |
| 1173 1075 opls_140 70 PRO HD1 378 0.06 1.008 | |
| 1174 1076 opls_140 70 PRO HD2 378 0.06 1.008 | |
| 1175 1077 opls_235 70 PRO C 379 0.5 12.011 | |
| 1176 1078 opls_236 70 PRO O 379 -0.5 15.9994 ; qtot 4 | |
| 1177 ; residue 71 GLY rtp GLY q 0.0 | |
| 1178 1079 opls_238 71 GLY N 380 -0.5 14.0067 | |
| 1179 1080 opls_241 71 GLY H 380 0.3 1.008 | |
| 1180 1081 opls_223B 71 GLY CA 380 0.08 12.011 | |
| 1181 1082 opls_140 71 GLY HA1 380 0.06 1.008 | |
| 1182 1083 opls_140 71 GLY HA2 380 0.06 1.008 | |
| 1183 1084 opls_235 71 GLY C 381 0.5 12.011 | |
| 1184 1085 opls_236 71 GLY O 381 -0.5 15.9994 ; qtot 4 | |
| 1185 ; residue 72 SER rtp SER q 0.0 | |
| 1186 1086 opls_238 72 SER N 382 -0.5 14.0067 | |
| 1187 1087 opls_241 72 SER H 382 0.3 1.008 | |
| 1188 1088 opls_224B 72 SER CA 382 0.14 12.011 | |
| 1189 1089 opls_140 72 SER HA 382 0.06 1.008 | |
| 1190 1090 opls_157 72 SER CB 383 0.145 12.011 | |
| 1191 1091 opls_140 72 SER HB1 383 0.06 1.008 | |
| 1192 1092 opls_140 72 SER HB2 383 0.06 1.008 | |
| 1193 1093 opls_154 72 SER OG 384 -0.683 15.9994 | |
| 1194 1094 opls_155 72 SER HG 384 0.418 1.008 | |
| 1195 1095 opls_235 72 SER C 385 0.5 12.011 | |
| 1196 1096 opls_236 72 SER O 385 -0.5 15.9994 ; qtot 4 | |
| 1197 ; residue 73 ARG rtp ARG q +1.0 | |
| 1198 1097 opls_238 73 ARG N 386 -0.5 14.0067 | |
| 1199 1098 opls_241 73 ARG H 386 0.3 1.008 | |
| 1200 1099 opls_224B 73 ARG CA 386 0.14 12.011 | |
| 1201 1100 opls_140 73 ARG HA 386 0.06 1.008 | |
| 1202 1101 opls_136 73 ARG CB 387 -0.12 12.011 | |
| 1203 1102 opls_140 73 ARG HB1 387 0.06 1.008 | |
| 1204 1103 opls_140 73 ARG HB2 387 0.06 1.008 | |
| 1205 1104 opls_308 73 ARG CG 388 -0.05 12.011 | |
| 1206 1105 opls_140 73 ARG HG1 388 0.06 1.008 | |
| 1207 1106 opls_140 73 ARG HG2 388 0.06 1.008 | |
| 1208 1107 opls_307 73 ARG CD 389 0.19 12.011 | |
| 1209 1108 opls_140 73 ARG HD1 389 0.06 1.008 | |
| 1210 1109 opls_140 73 ARG HD2 389 0.06 1.008 | |
| 1211 1110 opls_303 73 ARG NE 390 -0.7 14.0067 | |
| 1212 1111 opls_304 73 ARG HE 390 0.44 1.008 | |
| 1213 1112 opls_302 73 ARG CZ 390 0.64 12.011 | |
| 1214 1113 opls_300 73 ARG NH1 391 -0.8 14.0067 | |
| 1215 1114 opls_301 73 ARG HH11 391 0.46 1.008 | |
| 1216 1115 opls_301 73 ARG HH12 391 0.46 1.008 | |
| 1217 1116 opls_300 73 ARG NH2 392 -0.8 14.0067 | |
| 1218 1117 opls_301 73 ARG HH21 392 0.46 1.008 | |
| 1219 1118 opls_301 73 ARG HH22 392 0.46 1.008 | |
| 1220 1119 opls_235 73 ARG C 393 0.5 12.011 | |
| 1221 1120 opls_236 73 ARG O 393 -0.5 15.9994 ; qtot 5 | |
| 1222 ; residue 74 ASN rtp ASN q 0.0 | |
| 1223 1121 opls_238 74 ASN N 394 -0.5 14.0067 | |
| 1224 1122 opls_241 74 ASN H 394 0.3 1.008 | |
| 1225 1123 opls_224B 74 ASN CA 395 0.14 12.011 | |
| 1226 1124 opls_140 74 ASN HA 395 0.06 1.008 | |
| 1227 1125 opls_136 74 ASN CB 396 -0.12 12.011 | |
| 1228 1126 opls_140 74 ASN HB1 396 0.06 1.008 | |
| 1229 1127 opls_140 74 ASN HB2 396 0.06 1.008 | |
| 1230 1128 opls_235 74 ASN CG 397 0.5 12.011 | |
| 1231 1129 opls_236 74 ASN OD1 397 -0.5 15.9994 | |
| 1232 1130 opls_237 74 ASN ND2 398 -0.76 14.0067 | |
| 1233 1131 opls_240 74 ASN HD21 398 0.38 1.008 | |
| 1234 1132 opls_240 74 ASN HD22 398 0.38 1.008 | |
| 1235 1133 opls_235 74 ASN C 399 0.5 12.011 | |
| 1236 1134 opls_236 74 ASN O 399 -0.5 15.9994 ; qtot 5 | |
| 1237 ; residue 75 LEU rtp LEU q 0.0 | |
| 1238 1135 opls_238 75 LEU N 400 -0.5 14.0067 | |
| 1239 1136 opls_241 75 LEU H 400 0.3 1.008 | |
| 1240 1137 opls_224B 75 LEU CA 400 0.14 12.011 | |
| 1241 1138 opls_140 75 LEU HA 400 0.06 1.008 | |
| 1242 1139 opls_136 75 LEU CB 401 -0.12 12.011 | |
| 1243 1140 opls_140 75 LEU HB1 401 0.06 1.008 | |
| 1244 1141 opls_140 75 LEU HB2 401 0.06 1.008 | |
| 1245 1142 opls_137 75 LEU CG 402 -0.06 12.011 | |
| 1246 1143 opls_140 75 LEU HG 402 0.06 1.008 | |
| 1247 1144 opls_135 75 LEU CD1 403 -0.18 12.011 | |
| 1248 1145 opls_140 75 LEU HD11 403 0.06 1.008 | |
| 1249 1146 opls_140 75 LEU HD12 403 0.06 1.008 | |
| 1250 1147 opls_140 75 LEU HD13 403 0.06 1.008 | |
| 1251 1148 opls_135 75 LEU CD2 404 -0.18 12.011 | |
| 1252 1149 opls_140 75 LEU HD21 404 0.06 1.008 | |
| 1253 1150 opls_140 75 LEU HD22 404 0.06 1.008 | |
| 1254 1151 opls_140 75 LEU HD23 404 0.06 1.008 | |
| 1255 1152 opls_235 75 LEU C 405 0.5 12.011 | |
| 1256 1153 opls_236 75 LEU O 405 -0.5 15.9994 ; qtot 5 | |
| 1257 ; residue 76 CYS rtp CYS2 q 0.0 | |
| 1258 1154 opls_238 76 CYS N 406 -0.5 14.0067 | |
| 1259 1155 opls_241 76 CYS H 406 0.3 1.008 | |
| 1260 1156 opls_224B 76 CYS CA 406 0.14 12.011 | |
| 1261 1157 opls_140 76 CYS HA 406 0.06 1.008 | |
| 1262 1158 opls_214 76 CYS CB 407 0.0975 12.011 | |
| 1263 1159 opls_140 76 CYS HB1 407 0.06 1.008 | |
| 1264 1160 opls_140 76 CYS HB2 407 0.06 1.008 | |
| 1265 1161 opls_203 76 CYS SG 407 -0.2175 32.06 | |
| 1266 1162 opls_235 76 CYS C 408 0.5 12.011 | |
| 1267 1163 opls_236 76 CYS O 408 -0.5 15.9994 ; qtot 5 | |
| 1268 ; residue 77 ASN rtp ASN q 0.0 | |
| 1269 1164 opls_238 77 ASN N 409 -0.5 14.0067 | |
| 1270 1165 opls_241 77 ASN H 409 0.3 1.008 | |
| 1271 1166 opls_224B 77 ASN CA 410 0.14 12.011 | |
| 1272 1167 opls_140 77 ASN HA 410 0.06 1.008 | |
| 1273 1168 opls_136 77 ASN CB 411 -0.12 12.011 | |
| 1274 1169 opls_140 77 ASN HB1 411 0.06 1.008 | |
| 1275 1170 opls_140 77 ASN HB2 411 0.06 1.008 | |
| 1276 1171 opls_235 77 ASN CG 412 0.5 12.011 | |
| 1277 1172 opls_236 77 ASN OD1 412 -0.5 15.9994 | |
| 1278 1173 opls_237 77 ASN ND2 413 -0.76 14.0067 | |
| 1279 1174 opls_240 77 ASN HD21 413 0.38 1.008 | |
| 1280 1175 opls_240 77 ASN HD22 413 0.38 1.008 | |
| 1281 1176 opls_235 77 ASN C 414 0.5 12.011 | |
| 1282 1177 opls_236 77 ASN O 414 -0.5 15.9994 ; qtot 5 | |
| 1283 ; residue 78 ILE rtp ILE q 0.0 | |
| 1284 1178 opls_238 78 ILE N 415 -0.5 14.0067 | |
| 1285 1179 opls_241 78 ILE H 415 0.3 1.008 | |
| 1286 1180 opls_224B 78 ILE CA 415 0.14 12.011 | |
| 1287 1181 opls_140 78 ILE HA 415 0.06 1.008 | |
| 1288 1182 opls_137 78 ILE CB 416 -0.06 12.011 | |
| 1289 1183 opls_140 78 ILE HB 416 0.06 1.008 | |
| 1290 1184 opls_136 78 ILE CG1 417 -0.12 12.011 | |
| 1291 1185 opls_140 78 ILE HG11 417 0.06 1.008 | |
| 1292 1186 opls_140 78 ILE HG12 417 0.06 1.008 | |
| 1293 1187 opls_135 78 ILE CG2 418 -0.18 12.011 | |
| 1294 1188 opls_140 78 ILE HG21 418 0.06 1.008 | |
| 1295 1189 opls_140 78 ILE HG22 418 0.06 1.008 | |
| 1296 1190 opls_140 78 ILE HG23 418 0.06 1.008 | |
| 1297 1191 opls_135 78 ILE CD 419 -0.18 12.011 | |
| 1298 1192 opls_140 78 ILE HD1 419 0.06 1.008 | |
| 1299 1193 opls_140 78 ILE HD2 419 0.06 1.008 | |
| 1300 1194 opls_140 78 ILE HD3 419 0.06 1.008 | |
| 1301 1195 opls_235 78 ILE C 420 0.5 12.011 | |
| 1302 1196 opls_236 78 ILE O 420 -0.5 15.9994 ; qtot 5 | |
| 1303 ; residue 79 PRO rtp PRO q 0.0 | |
| 1304 1197 opls_239 79 PRO N 421 -0.14 14.0067 | |
| 1305 1198 opls_246 79 PRO CA 421 0.01 12.011 | |
| 1306 1199 opls_140 79 PRO HA 421 0.06 1.008 | |
| 1307 1200 opls_136 79 PRO CB 422 -0.12 12.011 | |
| 1308 1201 opls_140 79 PRO HB1 422 0.06 1.008 | |
| 1309 1202 opls_140 79 PRO HB2 422 0.06 1.008 | |
| 1310 1203 opls_136 79 PRO CG 423 -0.12 12.011 | |
| 1311 1204 opls_140 79 PRO HG1 423 0.06 1.008 | |
| 1312 1205 opls_140 79 PRO HG2 423 0.06 1.008 | |
| 1313 1206 opls_245 79 PRO CD 424 -0.05 12.011 | |
| 1314 1207 opls_140 79 PRO HD1 424 0.06 1.008 | |
| 1315 1208 opls_140 79 PRO HD2 424 0.06 1.008 | |
| 1316 1209 opls_235 79 PRO C 425 0.5 12.011 | |
| 1317 1210 opls_236 79 PRO O 425 -0.5 15.9994 ; qtot 5 | |
| 1318 ; residue 80 CYS rtp CYS2 q 0.0 | |
| 1319 1211 opls_238 80 CYS N 426 -0.5 14.0067 | |
| 1320 1212 opls_241 80 CYS H 426 0.3 1.008 | |
| 1321 1213 opls_224B 80 CYS CA 426 0.14 12.011 | |
| 1322 1214 opls_140 80 CYS HA 426 0.06 1.008 | |
| 1323 1215 opls_214 80 CYS CB 427 0.0975 12.011 | |
| 1324 1216 opls_140 80 CYS HB1 427 0.06 1.008 | |
| 1325 1217 opls_140 80 CYS HB2 427 0.06 1.008 | |
| 1326 1218 opls_203 80 CYS SG 427 -0.2175 32.06 | |
| 1327 1219 opls_235 80 CYS C 428 0.5 12.011 | |
| 1328 1220 opls_236 80 CYS O 428 -0.5 15.9994 ; qtot 5 | |
| 1329 ; residue 81 SER rtp SER q 0.0 | |
| 1330 1221 opls_238 81 SER N 429 -0.5 14.0067 | |
| 1331 1222 opls_241 81 SER H 429 0.3 1.008 | |
| 1332 1223 opls_224B 81 SER CA 429 0.14 12.011 | |
| 1333 1224 opls_140 81 SER HA 429 0.06 1.008 | |
| 1334 1225 opls_157 81 SER CB 430 0.145 12.011 | |
| 1335 1226 opls_140 81 SER HB1 430 0.06 1.008 | |
| 1336 1227 opls_140 81 SER HB2 430 0.06 1.008 | |
| 1337 1228 opls_154 81 SER OG 431 -0.683 15.9994 | |
| 1338 1229 opls_155 81 SER HG 431 0.418 1.008 | |
| 1339 1230 opls_235 81 SER C 432 0.5 12.011 | |
| 1340 1231 opls_236 81 SER O 432 -0.5 15.9994 ; qtot 5 | |
| 1341 ; residue 82 ALA rtp ALA q 0.0 | |
| 1342 1232 opls_238 82 ALA N 433 -0.5 14.0067 | |
| 1343 1233 opls_241 82 ALA H 433 0.3 1.008 | |
| 1344 1234 opls_224B 82 ALA CA 433 0.14 12.011 | |
| 1345 1235 opls_140 82 ALA HA 433 0.06 1.008 | |
| 1346 1236 opls_135 82 ALA CB 434 -0.18 12.011 | |
| 1347 1237 opls_140 82 ALA HB1 434 0.06 1.008 | |
| 1348 1238 opls_140 82 ALA HB2 434 0.06 1.008 | |
| 1349 1239 opls_140 82 ALA HB3 434 0.06 1.008 | |
| 1350 1240 opls_235 82 ALA C 435 0.5 12.011 | |
| 1351 1241 opls_236 82 ALA O 435 -0.5 15.9994 ; qtot 5 | |
| 1352 ; residue 83 LEU rtp LEU q 0.0 | |
| 1353 1242 opls_238 83 LEU N 436 -0.5 14.0067 | |
| 1354 1243 opls_241 83 LEU H 436 0.3 1.008 | |
| 1355 1244 opls_224B 83 LEU CA 436 0.14 12.011 | |
| 1356 1245 opls_140 83 LEU HA 436 0.06 1.008 | |
| 1357 1246 opls_136 83 LEU CB 437 -0.12 12.011 | |
| 1358 1247 opls_140 83 LEU HB1 437 0.06 1.008 | |
| 1359 1248 opls_140 83 LEU HB2 437 0.06 1.008 | |
| 1360 1249 opls_137 83 LEU CG 438 -0.06 12.011 | |
| 1361 1250 opls_140 83 LEU HG 438 0.06 1.008 | |
| 1362 1251 opls_135 83 LEU CD1 439 -0.18 12.011 | |
| 1363 1252 opls_140 83 LEU HD11 439 0.06 1.008 | |
| 1364 1253 opls_140 83 LEU HD12 439 0.06 1.008 | |
| 1365 1254 opls_140 83 LEU HD13 439 0.06 1.008 | |
| 1366 1255 opls_135 83 LEU CD2 440 -0.18 12.011 | |
| 1367 1256 opls_140 83 LEU HD21 440 0.06 1.008 | |
| 1368 1257 opls_140 83 LEU HD22 440 0.06 1.008 | |
| 1369 1258 opls_140 83 LEU HD23 440 0.06 1.008 | |
| 1370 1259 opls_235 83 LEU C 441 0.5 12.011 | |
| 1371 1260 opls_236 83 LEU O 441 -0.5 15.9994 ; qtot 5 | |
| 1372 ; residue 84 LEU rtp LEU q 0.0 | |
| 1373 1261 opls_238 84 LEU N 442 -0.5 14.0067 | |
| 1374 1262 opls_241 84 LEU H 442 0.3 1.008 | |
| 1375 1263 opls_224B 84 LEU CA 442 0.14 12.011 | |
| 1376 1264 opls_140 84 LEU HA 442 0.06 1.008 | |
| 1377 1265 opls_136 84 LEU CB 443 -0.12 12.011 | |
| 1378 1266 opls_140 84 LEU HB1 443 0.06 1.008 | |
| 1379 1267 opls_140 84 LEU HB2 443 0.06 1.008 | |
| 1380 1268 opls_137 84 LEU CG 444 -0.06 12.011 | |
| 1381 1269 opls_140 84 LEU HG 444 0.06 1.008 | |
| 1382 1270 opls_135 84 LEU CD1 445 -0.18 12.011 | |
| 1383 1271 opls_140 84 LEU HD11 445 0.06 1.008 | |
| 1384 1272 opls_140 84 LEU HD12 445 0.06 1.008 | |
| 1385 1273 opls_140 84 LEU HD13 445 0.06 1.008 | |
| 1386 1274 opls_135 84 LEU CD2 446 -0.18 12.011 | |
| 1387 1275 opls_140 84 LEU HD21 446 0.06 1.008 | |
| 1388 1276 opls_140 84 LEU HD22 446 0.06 1.008 | |
| 1389 1277 opls_140 84 LEU HD23 446 0.06 1.008 | |
| 1390 1278 opls_235 84 LEU C 447 0.5 12.011 | |
| 1391 1279 opls_236 84 LEU O 447 -0.5 15.9994 ; qtot 5 | |
| 1392 ; residue 85 SER rtp SER q 0.0 | |
| 1393 1280 opls_238 85 SER N 448 -0.5 14.0067 | |
| 1394 1281 opls_241 85 SER H 448 0.3 1.008 | |
| 1395 1282 opls_224B 85 SER CA 448 0.14 12.011 | |
| 1396 1283 opls_140 85 SER HA 448 0.06 1.008 | |
| 1397 1284 opls_157 85 SER CB 449 0.145 12.011 | |
| 1398 1285 opls_140 85 SER HB1 449 0.06 1.008 | |
| 1399 1286 opls_140 85 SER HB2 449 0.06 1.008 | |
| 1400 1287 opls_154 85 SER OG 450 -0.683 15.9994 | |
| 1401 1288 opls_155 85 SER HG 450 0.418 1.008 | |
| 1402 1289 opls_235 85 SER C 451 0.5 12.011 | |
| 1403 1290 opls_236 85 SER O 451 -0.5 15.9994 ; qtot 5 | |
| 1404 ; residue 86 SER rtp SER q 0.0 | |
| 1405 1291 opls_238 86 SER N 452 -0.5 14.0067 | |
| 1406 1292 opls_241 86 SER H 452 0.3 1.008 | |
| 1407 1293 opls_224B 86 SER CA 452 0.14 12.011 | |
| 1408 1294 opls_140 86 SER HA 452 0.06 1.008 | |
| 1409 1295 opls_157 86 SER CB 453 0.145 12.011 | |
| 1410 1296 opls_140 86 SER HB1 453 0.06 1.008 | |
| 1411 1297 opls_140 86 SER HB2 453 0.06 1.008 | |
| 1412 1298 opls_154 86 SER OG 454 -0.683 15.9994 | |
| 1413 1299 opls_155 86 SER HG 454 0.418 1.008 | |
| 1414 1300 opls_235 86 SER C 455 0.5 12.011 | |
| 1415 1301 opls_236 86 SER O 455 -0.5 15.9994 ; qtot 5 | |
| 1416 ; residue 87 ASP rtp ASP q -1.0 | |
| 1417 1302 opls_238 87 ASP N 456 -0.5 14.0067 | |
| 1418 1303 opls_241 87 ASP H 456 0.3 1.008 | |
| 1419 1304 opls_224B 87 ASP CA 456 0.14 12.011 | |
| 1420 1305 opls_140 87 ASP HA 456 0.06 1.008 | |
| 1421 1306 opls_274 87 ASP CB 457 -0.22 12.011 | |
| 1422 1307 opls_140 87 ASP HB1 457 0.06 1.008 | |
| 1423 1308 opls_140 87 ASP HB2 457 0.06 1.008 | |
| 1424 1309 opls_271 87 ASP CG 458 0.7 12.011 | |
| 1425 1310 opls_272 87 ASP OD1 458 -0.8 15.9994 | |
| 1426 1311 opls_272 87 ASP OD2 458 -0.8 15.9994 | |
| 1427 1312 opls_235 87 ASP C 459 0.5 12.011 | |
| 1428 1313 opls_236 87 ASP O 459 -0.5 15.9994 ; qtot 4 | |
| 1429 ; residue 88 ILE rtp ILE q 0.0 | |
| 1430 1314 opls_238 88 ILE N 460 -0.5 14.0067 | |
| 1431 1315 opls_241 88 ILE H 460 0.3 1.008 | |
| 1432 1316 opls_224B 88 ILE CA 460 0.14 12.011 | |
| 1433 1317 opls_140 88 ILE HA 460 0.06 1.008 | |
| 1434 1318 opls_137 88 ILE CB 461 -0.06 12.011 | |
| 1435 1319 opls_140 88 ILE HB 461 0.06 1.008 | |
| 1436 1320 opls_136 88 ILE CG1 462 -0.12 12.011 | |
| 1437 1321 opls_140 88 ILE HG11 462 0.06 1.008 | |
| 1438 1322 opls_140 88 ILE HG12 462 0.06 1.008 | |
| 1439 1323 opls_135 88 ILE CG2 463 -0.18 12.011 | |
| 1440 1324 opls_140 88 ILE HG21 463 0.06 1.008 | |
| 1441 1325 opls_140 88 ILE HG22 463 0.06 1.008 | |
| 1442 1326 opls_140 88 ILE HG23 463 0.06 1.008 | |
| 1443 1327 opls_135 88 ILE CD 464 -0.18 12.011 | |
| 1444 1328 opls_140 88 ILE HD1 464 0.06 1.008 | |
| 1445 1329 opls_140 88 ILE HD2 464 0.06 1.008 | |
| 1446 1330 opls_140 88 ILE HD3 464 0.06 1.008 | |
| 1447 1331 opls_235 88 ILE C 465 0.5 12.011 | |
| 1448 1332 opls_236 88 ILE O 465 -0.5 15.9994 ; qtot 4 | |
| 1449 ; residue 89 THR rtp THR q 0.0 | |
| 1450 1333 opls_238 89 THR N 466 -0.5 14.0067 | |
| 1451 1334 opls_241 89 THR H 466 0.3 1.008 | |
| 1452 1335 opls_224B 89 THR CA 466 0.14 12.011 | |
| 1453 1336 opls_140 89 THR HA 466 0.06 1.008 | |
| 1454 1337 opls_158 89 THR CB 467 0.205 12.011 | |
| 1455 1338 opls_140 89 THR HB 467 0.06 1.008 | |
| 1456 1339 opls_154 89 THR OG1 467 -0.683 15.9994 | |
| 1457 1340 opls_155 89 THR HG1 467 0.418 1.008 | |
| 1458 1341 opls_135 89 THR CG2 468 -0.18 12.011 | |
| 1459 1342 opls_140 89 THR HG21 468 0.06 1.008 | |
| 1460 1343 opls_140 89 THR HG22 468 0.06 1.008 | |
| 1461 1344 opls_140 89 THR HG23 468 0.06 1.008 | |
| 1462 1345 opls_235 89 THR C 469 0.5 12.011 | |
| 1463 1346 opls_236 89 THR O 469 -0.5 15.9994 ; qtot 4 | |
| 1464 ; residue 90 ALA rtp ALA q 0.0 | |
| 1465 1347 opls_238 90 ALA N 470 -0.5 14.0067 | |
| 1466 1348 opls_241 90 ALA H 470 0.3 1.008 | |
| 1467 1349 opls_224B 90 ALA CA 470 0.14 12.011 | |
| 1468 1350 opls_140 90 ALA HA 470 0.06 1.008 | |
| 1469 1351 opls_135 90 ALA CB 471 -0.18 12.011 | |
| 1470 1352 opls_140 90 ALA HB1 471 0.06 1.008 | |
| 1471 1353 opls_140 90 ALA HB2 471 0.06 1.008 | |
| 1472 1354 opls_140 90 ALA HB3 471 0.06 1.008 | |
| 1473 1355 opls_235 90 ALA C 472 0.5 12.011 | |
| 1474 1356 opls_236 90 ALA O 472 -0.5 15.9994 ; qtot 4 | |
| 1475 ; residue 91 SER rtp SER q 0.0 | |
| 1476 1357 opls_238 91 SER N 473 -0.5 14.0067 | |
| 1477 1358 opls_241 91 SER H 473 0.3 1.008 | |
| 1478 1359 opls_224B 91 SER CA 473 0.14 12.011 | |
| 1479 1360 opls_140 91 SER HA 473 0.06 1.008 | |
| 1480 1361 opls_157 91 SER CB 474 0.145 12.011 | |
| 1481 1362 opls_140 91 SER HB1 474 0.06 1.008 | |
| 1482 1363 opls_140 91 SER HB2 474 0.06 1.008 | |
| 1483 1364 opls_154 91 SER OG 475 -0.683 15.9994 | |
| 1484 1365 opls_155 91 SER HG 475 0.418 1.008 | |
| 1485 1366 opls_235 91 SER C 476 0.5 12.011 | |
| 1486 1367 opls_236 91 SER O 476 -0.5 15.9994 ; qtot 4 | |
| 1487 ; residue 92 VAL rtp VAL q 0.0 | |
| 1488 1368 opls_238 92 VAL N 477 -0.5 14.0067 | |
| 1489 1369 opls_241 92 VAL H 477 0.3 1.008 | |
| 1490 1370 opls_224B 92 VAL CA 477 0.14 12.011 | |
| 1491 1371 opls_140 92 VAL HA 477 0.06 1.008 | |
| 1492 1372 opls_137 92 VAL CB 478 -0.06 12.011 | |
| 1493 1373 opls_140 92 VAL HB 478 0.06 1.008 | |
| 1494 1374 opls_135 92 VAL CG1 479 -0.18 12.011 | |
| 1495 1375 opls_140 92 VAL HG11 479 0.06 1.008 | |
| 1496 1376 opls_140 92 VAL HG12 479 0.06 1.008 | |
| 1497 1377 opls_140 92 VAL HG13 479 0.06 1.008 | |
| 1498 1378 opls_135 92 VAL CG2 480 -0.18 12.011 | |
| 1499 1379 opls_140 92 VAL HG21 480 0.06 1.008 | |
| 1500 1380 opls_140 92 VAL HG22 480 0.06 1.008 | |
| 1501 1381 opls_140 92 VAL HG23 480 0.06 1.008 | |
| 1502 1382 opls_235 92 VAL C 481 0.5 12.011 | |
| 1503 1383 opls_236 92 VAL O 481 -0.5 15.9994 ; qtot 4 | |
| 1504 ; residue 93 ASN rtp ASN q 0.0 | |
| 1505 1384 opls_238 93 ASN N 482 -0.5 14.0067 | |
| 1506 1385 opls_241 93 ASN H 482 0.3 1.008 | |
| 1507 1386 opls_224B 93 ASN CA 483 0.14 12.011 | |
| 1508 1387 opls_140 93 ASN HA 483 0.06 1.008 | |
| 1509 1388 opls_136 93 ASN CB 484 -0.12 12.011 | |
| 1510 1389 opls_140 93 ASN HB1 484 0.06 1.008 | |
| 1511 1390 opls_140 93 ASN HB2 484 0.06 1.008 | |
| 1512 1391 opls_235 93 ASN CG 485 0.5 12.011 | |
| 1513 1392 opls_236 93 ASN OD1 485 -0.5 15.9994 | |
| 1514 1393 opls_237 93 ASN ND2 486 -0.76 14.0067 | |
| 1515 1394 opls_240 93 ASN HD21 486 0.38 1.008 | |
| 1516 1395 opls_240 93 ASN HD22 486 0.38 1.008 | |
| 1517 1396 opls_235 93 ASN C 487 0.5 12.011 | |
| 1518 1397 opls_236 93 ASN O 487 -0.5 15.9994 ; qtot 4 | |
| 1519 ; residue 94 CYS rtp CYS2 q 0.0 | |
| 1520 1398 opls_238 94 CYS N 488 -0.5 14.0067 | |
| 1521 1399 opls_241 94 CYS H 488 0.3 1.008 | |
| 1522 1400 opls_224B 94 CYS CA 488 0.14 12.011 | |
| 1523 1401 opls_140 94 CYS HA 488 0.06 1.008 | |
| 1524 1402 opls_214 94 CYS CB 489 0.0975 12.011 | |
| 1525 1403 opls_140 94 CYS HB1 489 0.06 1.008 | |
| 1526 1404 opls_140 94 CYS HB2 489 0.06 1.008 | |
| 1527 1405 opls_203 94 CYS SG 489 -0.2175 32.06 | |
| 1528 1406 opls_235 94 CYS C 490 0.5 12.011 | |
| 1529 1407 opls_236 94 CYS O 490 -0.5 15.9994 ; qtot 4 | |
| 1530 ; residue 95 ALA rtp ALA q 0.0 | |
| 1531 1408 opls_238 95 ALA N 491 -0.5 14.0067 | |
| 1532 1409 opls_241 95 ALA H 491 0.3 1.008 | |
| 1533 1410 opls_224B 95 ALA CA 491 0.14 12.011 | |
| 1534 1411 opls_140 95 ALA HA 491 0.06 1.008 | |
| 1535 1412 opls_135 95 ALA CB 492 -0.18 12.011 | |
| 1536 1413 opls_140 95 ALA HB1 492 0.06 1.008 | |
| 1537 1414 opls_140 95 ALA HB2 492 0.06 1.008 | |
| 1538 1415 opls_140 95 ALA HB3 492 0.06 1.008 | |
| 1539 1416 opls_235 95 ALA C 493 0.5 12.011 | |
| 1540 1417 opls_236 95 ALA O 493 -0.5 15.9994 ; qtot 4 | |
| 1541 ; residue 96 LYS rtp LYSH q +1.0 | |
| 1542 1418 opls_238 96 LYS N 494 -0.5 14.0067 | |
| 1543 1419 opls_241 96 LYS H 494 0.3 1.008 | |
| 1544 1420 opls_224B 96 LYS CA 494 0.14 12.011 | |
| 1545 1421 opls_140 96 LYS HA 494 0.06 1.008 | |
| 1546 1422 opls_136 96 LYS CB 495 -0.12 12.011 | |
| 1547 1423 opls_140 96 LYS HB1 495 0.06 1.008 | |
| 1548 1424 opls_140 96 LYS HB2 495 0.06 1.008 | |
| 1549 1425 opls_136 96 LYS CG 496 -0.12 12.011 | |
| 1550 1426 opls_140 96 LYS HG1 496 0.06 1.008 | |
| 1551 1427 opls_140 96 LYS HG2 496 0.06 1.008 | |
| 1552 1428 opls_136 96 LYS CD 497 -0.12 12.011 | |
| 1553 1429 opls_140 96 LYS HD1 497 0.06 1.008 | |
| 1554 1430 opls_140 96 LYS HD2 497 0.06 1.008 | |
| 1555 1431 opls_292 96 LYS CE 498 0.19 12.011 | |
| 1556 1432 opls_140 96 LYS HE1 498 0.06 1.008 | |
| 1557 1433 opls_140 96 LYS HE2 498 0.06 1.008 | |
| 1558 1434 opls_287 96 LYS NZ 499 -0.3 14.0067 | |
| 1559 1435 opls_290 96 LYS HZ1 499 0.33 1.008 | |
| 1560 1436 opls_290 96 LYS HZ2 499 0.33 1.008 | |
| 1561 1437 opls_290 96 LYS HZ3 499 0.33 1.008 | |
| 1562 1438 opls_235 96 LYS C 500 0.5 12.011 | |
| 1563 1439 opls_236 96 LYS O 500 -0.5 15.9994 ; qtot 5 | |
| 1564 ; residue 97 LYS rtp LYSH q +1.0 | |
| 1565 1440 opls_238 97 LYS N 501 -0.5 14.0067 | |
| 1566 1441 opls_241 97 LYS H 501 0.3 1.008 | |
| 1567 1442 opls_224B 97 LYS CA 501 0.14 12.011 | |
| 1568 1443 opls_140 97 LYS HA 501 0.06 1.008 | |
| 1569 1444 opls_136 97 LYS CB 502 -0.12 12.011 | |
| 1570 1445 opls_140 97 LYS HB1 502 0.06 1.008 | |
| 1571 1446 opls_140 97 LYS HB2 502 0.06 1.008 | |
| 1572 1447 opls_136 97 LYS CG 503 -0.12 12.011 | |
| 1573 1448 opls_140 97 LYS HG1 503 0.06 1.008 | |
| 1574 1449 opls_140 97 LYS HG2 503 0.06 1.008 | |
| 1575 1450 opls_136 97 LYS CD 504 -0.12 12.011 | |
| 1576 1451 opls_140 97 LYS HD1 504 0.06 1.008 | |
| 1577 1452 opls_140 97 LYS HD2 504 0.06 1.008 | |
| 1578 1453 opls_292 97 LYS CE 505 0.19 12.011 | |
| 1579 1454 opls_140 97 LYS HE1 505 0.06 1.008 | |
| 1580 1455 opls_140 97 LYS HE2 505 0.06 1.008 | |
| 1581 1456 opls_287 97 LYS NZ 506 -0.3 14.0067 | |
| 1582 1457 opls_290 97 LYS HZ1 506 0.33 1.008 | |
| 1583 1458 opls_290 97 LYS HZ2 506 0.33 1.008 | |
| 1584 1459 opls_290 97 LYS HZ3 506 0.33 1.008 | |
| 1585 1460 opls_235 97 LYS C 507 0.5 12.011 | |
| 1586 1461 opls_236 97 LYS O 507 -0.5 15.9994 ; qtot 6 | |
| 1587 ; residue 98 ILE rtp ILE q 0.0 | |
| 1588 1462 opls_238 98 ILE N 508 -0.5 14.0067 | |
| 1589 1463 opls_241 98 ILE H 508 0.3 1.008 | |
| 1590 1464 opls_224B 98 ILE CA 508 0.14 12.011 | |
| 1591 1465 opls_140 98 ILE HA 508 0.06 1.008 | |
| 1592 1466 opls_137 98 ILE CB 509 -0.06 12.011 | |
| 1593 1467 opls_140 98 ILE HB 509 0.06 1.008 | |
| 1594 1468 opls_136 98 ILE CG1 510 -0.12 12.011 | |
| 1595 1469 opls_140 98 ILE HG11 510 0.06 1.008 | |
| 1596 1470 opls_140 98 ILE HG12 510 0.06 1.008 | |
| 1597 1471 opls_135 98 ILE CG2 511 -0.18 12.011 | |
| 1598 1472 opls_140 98 ILE HG21 511 0.06 1.008 | |
| 1599 1473 opls_140 98 ILE HG22 511 0.06 1.008 | |
| 1600 1474 opls_140 98 ILE HG23 511 0.06 1.008 | |
| 1601 1475 opls_135 98 ILE CD 512 -0.18 12.011 | |
| 1602 1476 opls_140 98 ILE HD1 512 0.06 1.008 | |
| 1603 1477 opls_140 98 ILE HD2 512 0.06 1.008 | |
| 1604 1478 opls_140 98 ILE HD3 512 0.06 1.008 | |
| 1605 1479 opls_235 98 ILE C 513 0.5 12.011 | |
| 1606 1480 opls_236 98 ILE O 513 -0.5 15.9994 ; qtot 6 | |
| 1607 ; residue 99 VAL rtp VAL q 0.0 | |
| 1608 1481 opls_238 99 VAL N 514 -0.5 14.0067 | |
| 1609 1482 opls_241 99 VAL H 514 0.3 1.008 | |
| 1610 1483 opls_224B 99 VAL CA 514 0.14 12.011 | |
| 1611 1484 opls_140 99 VAL HA 514 0.06 1.008 | |
| 1612 1485 opls_137 99 VAL CB 515 -0.06 12.011 | |
| 1613 1486 opls_140 99 VAL HB 515 0.06 1.008 | |
| 1614 1487 opls_135 99 VAL CG1 516 -0.18 12.011 | |
| 1615 1488 opls_140 99 VAL HG11 516 0.06 1.008 | |
| 1616 1489 opls_140 99 VAL HG12 516 0.06 1.008 | |
| 1617 1490 opls_140 99 VAL HG13 516 0.06 1.008 | |
| 1618 1491 opls_135 99 VAL CG2 517 -0.18 12.011 | |
| 1619 1492 opls_140 99 VAL HG21 517 0.06 1.008 | |
| 1620 1493 opls_140 99 VAL HG22 517 0.06 1.008 | |
| 1621 1494 opls_140 99 VAL HG23 517 0.06 1.008 | |
| 1622 1495 opls_235 99 VAL C 518 0.5 12.011 | |
| 1623 1496 opls_236 99 VAL O 518 -0.5 15.9994 ; qtot 6 | |
| 1624 ; residue 100 SER rtp SER q 0.0 | |
| 1625 1497 opls_238 100 SER N 519 -0.5 14.0067 | |
| 1626 1498 opls_241 100 SER H 519 0.3 1.008 | |
| 1627 1499 opls_224B 100 SER CA 519 0.14 12.011 | |
| 1628 1500 opls_140 100 SER HA 519 0.06 1.008 | |
| 1629 1501 opls_157 100 SER CB 520 0.145 12.011 | |
| 1630 1502 opls_140 100 SER HB1 520 0.06 1.008 | |
| 1631 1503 opls_140 100 SER HB2 520 0.06 1.008 | |
| 1632 1504 opls_154 100 SER OG 521 -0.683 15.9994 | |
| 1633 1505 opls_155 100 SER HG 521 0.418 1.008 | |
| 1634 1506 opls_235 100 SER C 522 0.5 12.011 | |
| 1635 1507 opls_236 100 SER O 522 -0.5 15.9994 ; qtot 6 | |
| 1636 ; residue 101 ASP rtp ASP q -1.0 | |
| 1637 1508 opls_238 101 ASP N 523 -0.5 14.0067 | |
| 1638 1509 opls_241 101 ASP H 523 0.3 1.008 | |
| 1639 1510 opls_224B 101 ASP CA 523 0.14 12.011 | |
| 1640 1511 opls_140 101 ASP HA 523 0.06 1.008 | |
| 1641 1512 opls_274 101 ASP CB 524 -0.22 12.011 | |
| 1642 1513 opls_140 101 ASP HB1 524 0.06 1.008 | |
| 1643 1514 opls_140 101 ASP HB2 524 0.06 1.008 | |
| 1644 1515 opls_271 101 ASP CG 525 0.7 12.011 | |
| 1645 1516 opls_272 101 ASP OD1 525 -0.8 15.9994 | |
| 1646 1517 opls_272 101 ASP OD2 525 -0.8 15.9994 | |
| 1647 1518 opls_235 101 ASP C 526 0.5 12.011 | |
| 1648 1519 opls_236 101 ASP O 526 -0.5 15.9994 ; qtot 5 | |
| 1649 ; residue 102 GLY rtp GLY q 0.0 | |
| 1650 1520 opls_238 102 GLY N 527 -0.5 14.0067 | |
| 1651 1521 opls_241 102 GLY H 527 0.3 1.008 | |
| 1652 1522 opls_223B 102 GLY CA 527 0.08 12.011 | |
| 1653 1523 opls_140 102 GLY HA1 527 0.06 1.008 | |
| 1654 1524 opls_140 102 GLY HA2 527 0.06 1.008 | |
| 1655 1525 opls_235 102 GLY C 528 0.5 12.011 | |
| 1656 1526 opls_236 102 GLY O 528 -0.5 15.9994 ; qtot 5 | |
| 1657 ; residue 103 ASN rtp ASN q 0.0 | |
| 1658 1527 opls_238 103 ASN N 529 -0.5 14.0067 | |
| 1659 1528 opls_241 103 ASN H 529 0.3 1.008 | |
| 1660 1529 opls_224B 103 ASN CA 530 0.14 12.011 | |
| 1661 1530 opls_140 103 ASN HA 530 0.06 1.008 | |
| 1662 1531 opls_136 103 ASN CB 531 -0.12 12.011 | |
| 1663 1532 opls_140 103 ASN HB1 531 0.06 1.008 | |
| 1664 1533 opls_140 103 ASN HB2 531 0.06 1.008 | |
| 1665 1534 opls_235 103 ASN CG 532 0.5 12.011 | |
| 1666 1535 opls_236 103 ASN OD1 532 -0.5 15.9994 | |
| 1667 1536 opls_237 103 ASN ND2 533 -0.76 14.0067 | |
| 1668 1537 opls_240 103 ASN HD21 533 0.38 1.008 | |
| 1669 1538 opls_240 103 ASN HD22 533 0.38 1.008 | |
| 1670 1539 opls_235 103 ASN C 534 0.5 12.011 | |
| 1671 1540 opls_236 103 ASN O 534 -0.5 15.9994 ; qtot 5 | |
| 1672 ; residue 104 GLY rtp GLY q 0.0 | |
| 1673 1541 opls_238 104 GLY N 535 -0.5 14.0067 | |
| 1674 1542 opls_241 104 GLY H 535 0.3 1.008 | |
| 1675 1543 opls_223B 104 GLY CA 535 0.08 12.011 | |
| 1676 1544 opls_140 104 GLY HA1 535 0.06 1.008 | |
| 1677 1545 opls_140 104 GLY HA2 535 0.06 1.008 | |
| 1678 1546 opls_235 104 GLY C 536 0.5 12.011 | |
| 1679 1547 opls_236 104 GLY O 536 -0.5 15.9994 ; qtot 5 | |
| 1680 ; residue 105 MET rtp MET q 0.0 | |
| 1681 1548 opls_238 105 MET N 537 -0.5 14.0067 | |
| 1682 1549 opls_241 105 MET H 537 0.3 1.008 | |
| 1683 1550 opls_224B 105 MET CA 537 0.14 12.011 | |
| 1684 1551 opls_140 105 MET HA 537 0.06 1.008 | |
| 1685 1552 opls_136 105 MET CB 538 -0.12 12.011 | |
| 1686 1553 opls_140 105 MET HB1 538 0.06 1.008 | |
| 1687 1554 opls_140 105 MET HB2 538 0.06 1.008 | |
| 1688 1555 opls_210 105 MET CG 539 0.048 12.011 | |
| 1689 1556 opls_140 105 MET HG1 539 0.06 1.008 | |
| 1690 1557 opls_140 105 MET HG2 539 0.06 1.008 | |
| 1691 1558 opls_202 105 MET SD 540 -0.335 32.06 | |
| 1692 1559 opls_209 105 MET CE 541 -0.013 12.011 | |
| 1693 1560 opls_140 105 MET HE1 541 0.06 1.008 | |
| 1694 1561 opls_140 105 MET HE2 541 0.06 1.008 | |
| 1695 1562 opls_140 105 MET HE3 541 0.06 1.008 | |
| 1696 1563 opls_235 105 MET C 542 0.5 12.011 | |
| 1697 1564 opls_236 105 MET O 542 -0.5 15.9994 ; qtot 5 | |
| 1698 ; residue 106 ASN rtp ASN q 0.0 | |
| 1699 1565 opls_238 106 ASN N 543 -0.5 14.0067 | |
| 1700 1566 opls_241 106 ASN H 543 0.3 1.008 | |
| 1701 1567 opls_224B 106 ASN CA 544 0.14 12.011 | |
| 1702 1568 opls_140 106 ASN HA 544 0.06 1.008 | |
| 1703 1569 opls_136 106 ASN CB 545 -0.12 12.011 | |
| 1704 1570 opls_140 106 ASN HB1 545 0.06 1.008 | |
| 1705 1571 opls_140 106 ASN HB2 545 0.06 1.008 | |
| 1706 1572 opls_235 106 ASN CG 546 0.5 12.011 | |
| 1707 1573 opls_236 106 ASN OD1 546 -0.5 15.9994 | |
| 1708 1574 opls_237 106 ASN ND2 547 -0.76 14.0067 | |
| 1709 1575 opls_240 106 ASN HD21 547 0.38 1.008 | |
| 1710 1576 opls_240 106 ASN HD22 547 0.38 1.008 | |
| 1711 1577 opls_235 106 ASN C 548 0.5 12.011 | |
| 1712 1578 opls_236 106 ASN O 548 -0.5 15.9994 ; qtot 5 | |
| 1713 ; residue 107 ALA rtp ALA q 0.0 | |
| 1714 1579 opls_238 107 ALA N 549 -0.5 14.0067 | |
| 1715 1580 opls_241 107 ALA H 549 0.3 1.008 | |
| 1716 1581 opls_224B 107 ALA CA 549 0.14 12.011 | |
| 1717 1582 opls_140 107 ALA HA 549 0.06 1.008 | |
| 1718 1583 opls_135 107 ALA CB 550 -0.18 12.011 | |
| 1719 1584 opls_140 107 ALA HB1 550 0.06 1.008 | |
| 1720 1585 opls_140 107 ALA HB2 550 0.06 1.008 | |
| 1721 1586 opls_140 107 ALA HB3 550 0.06 1.008 | |
| 1722 1587 opls_235 107 ALA C 551 0.5 12.011 | |
| 1723 1588 opls_236 107 ALA O 551 -0.5 15.9994 ; qtot 5 | |
| 1724 ; residue 108 TRP rtp TRP q 0.0 | |
| 1725 1589 opls_238 108 TRP N 552 -0.5 14.0067 | |
| 1726 1590 opls_241 108 TRP H 552 0.3 1.008 | |
| 1727 1591 opls_224B 108 TRP CA 552 0.14 12.011 | |
| 1728 1592 opls_140 108 TRP HA 552 0.06 1.008 | |
| 1729 1593 opls_136 108 TRP CB 553 -0.12 12.011 | |
| 1730 1594 opls_140 108 TRP HB1 553 0.06 1.008 | |
| 1731 1595 opls_140 108 TRP HB2 553 0.06 1.008 | |
| 1732 1596 opls_500 108 TRP CG 554 0.075 12.011 | |
| 1733 1597 opls_514 108 TRP CD1 555 -0.115 12.011 | |
| 1734 1598 opls_146 108 TRP HD1 555 0.115 1.008 | |
| 1735 1599 opls_501 108 TRP CD2 556 -0.055 12.011 | |
| 1736 1600 opls_503 108 TRP NE1 557 -0.57 14.0067 | |
| 1737 1601 opls_504 108 TRP HE1 557 0.42 1.008 | |
| 1738 1602 opls_502 108 TRP CE2 557 0.13 12.011 | |
| 1739 1603 opls_145 108 TRP CE3 558 -0.115 12.011 | |
| 1740 1604 opls_146 108 TRP HE3 558 0.115 1.008 | |
| 1741 1605 opls_145 108 TRP CZ2 559 -0.115 12.011 | |
| 1742 1606 opls_146 108 TRP HZ2 559 0.115 1.008 | |
| 1743 1607 opls_145 108 TRP CZ3 560 -0.115 12.011 | |
| 1744 1608 opls_146 108 TRP HZ3 560 0.115 1.008 | |
| 1745 1609 opls_145 108 TRP CH2 561 -0.115 12.011 | |
| 1746 1610 opls_146 108 TRP HH2 561 0.115 1.008 | |
| 1747 1611 opls_235 108 TRP C 562 0.5 12.011 | |
| 1748 1612 opls_236 108 TRP O 562 -0.5 15.9994 ; qtot 5 | |
| 1749 ; residue 109 VAL rtp VAL q 0.0 | |
| 1750 1613 opls_238 109 VAL N 563 -0.5 14.0067 | |
| 1751 1614 opls_241 109 VAL H 563 0.3 1.008 | |
| 1752 1615 opls_224B 109 VAL CA 563 0.14 12.011 | |
| 1753 1616 opls_140 109 VAL HA 563 0.06 1.008 | |
| 1754 1617 opls_137 109 VAL CB 564 -0.06 12.011 | |
| 1755 1618 opls_140 109 VAL HB 564 0.06 1.008 | |
| 1756 1619 opls_135 109 VAL CG1 565 -0.18 12.011 | |
| 1757 1620 opls_140 109 VAL HG11 565 0.06 1.008 | |
| 1758 1621 opls_140 109 VAL HG12 565 0.06 1.008 | |
| 1759 1622 opls_140 109 VAL HG13 565 0.06 1.008 | |
| 1760 1623 opls_135 109 VAL CG2 566 -0.18 12.011 | |
| 1761 1624 opls_140 109 VAL HG21 566 0.06 1.008 | |
| 1762 1625 opls_140 109 VAL HG22 566 0.06 1.008 | |
| 1763 1626 opls_140 109 VAL HG23 566 0.06 1.008 | |
| 1764 1627 opls_235 109 VAL C 567 0.5 12.011 | |
| 1765 1628 opls_236 109 VAL O 567 -0.5 15.9994 ; qtot 5 | |
| 1766 ; residue 110 ALA rtp ALA q 0.0 | |
| 1767 1629 opls_238 110 ALA N 568 -0.5 14.0067 | |
| 1768 1630 opls_241 110 ALA H 568 0.3 1.008 | |
| 1769 1631 opls_224B 110 ALA CA 568 0.14 12.011 | |
| 1770 1632 opls_140 110 ALA HA 568 0.06 1.008 | |
| 1771 1633 opls_135 110 ALA CB 569 -0.18 12.011 | |
| 1772 1634 opls_140 110 ALA HB1 569 0.06 1.008 | |
| 1773 1635 opls_140 110 ALA HB2 569 0.06 1.008 | |
| 1774 1636 opls_140 110 ALA HB3 569 0.06 1.008 | |
| 1775 1637 opls_235 110 ALA C 570 0.5 12.011 | |
| 1776 1638 opls_236 110 ALA O 570 -0.5 15.9994 ; qtot 5 | |
| 1777 ; residue 111 TRP rtp TRP q 0.0 | |
| 1778 1639 opls_238 111 TRP N 571 -0.5 14.0067 | |
| 1779 1640 opls_241 111 TRP H 571 0.3 1.008 | |
| 1780 1641 opls_224B 111 TRP CA 571 0.14 12.011 | |
| 1781 1642 opls_140 111 TRP HA 571 0.06 1.008 | |
| 1782 1643 opls_136 111 TRP CB 572 -0.12 12.011 | |
| 1783 1644 opls_140 111 TRP HB1 572 0.06 1.008 | |
| 1784 1645 opls_140 111 TRP HB2 572 0.06 1.008 | |
| 1785 1646 opls_500 111 TRP CG 573 0.075 12.011 | |
| 1786 1647 opls_514 111 TRP CD1 574 -0.115 12.011 | |
| 1787 1648 opls_146 111 TRP HD1 574 0.115 1.008 | |
| 1788 1649 opls_501 111 TRP CD2 575 -0.055 12.011 | |
| 1789 1650 opls_503 111 TRP NE1 576 -0.57 14.0067 | |
| 1790 1651 opls_504 111 TRP HE1 576 0.42 1.008 | |
| 1791 1652 opls_502 111 TRP CE2 576 0.13 12.011 | |
| 1792 1653 opls_145 111 TRP CE3 577 -0.115 12.011 | |
| 1793 1654 opls_146 111 TRP HE3 577 0.115 1.008 | |
| 1794 1655 opls_145 111 TRP CZ2 578 -0.115 12.011 | |
| 1795 1656 opls_146 111 TRP HZ2 578 0.115 1.008 | |
| 1796 1657 opls_145 111 TRP CZ3 579 -0.115 12.011 | |
| 1797 1658 opls_146 111 TRP HZ3 579 0.115 1.008 | |
| 1798 1659 opls_145 111 TRP CH2 580 -0.115 12.011 | |
| 1799 1660 opls_146 111 TRP HH2 580 0.115 1.008 | |
| 1800 1661 opls_235 111 TRP C 581 0.5 12.011 | |
| 1801 1662 opls_236 111 TRP O 581 -0.5 15.9994 ; qtot 5 | |
| 1802 ; residue 112 ARG rtp ARG q +1.0 | |
| 1803 1663 opls_238 112 ARG N 582 -0.5 14.0067 | |
| 1804 1664 opls_241 112 ARG H 582 0.3 1.008 | |
| 1805 1665 opls_224B 112 ARG CA 582 0.14 12.011 | |
| 1806 1666 opls_140 112 ARG HA 582 0.06 1.008 | |
| 1807 1667 opls_136 112 ARG CB 583 -0.12 12.011 | |
| 1808 1668 opls_140 112 ARG HB1 583 0.06 1.008 | |
| 1809 1669 opls_140 112 ARG HB2 583 0.06 1.008 | |
| 1810 1670 opls_308 112 ARG CG 584 -0.05 12.011 | |
| 1811 1671 opls_140 112 ARG HG1 584 0.06 1.008 | |
| 1812 1672 opls_140 112 ARG HG2 584 0.06 1.008 | |
| 1813 1673 opls_307 112 ARG CD 585 0.19 12.011 | |
| 1814 1674 opls_140 112 ARG HD1 585 0.06 1.008 | |
| 1815 1675 opls_140 112 ARG HD2 585 0.06 1.008 | |
| 1816 1676 opls_303 112 ARG NE 586 -0.7 14.0067 | |
| 1817 1677 opls_304 112 ARG HE 586 0.44 1.008 | |
| 1818 1678 opls_302 112 ARG CZ 586 0.64 12.011 | |
| 1819 1679 opls_300 112 ARG NH1 587 -0.8 14.0067 | |
| 1820 1680 opls_301 112 ARG HH11 587 0.46 1.008 | |
| 1821 1681 opls_301 112 ARG HH12 587 0.46 1.008 | |
| 1822 1682 opls_300 112 ARG NH2 588 -0.8 14.0067 | |
| 1823 1683 opls_301 112 ARG HH21 588 0.46 1.008 | |
| 1824 1684 opls_301 112 ARG HH22 588 0.46 1.008 | |
| 1825 1685 opls_235 112 ARG C 589 0.5 12.011 | |
| 1826 1686 opls_236 112 ARG O 589 -0.5 15.9994 ; qtot 6 | |
| 1827 ; residue 113 ASN rtp ASN q 0.0 | |
| 1828 1687 opls_238 113 ASN N 590 -0.5 14.0067 | |
| 1829 1688 opls_241 113 ASN H 590 0.3 1.008 | |
| 1830 1689 opls_224B 113 ASN CA 591 0.14 12.011 | |
| 1831 1690 opls_140 113 ASN HA 591 0.06 1.008 | |
| 1832 1691 opls_136 113 ASN CB 592 -0.12 12.011 | |
| 1833 1692 opls_140 113 ASN HB1 592 0.06 1.008 | |
| 1834 1693 opls_140 113 ASN HB2 592 0.06 1.008 | |
| 1835 1694 opls_235 113 ASN CG 593 0.5 12.011 | |
| 1836 1695 opls_236 113 ASN OD1 593 -0.5 15.9994 | |
| 1837 1696 opls_237 113 ASN ND2 594 -0.76 14.0067 | |
| 1838 1697 opls_240 113 ASN HD21 594 0.38 1.008 | |
| 1839 1698 opls_240 113 ASN HD22 594 0.38 1.008 | |
| 1840 1699 opls_235 113 ASN C 595 0.5 12.011 | |
| 1841 1700 opls_236 113 ASN O 595 -0.5 15.9994 ; qtot 6 | |
| 1842 ; residue 114 ARG rtp ARG q +1.0 | |
| 1843 1701 opls_238 114 ARG N 596 -0.5 14.0067 | |
| 1844 1702 opls_241 114 ARG H 596 0.3 1.008 | |
| 1845 1703 opls_224B 114 ARG CA 596 0.14 12.011 | |
| 1846 1704 opls_140 114 ARG HA 596 0.06 1.008 | |
| 1847 1705 opls_136 114 ARG CB 597 -0.12 12.011 | |
| 1848 1706 opls_140 114 ARG HB1 597 0.06 1.008 | |
| 1849 1707 opls_140 114 ARG HB2 597 0.06 1.008 | |
| 1850 1708 opls_308 114 ARG CG 598 -0.05 12.011 | |
| 1851 1709 opls_140 114 ARG HG1 598 0.06 1.008 | |
| 1852 1710 opls_140 114 ARG HG2 598 0.06 1.008 | |
| 1853 1711 opls_307 114 ARG CD 599 0.19 12.011 | |
| 1854 1712 opls_140 114 ARG HD1 599 0.06 1.008 | |
| 1855 1713 opls_140 114 ARG HD2 599 0.06 1.008 | |
| 1856 1714 opls_303 114 ARG NE 600 -0.7 14.0067 | |
| 1857 1715 opls_304 114 ARG HE 600 0.44 1.008 | |
| 1858 1716 opls_302 114 ARG CZ 600 0.64 12.011 | |
| 1859 1717 opls_300 114 ARG NH1 601 -0.8 14.0067 | |
| 1860 1718 opls_301 114 ARG HH11 601 0.46 1.008 | |
| 1861 1719 opls_301 114 ARG HH12 601 0.46 1.008 | |
| 1862 1720 opls_300 114 ARG NH2 602 -0.8 14.0067 | |
| 1863 1721 opls_301 114 ARG HH21 602 0.46 1.008 | |
| 1864 1722 opls_301 114 ARG HH22 602 0.46 1.008 | |
| 1865 1723 opls_235 114 ARG C 603 0.5 12.011 | |
| 1866 1724 opls_236 114 ARG O 603 -0.5 15.9994 ; qtot 7 | |
| 1867 ; residue 115 CYS rtp CYS2 q 0.0 | |
| 1868 1725 opls_238 115 CYS N 604 -0.5 14.0067 | |
| 1869 1726 opls_241 115 CYS H 604 0.3 1.008 | |
| 1870 1727 opls_224B 115 CYS CA 604 0.14 12.011 | |
| 1871 1728 opls_140 115 CYS HA 604 0.06 1.008 | |
| 1872 1729 opls_214 115 CYS CB 605 0.0975 12.011 | |
| 1873 1730 opls_140 115 CYS HB1 605 0.06 1.008 | |
| 1874 1731 opls_140 115 CYS HB2 605 0.06 1.008 | |
| 1875 1732 opls_203 115 CYS SG 605 -0.2175 32.06 | |
| 1876 1733 opls_235 115 CYS C 606 0.5 12.011 | |
| 1877 1734 opls_236 115 CYS O 606 -0.5 15.9994 ; qtot 7 | |
| 1878 ; residue 116 LYS rtp LYSH q +1.0 | |
| 1879 1735 opls_238 116 LYS N 607 -0.5 14.0067 | |
| 1880 1736 opls_241 116 LYS H 607 0.3 1.008 | |
| 1881 1737 opls_224B 116 LYS CA 607 0.14 12.011 | |
| 1882 1738 opls_140 116 LYS HA 607 0.06 1.008 | |
| 1883 1739 opls_136 116 LYS CB 608 -0.12 12.011 | |
| 1884 1740 opls_140 116 LYS HB1 608 0.06 1.008 | |
| 1885 1741 opls_140 116 LYS HB2 608 0.06 1.008 | |
| 1886 1742 opls_136 116 LYS CG 609 -0.12 12.011 | |
| 1887 1743 opls_140 116 LYS HG1 609 0.06 1.008 | |
| 1888 1744 opls_140 116 LYS HG2 609 0.06 1.008 | |
| 1889 1745 opls_136 116 LYS CD 610 -0.12 12.011 | |
| 1890 1746 opls_140 116 LYS HD1 610 0.06 1.008 | |
| 1891 1747 opls_140 116 LYS HD2 610 0.06 1.008 | |
| 1892 1748 opls_292 116 LYS CE 611 0.19 12.011 | |
| 1893 1749 opls_140 116 LYS HE1 611 0.06 1.008 | |
| 1894 1750 opls_140 116 LYS HE2 611 0.06 1.008 | |
| 1895 1751 opls_287 116 LYS NZ 612 -0.3 14.0067 | |
| 1896 1752 opls_290 116 LYS HZ1 612 0.33 1.008 | |
| 1897 1753 opls_290 116 LYS HZ2 612 0.33 1.008 | |
| 1898 1754 opls_290 116 LYS HZ3 612 0.33 1.008 | |
| 1899 1755 opls_235 116 LYS C 613 0.5 12.011 | |
| 1900 1756 opls_236 116 LYS O 613 -0.5 15.9994 ; qtot 8 | |
| 1901 ; residue 117 GLY rtp GLY q 0.0 | |
| 1902 1757 opls_238 117 GLY N 614 -0.5 14.0067 | |
| 1903 1758 opls_241 117 GLY H 614 0.3 1.008 | |
| 1904 1759 opls_223B 117 GLY CA 614 0.08 12.011 | |
| 1905 1760 opls_140 117 GLY HA1 614 0.06 1.008 | |
| 1906 1761 opls_140 117 GLY HA2 614 0.06 1.008 | |
| 1907 1762 opls_235 117 GLY C 615 0.5 12.011 | |
| 1908 1763 opls_236 117 GLY O 615 -0.5 15.9994 ; qtot 8 | |
| 1909 ; residue 118 THR rtp THR q 0.0 | |
| 1910 1764 opls_238 118 THR N 616 -0.5 14.0067 | |
| 1911 1765 opls_241 118 THR H 616 0.3 1.008 | |
| 1912 1766 opls_224B 118 THR CA 616 0.14 12.011 | |
| 1913 1767 opls_140 118 THR HA 616 0.06 1.008 | |
| 1914 1768 opls_158 118 THR CB 617 0.205 12.011 | |
| 1915 1769 opls_140 118 THR HB 617 0.06 1.008 | |
| 1916 1770 opls_154 118 THR OG1 617 -0.683 15.9994 | |
| 1917 1771 opls_155 118 THR HG1 617 0.418 1.008 | |
| 1918 1772 opls_135 118 THR CG2 618 -0.18 12.011 | |
| 1919 1773 opls_140 118 THR HG21 618 0.06 1.008 | |
| 1920 1774 opls_140 118 THR HG22 618 0.06 1.008 | |
| 1921 1775 opls_140 118 THR HG23 618 0.06 1.008 | |
| 1922 1776 opls_235 118 THR C 619 0.5 12.011 | |
| 1923 1777 opls_236 118 THR O 619 -0.5 15.9994 ; qtot 8 | |
| 1924 ; residue 119 ASP rtp ASP q -1.0 | |
| 1925 1778 opls_238 119 ASP N 620 -0.5 14.0067 | |
| 1926 1779 opls_241 119 ASP H 620 0.3 1.008 | |
| 1927 1780 opls_224B 119 ASP CA 620 0.14 12.011 | |
| 1928 1781 opls_140 119 ASP HA 620 0.06 1.008 | |
| 1929 1782 opls_274 119 ASP CB 621 -0.22 12.011 | |
| 1930 1783 opls_140 119 ASP HB1 621 0.06 1.008 | |
| 1931 1784 opls_140 119 ASP HB2 621 0.06 1.008 | |
| 1932 1785 opls_271 119 ASP CG 622 0.7 12.011 | |
| 1933 1786 opls_272 119 ASP OD1 622 -0.8 15.9994 | |
| 1934 1787 opls_272 119 ASP OD2 622 -0.8 15.9994 | |
| 1935 1788 opls_235 119 ASP C 623 0.5 12.011 | |
| 1936 1789 opls_236 119 ASP O 623 -0.5 15.9994 ; qtot 7 | |
| 1937 ; residue 120 VAL rtp VAL q 0.0 | |
| 1938 1790 opls_238 120 VAL N 624 -0.5 14.0067 | |
| 1939 1791 opls_241 120 VAL H 624 0.3 1.008 | |
| 1940 1792 opls_224B 120 VAL CA 624 0.14 12.011 | |
| 1941 1793 opls_140 120 VAL HA 624 0.06 1.008 | |
| 1942 1794 opls_137 120 VAL CB 625 -0.06 12.011 | |
| 1943 1795 opls_140 120 VAL HB 625 0.06 1.008 | |
| 1944 1796 opls_135 120 VAL CG1 626 -0.18 12.011 | |
| 1945 1797 opls_140 120 VAL HG11 626 0.06 1.008 | |
| 1946 1798 opls_140 120 VAL HG12 626 0.06 1.008 | |
| 1947 1799 opls_140 120 VAL HG13 626 0.06 1.008 | |
| 1948 1800 opls_135 120 VAL CG2 627 -0.18 12.011 | |
| 1949 1801 opls_140 120 VAL HG21 627 0.06 1.008 | |
| 1950 1802 opls_140 120 VAL HG22 627 0.06 1.008 | |
| 1951 1803 opls_140 120 VAL HG23 627 0.06 1.008 | |
| 1952 1804 opls_235 120 VAL C 628 0.5 12.011 | |
| 1953 1805 opls_236 120 VAL O 628 -0.5 15.9994 ; qtot 7 | |
| 1954 ; residue 121 GLN rtp GLN q 0.0 | |
| 1955 1806 opls_238 121 GLN N 629 -0.5 14.0067 | |
| 1956 1807 opls_241 121 GLN H 629 0.3 1.008 | |
| 1957 1808 opls_224B 121 GLN CA 630 0.14 12.011 | |
| 1958 1809 opls_140 121 GLN HA 630 0.06 1.008 | |
| 1959 1810 opls_136 121 GLN CB 631 -0.12 12.011 | |
| 1960 1811 opls_140 121 GLN HB1 631 0.06 1.008 | |
| 1961 1812 opls_140 121 GLN HB2 631 0.06 1.008 | |
| 1962 1813 opls_136 121 GLN CG 632 -0.12 12.011 | |
| 1963 1814 opls_140 121 GLN HG1 632 0.06 1.008 | |
| 1964 1815 opls_140 121 GLN HG2 632 0.06 1.008 | |
| 1965 1816 opls_235 121 GLN CD 633 0.5 12.011 | |
| 1966 1817 opls_236 121 GLN OE1 633 -0.5 15.9994 | |
| 1967 1818 opls_237 121 GLN NE2 634 -0.76 14.0067 | |
| 1968 1819 opls_240 121 GLN HE21 634 0.38 1.008 | |
| 1969 1820 opls_240 121 GLN HE22 634 0.38 1.008 | |
| 1970 1821 opls_235 121 GLN C 635 0.5 12.011 | |
| 1971 1822 opls_236 121 GLN O 635 -0.5 15.9994 ; qtot 7 | |
| 1972 ; residue 122 ALA rtp ALA q 0.0 | |
| 1973 1823 opls_238 122 ALA N 636 -0.5 14.0067 | |
| 1974 1824 opls_241 122 ALA H 636 0.3 1.008 | |
| 1975 1825 opls_224B 122 ALA CA 636 0.14 12.011 | |
| 1976 1826 opls_140 122 ALA HA 636 0.06 1.008 | |
| 1977 1827 opls_135 122 ALA CB 637 -0.18 12.011 | |
| 1978 1828 opls_140 122 ALA HB1 637 0.06 1.008 | |
| 1979 1829 opls_140 122 ALA HB2 637 0.06 1.008 | |
| 1980 1830 opls_140 122 ALA HB3 637 0.06 1.008 | |
| 1981 1831 opls_235 122 ALA C 638 0.5 12.011 | |
| 1982 1832 opls_236 122 ALA O 638 -0.5 15.9994 ; qtot 7 | |
| 1983 ; residue 123 TRP rtp TRP q 0.0 | |
| 1984 1833 opls_238 123 TRP N 639 -0.5 14.0067 | |
| 1985 1834 opls_241 123 TRP H 639 0.3 1.008 | |
| 1986 1835 opls_224B 123 TRP CA 639 0.14 12.011 | |
| 1987 1836 opls_140 123 TRP HA 639 0.06 1.008 | |
| 1988 1837 opls_136 123 TRP CB 640 -0.12 12.011 | |
| 1989 1838 opls_140 123 TRP HB1 640 0.06 1.008 | |
| 1990 1839 opls_140 123 TRP HB2 640 0.06 1.008 | |
| 1991 1840 opls_500 123 TRP CG 641 0.075 12.011 | |
| 1992 1841 opls_514 123 TRP CD1 642 -0.115 12.011 | |
| 1993 1842 opls_146 123 TRP HD1 642 0.115 1.008 | |
| 1994 1843 opls_501 123 TRP CD2 643 -0.055 12.011 | |
| 1995 1844 opls_503 123 TRP NE1 644 -0.57 14.0067 | |
| 1996 1845 opls_504 123 TRP HE1 644 0.42 1.008 | |
| 1997 1846 opls_502 123 TRP CE2 644 0.13 12.011 | |
| 1998 1847 opls_145 123 TRP CE3 645 -0.115 12.011 | |
| 1999 1848 opls_146 123 TRP HE3 645 0.115 1.008 | |
| 2000 1849 opls_145 123 TRP CZ2 646 -0.115 12.011 | |
| 2001 1850 opls_146 123 TRP HZ2 646 0.115 1.008 | |
| 2002 1851 opls_145 123 TRP CZ3 647 -0.115 12.011 | |
| 2003 1852 opls_146 123 TRP HZ3 647 0.115 1.008 | |
| 2004 1853 opls_145 123 TRP CH2 648 -0.115 12.011 | |
| 2005 1854 opls_146 123 TRP HH2 648 0.115 1.008 | |
| 2006 1855 opls_235 123 TRP C 649 0.5 12.011 | |
| 2007 1856 opls_236 123 TRP O 649 -0.5 15.9994 ; qtot 7 | |
| 2008 ; residue 124 ILE rtp ILE q 0.0 | |
| 2009 1857 opls_238 124 ILE N 650 -0.5 14.0067 | |
| 2010 1858 opls_241 124 ILE H 650 0.3 1.008 | |
| 2011 1859 opls_224B 124 ILE CA 650 0.14 12.011 | |
| 2012 1860 opls_140 124 ILE HA 650 0.06 1.008 | |
| 2013 1861 opls_137 124 ILE CB 651 -0.06 12.011 | |
| 2014 1862 opls_140 124 ILE HB 651 0.06 1.008 | |
| 2015 1863 opls_136 124 ILE CG1 652 -0.12 12.011 | |
| 2016 1864 opls_140 124 ILE HG11 652 0.06 1.008 | |
| 2017 1865 opls_140 124 ILE HG12 652 0.06 1.008 | |
| 2018 1866 opls_135 124 ILE CG2 653 -0.18 12.011 | |
| 2019 1867 opls_140 124 ILE HG21 653 0.06 1.008 | |
| 2020 1868 opls_140 124 ILE HG22 653 0.06 1.008 | |
| 2021 1869 opls_140 124 ILE HG23 653 0.06 1.008 | |
| 2022 1870 opls_135 124 ILE CD 654 -0.18 12.011 | |
| 2023 1871 opls_140 124 ILE HD1 654 0.06 1.008 | |
| 2024 1872 opls_140 124 ILE HD2 654 0.06 1.008 | |
| 2025 1873 opls_140 124 ILE HD3 654 0.06 1.008 | |
| 2026 1874 opls_235 124 ILE C 655 0.5 12.011 | |
| 2027 1875 opls_236 124 ILE O 655 -0.5 15.9994 ; qtot 7 | |
| 2028 ; residue 125 ARG rtp ARG q +1.0 | |
| 2029 1876 opls_238 125 ARG N 656 -0.5 14.0067 | |
| 2030 1877 opls_241 125 ARG H 656 0.3 1.008 | |
| 2031 1878 opls_224B 125 ARG CA 656 0.14 12.011 | |
| 2032 1879 opls_140 125 ARG HA 656 0.06 1.008 | |
| 2033 1880 opls_136 125 ARG CB 657 -0.12 12.011 | |
| 2034 1881 opls_140 125 ARG HB1 657 0.06 1.008 | |
| 2035 1882 opls_140 125 ARG HB2 657 0.06 1.008 | |
| 2036 1883 opls_308 125 ARG CG 658 -0.05 12.011 | |
| 2037 1884 opls_140 125 ARG HG1 658 0.06 1.008 | |
| 2038 1885 opls_140 125 ARG HG2 658 0.06 1.008 | |
| 2039 1886 opls_307 125 ARG CD 659 0.19 12.011 | |
| 2040 1887 opls_140 125 ARG HD1 659 0.06 1.008 | |
| 2041 1888 opls_140 125 ARG HD2 659 0.06 1.008 | |
| 2042 1889 opls_303 125 ARG NE 660 -0.7 14.0067 | |
| 2043 1890 opls_304 125 ARG HE 660 0.44 1.008 | |
| 2044 1891 opls_302 125 ARG CZ 660 0.64 12.011 | |
| 2045 1892 opls_300 125 ARG NH1 661 -0.8 14.0067 | |
| 2046 1893 opls_301 125 ARG HH11 661 0.46 1.008 | |
| 2047 1894 opls_301 125 ARG HH12 661 0.46 1.008 | |
| 2048 1895 opls_300 125 ARG NH2 662 -0.8 14.0067 | |
| 2049 1896 opls_301 125 ARG HH21 662 0.46 1.008 | |
| 2050 1897 opls_301 125 ARG HH22 662 0.46 1.008 | |
| 2051 1898 opls_235 125 ARG C 663 0.5 12.011 | |
| 2052 1899 opls_236 125 ARG O 663 -0.5 15.9994 ; qtot 8 | |
| 2053 ; residue 126 GLY rtp GLY q 0.0 | |
| 2054 1900 opls_238 126 GLY N 664 -0.5 14.0067 | |
| 2055 1901 opls_241 126 GLY H 664 0.3 1.008 | |
| 2056 1902 opls_223B 126 GLY CA 664 0.08 12.011 | |
| 2057 1903 opls_140 126 GLY HA1 664 0.06 1.008 | |
| 2058 1904 opls_140 126 GLY HA2 664 0.06 1.008 | |
| 2059 1905 opls_235 126 GLY C 665 0.5 12.011 | |
| 2060 1906 opls_236 126 GLY O 665 -0.5 15.9994 ; qtot 8 | |
| 2061 ; residue 127 CYS rtp CYS2 q 0.0 | |
| 2062 1907 opls_238 127 CYS N 666 -0.5 14.0067 | |
| 2063 1908 opls_241 127 CYS H 666 0.3 1.008 | |
| 2064 1909 opls_224B 127 CYS CA 666 0.14 12.011 | |
| 2065 1910 opls_140 127 CYS HA 666 0.06 1.008 | |
| 2066 1911 opls_214 127 CYS CB 667 0.0975 12.011 | |
| 2067 1912 opls_140 127 CYS HB1 667 0.06 1.008 | |
| 2068 1913 opls_140 127 CYS HB2 667 0.06 1.008 | |
| 2069 1914 opls_203 127 CYS SG 667 -0.2175 32.06 | |
| 2070 1915 opls_235 127 CYS C 668 0.5 12.011 | |
| 2071 1916 opls_236 127 CYS O 668 -0.5 15.9994 ; qtot 8 | |
| 2072 ; residue 128 ARG rtp ARG q +1.0 | |
| 2073 1917 opls_238 128 ARG N 669 -0.5 14.0067 | |
| 2074 1918 opls_241 128 ARG H 669 0.3 1.008 | |
| 2075 1919 opls_224B 128 ARG CA 669 0.14 12.011 | |
| 2076 1920 opls_140 128 ARG HA 669 0.06 1.008 | |
| 2077 1921 opls_136 128 ARG CB 670 -0.12 12.011 | |
| 2078 1922 opls_140 128 ARG HB1 670 0.06 1.008 | |
| 2079 1923 opls_140 128 ARG HB2 670 0.06 1.008 | |
| 2080 1924 opls_308 128 ARG CG 671 -0.05 12.011 | |
| 2081 1925 opls_140 128 ARG HG1 671 0.06 1.008 | |
| 2082 1926 opls_140 128 ARG HG2 671 0.06 1.008 | |
| 2083 1927 opls_307 128 ARG CD 672 0.19 12.011 | |
| 2084 1928 opls_140 128 ARG HD1 672 0.06 1.008 | |
| 2085 1929 opls_140 128 ARG HD2 672 0.06 1.008 | |
| 2086 1930 opls_303 128 ARG NE 673 -0.7 14.0067 | |
| 2087 1931 opls_304 128 ARG HE 673 0.44 1.008 | |
| 2088 1932 opls_302 128 ARG CZ 673 0.64 12.011 | |
| 2089 1933 opls_300 128 ARG NH1 674 -0.8 14.0067 | |
| 2090 1934 opls_301 128 ARG HH11 674 0.46 1.008 | |
| 2091 1935 opls_301 128 ARG HH12 674 0.46 1.008 | |
| 2092 1936 opls_300 128 ARG NH2 675 -0.8 14.0067 | |
| 2093 1937 opls_301 128 ARG HH21 675 0.46 1.008 | |
| 2094 1938 opls_301 128 ARG HH22 675 0.46 1.008 | |
| 2095 1939 opls_235 128 ARG C 676 0.5 12.011 | |
| 2096 1940 opls_236 128 ARG O 676 -0.5 15.9994 ; qtot 9 | |
| 2097 ; residue 129 LEU rtp LEU q -1.0 | |
| 2098 1941 opls_238 129 LEU N 677 -0.5 14.0067 | |
| 2099 1942 opls_241 129 LEU H 677 0.3 1.008 | |
| 2100 1943 opls_283 129 LEU CA 677 0.04 12.011 | |
| 2101 1944 opls_140 129 LEU HA 677 0.06 1.008 | |
| 2102 1945 opls_136 129 LEU CB 678 -0.12 12.011 | |
| 2103 1946 opls_140 129 LEU HB1 678 0.06 1.008 | |
| 2104 1947 opls_140 129 LEU HB2 678 0.06 1.008 | |
| 2105 1948 opls_137 129 LEU CG 679 -0.06 12.011 | |
| 2106 1949 opls_140 129 LEU HG 679 0.06 1.008 | |
| 2107 1950 opls_135 129 LEU CD1 680 -0.18 12.011 | |
| 2108 1951 opls_140 129 LEU HD11 680 0.06 1.008 | |
| 2109 1952 opls_140 129 LEU HD12 680 0.06 1.008 | |
| 2110 1953 opls_140 129 LEU HD13 680 0.06 1.008 | |
| 2111 1954 opls_135 129 LEU CD2 681 -0.18 12.011 | |
| 2112 1955 opls_140 129 LEU HD21 681 0.06 1.008 | |
| 2113 1956 opls_140 129 LEU HD22 681 0.06 1.008 | |
| 2114 1957 opls_140 129 LEU HD23 681 0.06 1.008 | |
| 2115 1958 opls_271 129 LEU C 682 0.7 12.011 | |
| 2116 1959 opls_272 129 LEU O1 682 -0.8 15.9994 | |
| 2117 1960 opls_272 129 LEU O2 682 -0.8 15.9994 ; qtot 8 | |
| 2118 | 126 |
| 2119 [ bonds ] | 127 [ bonds ] |
| 2120 ; ai aj funct c0 c1 c2 c3 | 128 ; ai aj funct c0 c1 c2 c3 |
| 2121 1 2 1 | 129 1 2 1 |
| 2122 1 3 1 | 130 1 3 1 |
| 2208 84 86 1 | 216 84 86 1 |
| 2209 87 88 1 | 217 87 88 1 |
| 2210 87 89 1 | 218 87 89 1 |
| 2211 90 91 1 | 219 90 91 1 |
| 2212 90 92 1 | 220 90 92 1 |
| 2213 92 93 1 | |
| 2214 92 94 1 | |
| 2215 94 95 1 | |
| 2216 94 96 1 | |
| 2217 94 100 1 | |
| 2218 96 97 1 | |
| 2219 96 98 1 | |
| 2220 96 99 1 | |
| 2221 99 1914 1 | |
| 2222 100 101 1 | |
| 2223 100 102 1 | |
| 2224 102 103 1 | |
| 2225 102 104 1 | |
| 2226 104 105 1 | |
| 2227 104 106 1 | |
| 2228 104 115 1 | |
| 2229 106 107 1 | |
| 2230 106 108 1 | |
| 2231 106 109 1 | |
| 2232 109 110 1 | |
| 2233 109 111 1 | |
| 2234 109 112 1 | |
| 2235 112 113 1 | |
| 2236 112 114 1 | |
| 2237 115 116 1 | |
| 2238 115 117 1 | |
| 2239 117 118 1 | |
| 2240 117 119 1 | |
| 2241 119 120 1 | |
| 2242 119 121 1 | |
| 2243 119 134 1 | |
| 2244 121 122 1 | |
| 2245 121 123 1 | |
| 2246 121 124 1 | |
| 2247 124 125 1 | |
| 2248 124 126 1 | |
| 2249 124 130 1 | |
| 2250 126 127 1 | |
| 2251 126 128 1 | |
| 2252 126 129 1 | |
| 2253 130 131 1 | |
| 2254 130 132 1 | |
| 2255 130 133 1 | |
| 2256 134 135 1 | |
| 2257 134 136 1 | |
| 2258 136 137 1 | |
| 2259 136 138 1 | |
| 2260 138 139 1 | |
| 2261 138 140 1 | |
| 2262 138 144 1 | |
| 2263 140 141 1 | |
| 2264 140 142 1 | |
| 2265 140 143 1 | |
| 2266 144 145 1 | |
| 2267 144 146 1 | |
| 2268 146 147 1 | |
| 2269 146 148 1 | |
| 2270 148 149 1 | |
| 2271 148 150 1 | |
| 2272 148 154 1 | |
| 2273 150 151 1 | |
| 2274 150 152 1 | |
| 2275 150 153 1 | |
| 2276 154 155 1 | |
| 2277 154 156 1 | |
| 2278 156 157 1 | |
| 2279 156 158 1 | |
| 2280 158 159 1 | |
| 2281 158 160 1 | |
| 2282 158 164 1 | |
| 2283 160 161 1 | |
| 2284 160 162 1 | |
| 2285 160 163 1 | |
| 2286 164 165 1 | |
| 2287 164 166 1 | |
| 2288 166 167 1 | |
| 2289 166 168 1 | |
| 2290 168 169 1 | |
| 2291 168 170 1 | |
| 2292 168 181 1 | |
| 2293 170 171 1 | |
| 2294 170 172 1 | |
| 2295 170 173 1 | |
| 2296 173 174 1 | |
| 2297 173 175 1 | |
| 2298 173 176 1 | |
| 2299 176 177 1 | |
| 2300 177 178 1 | |
| 2301 177 179 1 | |
| 2302 177 180 1 | |
| 2303 181 182 1 | |
| 2304 181 183 1 | |
| 2305 183 184 1 | |
| 2306 183 185 1 | |
| 2307 185 186 1 | |
| 2308 185 187 1 | |
| 2309 185 203 1 | |
| 2310 187 188 1 | |
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| 2322 199 200 1 | |
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| 2330 207 209 1 | |
| 2331 207 227 1 | |
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| 2339 215 217 1 | |
| 2340 215 218 1 | |
| 2341 218 219 1 | |
| 2342 218 220 1 | |
| 2343 220 221 1 | |
| 2344 220 224 1 | |
| 2345 221 222 1 | |
| 2346 221 223 1 | |
| 2347 224 225 1 | |
| 2348 224 226 1 | |
| 2349 227 228 1 | |
| 2350 227 229 1 | |
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| 2355 231 244 1 | |
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| 4059 1911 1914 1 | |
| 4060 1915 1916 1 | |
| 4061 1915 1917 1 | |
| 4062 1917 1918 1 | |
| 4063 1917 1919 1 | |
| 4064 1919 1920 1 | |
| 4065 1919 1921 1 | |
| 4066 1919 1939 1 | |
| 4067 1921 1922 1 | |
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| 4078 1932 1933 1 | |
| 4079 1932 1936 1 | |
| 4080 1933 1934 1 | |
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| 4089 1943 1945 1 | |
| 4090 1943 1958 1 | |
| 4091 1945 1946 1 | |
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| 4097 1950 1951 1 | |
| 4098 1950 1952 1 | |
| 4099 1950 1953 1 | |
| 4100 1954 1955 1 | |
| 4101 1954 1956 1 | |
| 4102 1954 1957 1 | |
| 4103 1958 1959 1 | |
| 4104 1958 1960 1 | |
| 4105 | 221 |
| 4106 [ pairs ] | 222 [ pairs ] |
| 4107 ; ai aj funct c0 c1 c2 c3 | 223 ; ai aj funct c0 c1 c2 c3 |
| 4108 1 8 1 | 224 1 8 1 |
| 4109 1 9 1 | 225 1 9 1 |
| 4292 69 72 1 | 408 69 72 1 |
| 4293 69 90 1 | 409 69 90 1 |
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| 4295 70 77 1 | 411 70 77 1 |
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| 4339 84 89 1 | 453 84 89 1 |
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| 4343 90 96 1 | |
| 4344 90 100 1 | |
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| 9007 1876 1882 1 | |
| 9008 1876 1883 1 | |
| 9009 1876 1899 1 | |
| 9010 1876 1900 1 | |
| 9011 1877 1879 1 | |
| 9012 1877 1880 1 | |
| 9013 1877 1898 1 | |
| 9014 1878 1884 1 | |
| 9015 1878 1885 1 | |
| 9016 1878 1886 1 | |
| 9017 1878 1901 1 | |
| 9018 1878 1902 1 | |
| 9019 1879 1881 1 | |
| 9020 1879 1882 1 | |
| 9021 1879 1883 1 | |
| 9022 1879 1899 1 | |
| 9023 1879 1900 1 | |
| 9024 1880 1887 1 | |
| 9025 1880 1888 1 | |
| 9026 1880 1889 1 | |
| 9027 1880 1899 1 | |
| 9028 1880 1900 1 | |
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| 9030 1881 1885 1 | |
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| 9037 1883 1890 1 | |
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| 9039 1883 1898 1 | |
| 9040 1884 1887 1 | |
| 9041 1884 1888 1 | |
| 9042 1884 1889 1 | |
| 9043 1885 1887 1 | |
| 9044 1885 1888 1 | |
| 9045 1885 1889 1 | |
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| 9047 1886 1895 1 | |
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| 9053 1889 1894 1 | |
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| 9060 1893 1895 1 | |
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| 9064 1898 1905 1 | |
| 9065 1899 1901 1 | |
| 9066 1899 1902 1 | |
| 9067 1900 1906 1 | |
| 9068 1900 1907 1 | |
| 9069 1901 1903 1 | |
| 9070 1901 1904 1 | |
| 9071 1901 1905 1 | |
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| 9073 1902 1909 1 | |
| 9074 1903 1906 1 | |
| 9075 1903 1907 1 | |
| 9076 1904 1906 1 | |
| 9077 1904 1907 1 | |
| 9078 1905 1910 1 | |
| 9079 1905 1911 1 | |
| 9080 1905 1915 1 | |
| 9081 1906 1908 1 | |
| 9082 1906 1909 1 | |
| 9083 1907 1912 1 | |
| 9084 1907 1913 1 | |
| 9085 1907 1914 1 | |
| 9086 1907 1916 1 | |
| 9087 1907 1917 1 | |
| 9088 1908 1910 1 | |
| 9089 1908 1911 1 | |
| 9090 1908 1915 1 | |
| 9091 1909 1918 1 | |
| 9092 1909 1919 1 | |
| 9093 1910 1912 1 | |
| 9094 1910 1913 1 | |
| 9095 1910 1914 1 | |
| 9096 1910 1916 1 | |
| 9097 1910 1917 1 | |
| 9098 1911 1916 1 | |
| 9099 1911 1917 1 | |
| 9100 1912 1915 1 | |
| 9101 1913 1915 1 | |
| 9102 1914 1915 1 | |
| 9103 1915 1920 1 | |
| 9104 1915 1921 1 | |
| 9105 1915 1939 1 | |
| 9106 1916 1918 1 | |
| 9107 1916 1919 1 | |
| 9108 1917 1922 1 | |
| 9109 1917 1923 1 | |
| 9110 1917 1924 1 | |
| 9111 1917 1940 1 | |
| 9112 1917 1941 1 | |
| 9113 1918 1920 1 | |
| 9114 1918 1921 1 | |
| 9115 1918 1939 1 | |
| 9116 1919 1925 1 | |
| 9117 1919 1926 1 | |
| 9118 1919 1927 1 | |
| 9119 1919 1942 1 | |
| 9120 1919 1943 1 | |
| 9121 1920 1922 1 | |
| 9122 1920 1923 1 | |
| 9123 1920 1924 1 | |
| 9124 1920 1940 1 | |
| 9125 1920 1941 1 | |
| 9126 1921 1928 1 | |
| 9127 1921 1929 1 | |
| 9128 1921 1930 1 | |
| 9129 1921 1940 1 | |
| 9130 1921 1941 1 | |
| 9131 1922 1925 1 | |
| 9132 1922 1926 1 | |
| 9133 1922 1927 1 | |
| 9134 1922 1939 1 | |
| 9135 1923 1925 1 | |
| 9136 1923 1926 1 | |
| 9137 1923 1927 1 | |
| 9138 1923 1939 1 | |
| 9139 1924 1931 1 | |
| 9140 1924 1932 1 | |
| 9141 1924 1939 1 | |
| 9142 1925 1928 1 | |
| 9143 1925 1929 1 | |
| 9144 1925 1930 1 | |
| 9145 1926 1928 1 | |
| 9146 1926 1929 1 | |
| 9147 1926 1930 1 | |
| 9148 1927 1933 1 | |
| 9149 1927 1936 1 | |
| 9150 1928 1931 1 | |
| 9151 1928 1932 1 | |
| 9152 1929 1931 1 | |
| 9153 1929 1932 1 | |
| 9154 1930 1934 1 | |
| 9155 1930 1935 1 | |
| 9156 1930 1937 1 | |
| 9157 1930 1938 1 | |
| 9158 1931 1933 1 | |
| 9159 1931 1936 1 | |
| 9160 1933 1937 1 | |
| 9161 1933 1938 1 | |
| 9162 1934 1936 1 | |
| 9163 1935 1936 1 | |
| 9164 1939 1944 1 | |
| 9165 1939 1945 1 | |
| 9166 1939 1958 1 | |
| 9167 1940 1942 1 | |
| 9168 1940 1943 1 | |
| 9169 1941 1946 1 | |
| 9170 1941 1947 1 | |
| 9171 1941 1948 1 | |
| 9172 1941 1959 1 | |
| 9173 1941 1960 1 | |
| 9174 1942 1944 1 | |
| 9175 1942 1945 1 | |
| 9176 1942 1958 1 | |
| 9177 1943 1949 1 | |
| 9178 1943 1950 1 | |
| 9179 1943 1954 1 | |
| 9180 1944 1946 1 | |
| 9181 1944 1947 1 | |
| 9182 1944 1948 1 | |
| 9183 1944 1959 1 | |
| 9184 1944 1960 1 | |
| 9185 1945 1951 1 | |
| 9186 1945 1952 1 | |
| 9187 1945 1953 1 | |
| 9188 1945 1955 1 | |
| 9189 1945 1956 1 | |
| 9190 1945 1957 1 | |
| 9191 1945 1959 1 | |
| 9192 1945 1960 1 | |
| 9193 1946 1949 1 | |
| 9194 1946 1950 1 | |
| 9195 1946 1954 1 | |
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| 9198 1947 1950 1 | |
| 9199 1947 1954 1 | |
| 9200 1947 1958 1 | |
| 9201 1948 1958 1 | |
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| 9203 1949 1952 1 | |
| 9204 1949 1953 1 | |
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| 9210 1950 1957 1 | |
| 9211 1951 1954 1 | |
| 9212 1952 1954 1 | |
| 9213 1953 1954 1 | |
| 9214 | 456 |
| 9215 [ angles ] | 457 [ angles ] |
| 9216 ; ai aj ak funct c0 c1 c2 c3 | 458 ; ai aj ak funct c0 c1 c2 c3 |
| 9217 2 1 3 1 | 459 2 1 3 1 |
| 9218 2 1 4 1 | 460 2 1 4 1 |
| 9377 83 87 89 1 | 619 83 87 89 1 |
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| 12595 1864 1863 1865 1 | |
| 12596 1864 1863 1870 1 | |
| 12597 1865 1863 1870 1 | |
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| 12599 1861 1866 1868 1 | |
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| 12606 1863 1870 1873 1 | |
| 12607 1871 1870 1872 1 | |
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| 12640 1886 1889 1890 1 | |
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| 12764 | 624 |
| 12765 [ dihedrals ] | 625 [ dihedrals ] |
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| 13477 271 270 272 273 3 | |
| 13478 271 270 272 274 3 | |
| 13479 270 272 274 275 3 | |
| 13480 270 272 274 276 3 | |
| 13481 270 272 274 282 3 | |
| 13482 273 272 274 275 3 | |
| 13483 273 272 274 276 3 | |
| 13484 273 272 274 282 3 | |
| 13485 272 274 276 279 3 dih_ASP_chi1_N_C_C_C | |
| 13486 282 274 276 279 3 dih_ASP_chi1_C_C_C_CO | |
| 13487 272 274 276 277 3 | |
| 13488 272 274 276 278 3 | |
| 13489 275 274 276 277 3 | |
| 13490 275 274 276 278 3 | |
| 13491 275 274 276 279 3 | |
| 13492 282 274 276 277 3 | |
| 13493 282 274 276 278 3 | |
| 13494 272 274 282 283 3 | |
| 13495 272 274 282 284 3 | |
| 13496 275 274 282 283 3 | |
| 13497 275 274 282 284 3 | |
| 13498 276 274 282 283 3 | |
| 13499 276 274 282 284 3 | |
| 13500 274 276 279 280 3 | |
| 13501 274 276 279 281 3 | |
| 13502 277 276 279 280 3 | |
| 13503 277 276 279 281 3 | |
| 13504 278 276 279 280 3 | |
| 13505 278 276 279 281 3 | |
| 13506 274 282 284 285 3 | |
| 13507 274 282 284 286 3 | |
| 13508 283 282 284 285 3 | |
| 13509 283 282 284 286 3 | |
| 13510 282 284 286 287 3 | |
| 13511 282 284 286 288 3 | |
| 13512 282 284 286 296 3 | |
| 13513 285 284 286 287 3 | |
| 13514 285 284 286 288 3 | |
| 13515 285 284 286 296 3 | |
| 13516 284 286 288 291 3 dih_ASN_chi1_N_C_C_C | |
| 13517 296 286 288 291 3 dih_ASN_chi1_C_C_C_CO | |
| 13518 284 286 288 289 3 | |
| 13519 284 286 288 290 3 | |
| 13520 287 286 288 289 3 | |
| 13521 287 286 288 290 3 | |
| 13522 287 286 288 291 3 | |
| 13523 296 286 288 289 3 | |
| 13524 296 286 288 290 3 | |
| 13525 284 286 296 297 3 | |
| 13526 284 286 296 298 3 | |
| 13527 287 286 296 297 3 | |
| 13528 287 286 296 298 3 | |
| 13529 288 286 296 297 3 | |
| 13530 288 286 296 298 3 | |
| 13531 286 288 291 293 3 dih_ASN_chi2_C_C_CO_N | |
| 13532 286 288 291 292 3 | |
| 13533 289 288 291 292 3 | |
| 13534 289 288 291 293 3 | |
| 13535 290 288 291 292 3 | |
| 13536 290 288 291 293 3 | |
| 13537 288 291 293 294 3 | |
| 13538 288 291 293 295 3 | |
| 13539 292 291 293 294 3 | |
| 13540 292 291 293 295 3 | |
| 13541 286 296 298 299 3 | |
| 13542 286 296 298 300 3 | |
| 13543 297 296 298 299 3 | |
| 13544 297 296 298 300 3 | |
| 13545 296 298 300 301 3 | |
| 13546 296 298 300 302 3 | |
| 13547 296 298 300 317 3 | |
| 13548 299 298 300 301 3 | |
| 13549 299 298 300 302 3 | |
| 13550 299 298 300 317 3 | |
| 13551 298 300 302 303 3 | |
| 13552 298 300 302 304 3 | |
| 13553 298 300 302 305 3 | |
| 13554 301 300 302 303 3 | |
| 13555 301 300 302 304 3 | |
| 13556 301 300 302 305 3 | |
| 13557 317 300 302 303 3 | |
| 13558 317 300 302 304 3 | |
| 13559 317 300 302 305 3 | |
| 13560 298 300 317 318 3 | |
| 13561 298 300 317 319 3 | |
| 13562 301 300 317 318 3 | |
| 13563 301 300 317 319 3 | |
| 13564 302 300 317 318 3 | |
| 13565 302 300 317 319 3 | |
| 13566 300 302 305 306 3 | |
| 13567 300 302 305 308 3 | |
| 13568 303 302 305 306 3 | |
| 13569 303 302 305 308 3 | |
| 13570 304 302 305 306 3 | |
| 13571 304 302 305 308 3 | |
| 13572 302 305 306 307 3 | |
| 13573 302 305 306 310 3 | |
| 13574 308 305 306 307 3 | |
| 13575 308 305 306 310 3 | |
| 13576 302 305 308 309 3 | |
| 13577 302 305 308 312 3 | |
| 13578 306 305 308 309 3 | |
| 13579 306 305 308 312 3 | |
| 13580 305 306 310 311 3 | |
| 13581 305 306 310 314 3 | |
| 13582 307 306 310 311 3 | |
| 13583 307 306 310 314 3 | |
| 13584 305 308 312 313 3 | |
| 13585 305 308 312 314 3 | |
| 13586 309 308 312 313 3 | |
| 13587 309 308 312 314 3 | |
| 13588 306 310 314 312 3 | |
| 13589 306 310 314 315 3 | |
| 13590 311 310 314 312 3 | |
| 13591 311 310 314 315 3 | |
| 13592 308 312 314 310 3 | |
| 13593 308 312 314 315 3 | |
| 13594 313 312 314 310 3 | |
| 13595 313 312 314 315 3 | |
| 13596 310 314 315 316 3 | |
| 13597 312 314 315 316 3 | |
| 13598 300 317 319 320 3 | |
| 13599 300 317 319 321 3 | |
| 13600 318 317 319 320 3 | |
| 13601 318 317 319 321 3 | |
| 13602 317 319 321 322 3 | |
| 13603 317 319 321 323 3 | |
| 13604 317 319 321 341 3 | |
| 13605 320 319 321 322 3 | |
| 13606 320 319 321 323 3 | |
| 13607 320 319 321 341 3 | |
| 13608 319 321 323 326 3 dih_ARG_chi1_N_C_C_C | |
| 13609 341 321 323 326 3 dih_ARG_chi1_C_C_C_CO | |
| 13610 319 321 323 324 3 | |
| 13611 319 321 323 325 3 | |
| 13612 322 321 323 324 3 | |
| 13613 322 321 323 325 3 | |
| 13614 322 321 323 326 3 | |
| 13615 341 321 323 324 3 | |
| 13616 341 321 323 325 3 | |
| 13617 319 321 341 342 3 | |
| 13618 319 321 341 343 3 | |
| 13619 322 321 341 342 3 | |
| 13620 322 321 341 343 3 | |
| 13621 323 321 341 342 3 | |
| 13622 323 321 341 343 3 | |
| 13623 321 323 326 327 3 | |
| 13624 321 323 326 328 3 | |
| 13625 321 323 326 329 3 | |
| 13626 324 323 326 327 3 | |
| 13627 324 323 326 328 3 | |
| 13628 324 323 326 329 3 | |
| 13629 325 323 326 327 3 | |
| 13630 325 323 326 328 3 | |
| 13631 325 323 326 329 3 | |
| 13632 323 326 329 330 3 | |
| 13633 323 326 329 331 3 | |
| 13634 323 326 329 332 3 | |
| 13635 327 326 329 330 3 | |
| 13636 327 326 329 331 3 | |
| 13637 327 326 329 332 3 | |
| 13638 328 326 329 330 3 | |
| 13639 328 326 329 331 3 | |
| 13640 328 326 329 332 3 | |
| 13641 326 329 332 333 3 | |
| 13642 326 329 332 334 3 | |
| 13643 330 329 332 333 3 | |
| 13644 330 329 332 334 3 | |
| 13645 331 329 332 333 3 | |
| 13646 331 329 332 334 3 | |
| 13647 329 332 334 335 3 | |
| 13648 329 332 334 338 3 | |
| 13649 333 332 334 335 3 | |
| 13650 333 332 334 338 3 | |
| 13651 332 334 335 336 3 | |
| 13652 332 334 335 337 3 | |
| 13653 338 334 335 336 3 | |
| 13654 338 334 335 337 3 | |
| 13655 332 334 338 339 3 | |
| 13656 332 334 338 340 3 | |
| 13657 335 334 338 339 3 | |
| 13658 335 334 338 340 3 | |
| 13659 321 341 343 344 3 | |
| 13660 321 341 343 345 3 | |
| 13661 342 341 343 344 3 | |
| 13662 342 341 343 345 3 | |
| 13663 341 343 345 346 3 | |
| 13664 341 343 345 347 3 | |
| 13665 341 343 345 348 3 | |
| 13666 344 343 345 346 3 | |
| 13667 344 343 345 347 3 | |
| 13668 344 343 345 348 3 | |
| 13669 343 345 348 349 3 | |
| 13670 343 345 348 350 3 | |
| 13671 346 345 348 349 3 | |
| 13672 346 345 348 350 3 | |
| 13673 347 345 348 349 3 | |
| 13674 347 345 348 350 3 | |
| 13675 345 348 350 351 3 | |
| 13676 345 348 350 352 3 | |
| 13677 349 348 350 351 3 | |
| 13678 349 348 350 352 3 | |
| 13679 348 350 352 353 3 | |
| 13680 348 350 352 354 3 | |
| 13681 348 350 352 369 3 | |
| 13682 351 350 352 353 3 | |
| 13683 351 350 352 354 3 | |
| 13684 351 350 352 369 3 | |
| 13685 350 352 354 355 3 | |
| 13686 350 352 354 356 3 | |
| 13687 350 352 354 357 3 | |
| 13688 353 352 354 355 3 | |
| 13689 353 352 354 356 3 | |
| 13690 353 352 354 357 3 | |
| 13691 369 352 354 355 3 | |
| 13692 369 352 354 356 3 | |
| 13693 369 352 354 357 3 | |
| 13694 350 352 369 370 3 | |
| 13695 350 352 369 371 3 | |
| 13696 353 352 369 370 3 | |
| 13697 353 352 369 371 3 | |
| 13698 354 352 369 370 3 | |
| 13699 354 352 369 371 3 | |
| 13700 352 354 357 358 3 | |
| 13701 352 354 357 360 3 | |
| 13702 355 354 357 358 3 | |
| 13703 355 354 357 360 3 | |
| 13704 356 354 357 358 3 | |
| 13705 356 354 357 360 3 | |
| 13706 354 357 358 359 3 | |
| 13707 354 357 358 362 3 | |
| 13708 360 357 358 359 3 | |
| 13709 360 357 358 362 3 | |
| 13710 354 357 360 361 3 | |
| 13711 354 357 360 364 3 | |
| 13712 358 357 360 361 3 | |
| 13713 358 357 360 364 3 | |
| 13714 357 358 362 363 3 | |
| 13715 357 358 362 366 3 | |
| 13716 359 358 362 363 3 | |
| 13717 359 358 362 366 3 | |
| 13718 357 360 364 365 3 | |
| 13719 357 360 364 366 3 | |
| 13720 361 360 364 365 3 | |
| 13721 361 360 364 366 3 | |
| 13722 358 362 366 364 3 | |
| 13723 358 362 366 367 3 | |
| 13724 363 362 366 364 3 | |
| 13725 363 362 366 367 3 | |
| 13726 360 364 366 362 3 | |
| 13727 360 364 366 367 3 | |
| 13728 365 364 366 362 3 | |
| 13729 365 364 366 367 3 | |
| 13730 362 366 367 368 3 | |
| 13731 364 366 367 368 3 | |
| 13732 352 369 371 372 3 | |
| 13733 352 369 371 373 3 | |
| 13734 370 369 371 372 3 | |
| 13735 370 369 371 373 3 | |
| 13736 369 371 373 374 3 | |
| 13737 369 371 373 375 3 | |
| 13738 369 371 373 380 3 | |
| 13739 372 371 373 374 3 | |
| 13740 372 371 373 375 3 | |
| 13741 372 371 373 380 3 | |
| 13742 371 373 375 378 3 dih_SER_THR_chi1_N_C_C_O | |
| 13743 380 373 375 378 3 dih_SER_THR_chi1_CO_C_C_O | |
| 13744 371 373 375 376 3 | |
| 13745 371 373 375 377 3 | |
| 13746 374 373 375 376 3 | |
| 13747 374 373 375 377 3 | |
| 13748 374 373 375 378 3 | |
| 13749 380 373 375 376 3 | |
| 13750 380 373 375 377 3 | |
| 13751 371 373 380 381 3 | |
| 13752 371 373 380 382 3 | |
| 13753 374 373 380 381 3 | |
| 13754 374 373 380 382 3 | |
| 13755 375 373 380 381 3 | |
| 13756 375 373 380 382 3 | |
| 13757 373 375 378 379 3 dih_SER_THR_chi2_C_C_OH_HO | |
| 13758 376 375 378 379 3 | |
| 13759 377 375 378 379 3 | |
| 13760 373 380 382 383 3 | |
| 13761 373 380 382 384 3 | |
| 13762 381 380 382 383 3 | |
| 13763 381 380 382 384 3 | |
| 13764 380 382 384 385 3 | |
| 13765 380 382 384 386 3 | |
| 13766 380 382 384 399 3 | |
| 13767 383 382 384 385 3 | |
| 13768 383 382 384 386 3 | |
| 13769 383 382 384 399 3 | |
| 13770 382 384 386 389 3 dih_LEU_chi1_N_C_C_C | |
| 13771 399 384 386 389 3 dih_LEU_chi1_C_C_C_CO | |
| 13772 382 384 386 387 3 | |
| 13773 382 384 386 388 3 | |
| 13774 385 384 386 387 3 | |
| 13775 385 384 386 388 3 | |
| 13776 385 384 386 389 3 | |
| 13777 399 384 386 387 3 | |
| 13778 399 384 386 388 3 | |
| 13779 382 384 399 400 3 | |
| 13780 382 384 399 401 3 | |
| 13781 385 384 399 400 3 | |
| 13782 385 384 399 401 3 | |
| 13783 386 384 399 400 3 | |
| 13784 386 384 399 401 3 | |
| 13785 384 386 389 390 3 | |
| 13786 384 386 389 391 3 | |
| 13787 384 386 389 395 3 | |
| 13788 387 386 389 390 3 | |
| 13789 387 386 389 391 3 | |
| 13790 387 386 389 395 3 | |
| 13791 388 386 389 390 3 | |
| 13792 388 386 389 391 3 | |
| 13793 388 386 389 395 3 | |
| 13794 386 389 391 392 3 | |
| 13795 386 389 391 393 3 | |
| 13796 386 389 391 394 3 | |
| 13797 390 389 391 392 3 | |
| 13798 390 389 391 393 3 | |
| 13799 390 389 391 394 3 | |
| 13800 395 389 391 392 3 | |
| 13801 395 389 391 393 3 | |
| 13802 395 389 391 394 3 | |
| 13803 386 389 395 396 3 | |
| 13804 386 389 395 397 3 | |
| 13805 386 389 395 398 3 | |
| 13806 390 389 395 396 3 | |
| 13807 390 389 395 397 3 | |
| 13808 390 389 395 398 3 | |
| 13809 391 389 395 396 3 | |
| 13810 391 389 395 397 3 | |
| 13811 391 389 395 398 3 | |
| 13812 384 399 401 402 3 | |
| 13813 384 399 401 403 3 | |
| 13814 400 399 401 402 3 | |
| 13815 400 399 401 403 3 | |
| 13816 399 401 403 404 3 | |
| 13817 399 401 403 405 3 | |
| 13818 399 401 403 406 3 | |
| 13819 402 401 403 404 3 | |
| 13820 402 401 403 405 3 | |
| 13821 402 401 403 406 3 | |
| 13822 401 403 406 407 3 | |
| 13823 401 403 406 408 3 | |
| 13824 404 403 406 407 3 | |
| 13825 404 403 406 408 3 | |
| 13826 405 403 406 407 3 | |
| 13827 405 403 406 408 3 | |
| 13828 403 406 408 409 3 | |
| 13829 403 406 408 410 3 | |
| 13830 407 406 408 409 3 | |
| 13831 407 406 408 410 3 | |
| 13832 406 408 410 411 3 | |
| 13833 406 408 410 412 3 | |
| 13834 406 408 410 420 3 | |
| 13835 409 408 410 411 3 | |
| 13836 409 408 410 412 3 | |
| 13837 409 408 410 420 3 | |
| 13838 408 410 412 415 3 dih_ASN_chi1_N_C_C_C | |
| 13839 420 410 412 415 3 dih_ASN_chi1_C_C_C_CO | |
| 13840 408 410 412 413 3 | |
| 13841 408 410 412 414 3 | |
| 13842 411 410 412 413 3 | |
| 13843 411 410 412 414 3 | |
| 13844 411 410 412 415 3 | |
| 13845 420 410 412 413 3 | |
| 13846 420 410 412 414 3 | |
| 13847 408 410 420 421 3 | |
| 13848 408 410 420 422 3 | |
| 13849 411 410 420 421 3 | |
| 13850 411 410 420 422 3 | |
| 13851 412 410 420 421 3 | |
| 13852 412 410 420 422 3 | |
| 13853 410 412 415 417 3 dih_ASN_chi2_C_C_CO_N | |
| 13854 410 412 415 416 3 | |
| 13855 413 412 415 416 3 | |
| 13856 413 412 415 417 3 | |
| 13857 414 412 415 416 3 | |
| 13858 414 412 415 417 3 | |
| 13859 412 415 417 418 3 | |
| 13860 412 415 417 419 3 | |
| 13861 416 415 417 418 3 | |
| 13862 416 415 417 419 3 | |
| 13863 410 420 422 423 3 | |
| 13864 410 420 422 424 3 | |
| 13865 421 420 422 423 3 | |
| 13866 421 420 422 424 3 | |
| 13867 420 422 424 425 3 | |
| 13868 420 422 424 426 3 | |
| 13869 420 422 424 444 3 | |
| 13870 423 422 424 425 3 | |
| 13871 423 422 424 426 3 | |
| 13872 423 422 424 444 3 | |
| 13873 422 424 426 429 3 dih_TRP_chi1_N_C_C_C | |
| 13874 444 424 426 429 3 dih_TRP_chi1_C_C_C_CO | |
| 13875 422 424 426 427 3 | |
| 13876 422 424 426 428 3 | |
| 13877 425 424 426 427 3 | |
| 13878 425 424 426 428 3 | |
| 13879 425 424 426 429 3 | |
| 13880 444 424 426 427 3 | |
| 13881 444 424 426 428 3 | |
| 13882 422 424 444 445 3 | |
| 13883 422 424 444 446 3 | |
| 13884 425 424 444 445 3 | |
| 13885 425 424 444 446 3 | |
| 13886 426 424 444 445 3 | |
| 13887 426 424 444 446 3 | |
| 13888 424 426 429 430 3 | |
| 13889 424 426 429 432 3 | |
| 13890 427 426 429 430 3 | |
| 13891 427 426 429 432 3 | |
| 13892 428 426 429 430 3 | |
| 13893 428 426 429 432 3 | |
| 13894 426 429 430 431 3 | |
| 13895 426 429 430 433 3 | |
| 13896 432 429 430 431 3 | |
| 13897 432 429 430 433 3 | |
| 13898 426 429 432 435 3 | |
| 13899 426 429 432 436 3 | |
| 13900 430 429 432 435 3 | |
| 13901 430 429 432 436 3 | |
| 13902 429 430 433 434 3 | |
| 13903 429 430 433 435 3 | |
| 13904 431 430 433 434 3 | |
| 13905 431 430 433 435 3 | |
| 13906 429 432 435 433 3 | |
| 13907 429 432 435 438 3 | |
| 13908 436 432 435 433 3 | |
| 13909 436 432 435 438 3 | |
| 13910 429 432 436 437 3 | |
| 13911 429 432 436 440 3 | |
| 13912 435 432 436 437 3 | |
| 13913 435 432 436 440 3 | |
| 13914 430 433 435 432 3 | |
| 13915 430 433 435 438 3 | |
| 13916 434 433 435 432 3 | |
| 13917 434 433 435 438 3 | |
| 13918 432 435 438 439 3 | |
| 13919 432 435 438 442 3 | |
| 13920 433 435 438 439 3 | |
| 13921 433 435 438 442 3 | |
| 13922 432 436 440 441 3 | |
| 13923 432 436 440 442 3 | |
| 13924 437 436 440 441 3 | |
| 13925 437 436 440 442 3 | |
| 13926 435 438 442 440 3 | |
| 13927 435 438 442 443 3 | |
| 13928 439 438 442 440 3 | |
| 13929 439 438 442 443 3 | |
| 13930 436 440 442 438 3 | |
| 13931 436 440 442 443 3 | |
| 13932 441 440 442 438 3 | |
| 13933 441 440 442 443 3 | |
| 13934 424 444 446 447 3 | |
| 13935 424 444 446 448 3 | |
| 13936 445 444 446 447 3 | |
| 13937 445 444 446 448 3 | |
| 13938 444 446 448 449 3 | |
| 13939 444 446 448 450 3 | |
| 13940 444 446 448 460 3 | |
| 13941 447 446 448 449 3 | |
| 13942 447 446 448 450 3 | |
| 13943 447 446 448 460 3 | |
| 13944 446 448 450 452 3 dih_VAL_chi1_N_C_C_C | |
| 13945 446 448 450 456 3 dih_VAL_chi1_N_C_C_C | |
| 13946 460 448 450 452 3 dih_VAL_chi1_C_C_C_CO | |
| 13947 460 448 450 456 3 dih_VAL_chi1_C_C_C_CO | |
| 13948 446 448 450 451 3 | |
| 13949 449 448 450 451 3 | |
| 13950 449 448 450 452 3 | |
| 13951 449 448 450 456 3 | |
| 13952 460 448 450 451 3 | |
| 13953 446 448 460 461 3 | |
| 13954 446 448 460 462 3 | |
| 13955 449 448 460 461 3 | |
| 13956 449 448 460 462 3 | |
| 13957 450 448 460 461 3 | |
| 13958 450 448 460 462 3 | |
| 13959 448 450 452 453 3 | |
| 13960 448 450 452 454 3 | |
| 13961 448 450 452 455 3 | |
| 13962 451 450 452 453 3 | |
| 13963 451 450 452 454 3 | |
| 13964 451 450 452 455 3 | |
| 13965 456 450 452 453 3 | |
| 13966 456 450 452 454 3 | |
| 13967 456 450 452 455 3 | |
| 13968 448 450 456 457 3 | |
| 13969 448 450 456 458 3 | |
| 13970 448 450 456 459 3 | |
| 13971 451 450 456 457 3 | |
| 13972 451 450 456 458 3 | |
| 13973 451 450 456 459 3 | |
| 13974 452 450 456 457 3 | |
| 13975 452 450 456 458 3 | |
| 13976 452 450 456 459 3 | |
| 13977 448 460 462 463 3 | |
| 13978 448 460 462 464 3 | |
| 13979 461 460 462 463 3 | |
| 13980 461 460 462 464 3 | |
| 13981 460 462 464 465 3 | |
| 13982 460 462 464 466 3 | |
| 13983 460 462 464 470 3 | |
| 13984 463 462 464 465 3 | |
| 13985 463 462 464 466 3 | |
| 13986 463 462 464 470 3 | |
| 13987 462 464 466 469 3 dih_CYS_chi1_N_C_C_S | |
| 13988 470 464 466 469 3 dih_CYS_chi1_CO_C_C_S | |
| 13989 462 464 466 467 3 | |
| 13990 462 464 466 468 3 | |
| 13991 465 464 466 467 3 | |
| 13992 465 464 466 468 3 | |
| 13993 465 464 466 469 3 | |
| 13994 470 464 466 467 3 | |
| 13995 470 464 466 468 3 | |
| 13996 462 464 470 471 3 | |
| 13997 462 464 470 472 3 | |
| 13998 465 464 470 471 3 | |
| 13999 465 464 470 472 3 | |
| 14000 466 464 470 471 3 | |
| 14001 466 464 470 472 3 | |
| 14002 464 466 469 1732 3 | |
| 14003 467 466 469 1732 3 | |
| 14004 468 466 469 1732 3 | |
| 14005 466 469 1732 1729 3 | |
| 14006 464 470 472 473 3 | |
| 14007 464 470 472 474 3 | |
| 14008 471 470 472 473 3 | |
| 14009 471 470 472 474 3 | |
| 14010 470 472 474 475 3 | |
| 14011 470 472 474 476 3 | |
| 14012 470 472 474 480 3 | |
| 14013 473 472 474 475 3 | |
| 14014 473 472 474 476 3 | |
| 14015 473 472 474 480 3 | |
| 14016 472 474 476 477 3 | |
| 14017 472 474 476 478 3 | |
| 14018 472 474 476 479 3 | |
| 14019 475 474 476 477 3 | |
| 14020 475 474 476 478 3 | |
| 14021 475 474 476 479 3 | |
| 14022 480 474 476 477 3 | |
| 14023 480 474 476 478 3 | |
| 14024 480 474 476 479 3 | |
| 14025 472 474 480 481 3 | |
| 14026 472 474 480 482 3 | |
| 14027 475 474 480 481 3 | |
| 14028 475 474 480 482 3 | |
| 14029 476 474 480 481 3 | |
| 14030 476 474 480 482 3 | |
| 14031 474 480 482 483 3 | |
| 14032 474 480 482 484 3 | |
| 14033 481 480 482 483 3 | |
| 14034 481 480 482 484 3 | |
| 14035 480 482 484 485 3 | |
| 14036 480 482 484 486 3 | |
| 14037 480 482 484 490 3 | |
| 14038 483 482 484 485 3 | |
| 14039 483 482 484 486 3 | |
| 14040 483 482 484 490 3 | |
| 14041 482 484 486 487 3 | |
| 14042 482 484 486 488 3 | |
| 14043 482 484 486 489 3 | |
| 14044 485 484 486 487 3 | |
| 14045 485 484 486 488 3 | |
| 14046 485 484 486 489 3 | |
| 14047 490 484 486 487 3 | |
| 14048 490 484 486 488 3 | |
| 14049 490 484 486 489 3 | |
| 14050 482 484 490 491 3 | |
| 14051 482 484 490 492 3 | |
| 14052 485 484 490 491 3 | |
| 14053 485 484 490 492 3 | |
| 14054 486 484 490 491 3 | |
| 14055 486 484 490 492 3 | |
| 14056 484 490 492 493 3 | |
| 14057 484 490 492 494 3 | |
| 14058 491 490 492 493 3 | |
| 14059 491 490 492 494 3 | |
| 14060 490 492 494 495 3 | |
| 14061 490 492 494 496 3 | |
| 14062 490 492 494 512 3 | |
| 14063 493 492 494 495 3 | |
| 14064 493 492 494 496 3 | |
| 14065 493 492 494 512 3 | |
| 14066 492 494 496 499 3 dih_LYS_chi1_N_C_C_C | |
| 14067 512 494 496 499 3 dih_LYS_chi1_C_C_C_CO | |
| 14068 492 494 496 497 3 | |
| 14069 492 494 496 498 3 | |
| 14070 495 494 496 497 3 | |
| 14071 495 494 496 498 3 | |
| 14072 495 494 496 499 3 | |
| 14073 512 494 496 497 3 | |
| 14074 512 494 496 498 3 | |
| 14075 492 494 512 513 3 | |
| 14076 492 494 512 514 3 | |
| 14077 495 494 512 513 3 | |
| 14078 495 494 512 514 3 | |
| 14079 496 494 512 513 3 | |
| 14080 496 494 512 514 3 | |
| 14081 494 496 499 500 3 | |
| 14082 494 496 499 501 3 | |
| 14083 494 496 499 502 3 | |
| 14084 497 496 499 500 3 | |
| 14085 497 496 499 501 3 | |
| 14086 497 496 499 502 3 | |
| 14087 498 496 499 500 3 | |
| 14088 498 496 499 501 3 | |
| 14089 498 496 499 502 3 | |
| 14090 496 499 502 503 3 | |
| 14091 496 499 502 504 3 | |
| 14092 496 499 502 505 3 | |
| 14093 500 499 502 503 3 | |
| 14094 500 499 502 504 3 | |
| 14095 500 499 502 505 3 | |
| 14096 501 499 502 503 3 | |
| 14097 501 499 502 504 3 | |
| 14098 501 499 502 505 3 | |
| 14099 499 502 505 506 3 | |
| 14100 499 502 505 507 3 | |
| 14101 499 502 505 508 3 | |
| 14102 503 502 505 506 3 | |
| 14103 503 502 505 507 3 | |
| 14104 503 502 505 508 3 | |
| 14105 504 502 505 506 3 | |
| 14106 504 502 505 507 3 | |
| 14107 504 502 505 508 3 | |
| 14108 502 505 508 509 3 dih_LYS_chi5_C_C_N_H | |
| 14109 502 505 508 510 3 dih_LYS_chi5_C_C_N_H | |
| 14110 502 505 508 511 3 dih_LYS_chi5_C_C_N_H | |
| 14111 506 505 508 509 3 | |
| 14112 506 505 508 510 3 | |
| 14113 506 505 508 511 3 | |
| 14114 507 505 508 509 3 | |
| 14115 507 505 508 510 3 | |
| 14116 507 505 508 511 3 | |
| 14117 494 512 514 515 3 | |
| 14118 494 512 514 516 3 | |
| 14119 513 512 514 515 3 | |
| 14120 513 512 514 516 3 | |
| 14121 512 514 516 517 3 | |
| 14122 512 514 516 518 3 | |
| 14123 512 514 516 532 3 | |
| 14124 515 514 516 517 3 | |
| 14125 515 514 516 518 3 | |
| 14126 515 514 516 532 3 | |
| 14127 514 516 518 519 3 | |
| 14128 514 516 518 520 3 | |
| 14129 514 516 518 521 3 | |
| 14130 517 516 518 519 3 | |
| 14131 517 516 518 520 3 | |
| 14132 517 516 518 521 3 | |
| 14133 532 516 518 519 3 | |
| 14134 532 516 518 520 3 | |
| 14135 532 516 518 521 3 | |
| 14136 514 516 532 533 3 | |
| 14137 514 516 532 534 3 | |
| 14138 517 516 532 533 3 | |
| 14139 517 516 532 534 3 | |
| 14140 518 516 532 533 3 | |
| 14141 518 516 532 534 3 | |
| 14142 516 518 521 522 3 | |
| 14143 516 518 521 524 3 | |
| 14144 519 518 521 522 3 | |
| 14145 519 518 521 524 3 | |
| 14146 520 518 521 522 3 | |
| 14147 520 518 521 524 3 | |
| 14148 518 521 522 523 3 | |
| 14149 518 521 522 526 3 | |
| 14150 524 521 522 523 3 | |
| 14151 524 521 522 526 3 | |
| 14152 518 521 524 525 3 | |
| 14153 518 521 524 528 3 | |
| 14154 522 521 524 525 3 | |
| 14155 522 521 524 528 3 | |
| 14156 521 522 526 527 3 | |
| 14157 521 522 526 530 3 | |
| 14158 523 522 526 527 3 | |
| 14159 523 522 526 530 3 | |
| 14160 521 524 528 529 3 | |
| 14161 521 524 528 530 3 | |
| 14162 525 524 528 529 3 | |
| 14163 525 524 528 530 3 | |
| 14164 522 526 530 528 3 | |
| 14165 522 526 530 531 3 | |
| 14166 527 526 530 528 3 | |
| 14167 527 526 530 531 3 | |
| 14168 524 528 530 526 3 | |
| 14169 524 528 530 531 3 | |
| 14170 529 528 530 526 3 | |
| 14171 529 528 530 531 3 | |
| 14172 516 532 534 535 3 | |
| 14173 516 532 534 536 3 | |
| 14174 533 532 534 535 3 | |
| 14175 533 532 534 536 3 | |
| 14176 532 534 536 537 3 | |
| 14177 532 534 536 538 3 | |
| 14178 532 534 536 547 3 | |
| 14179 535 534 536 537 3 | |
| 14180 535 534 536 538 3 | |
| 14181 535 534 536 547 3 | |
| 14182 534 536 538 541 3 dih_GLU_chi1_N_C_C_C | |
| 14183 547 536 538 541 3 dih_GLU_chi1_C_C_C_CO | |
| 14184 534 536 538 539 3 | |
| 14185 534 536 538 540 3 | |
| 14186 537 536 538 539 3 | |
| 14187 537 536 538 540 3 | |
| 14188 537 536 538 541 3 | |
| 14189 547 536 538 539 3 | |
| 14190 547 536 538 540 3 | |
| 14191 534 536 547 548 3 | |
| 14192 534 536 547 549 3 | |
| 14193 537 536 547 548 3 | |
| 14194 537 536 547 549 3 | |
| 14195 538 536 547 548 3 | |
| 14196 538 536 547 549 3 | |
| 14197 536 538 541 542 3 | |
| 14198 536 538 541 543 3 | |
| 14199 536 538 541 544 3 | |
| 14200 539 538 541 542 3 | |
| 14201 539 538 541 543 3 | |
| 14202 539 538 541 544 3 | |
| 14203 540 538 541 542 3 | |
| 14204 540 538 541 543 3 | |
| 14205 540 538 541 544 3 | |
| 14206 538 541 544 545 3 | |
| 14207 538 541 544 546 3 | |
| 14208 542 541 544 545 3 | |
| 14209 542 541 544 546 3 | |
| 14210 543 541 544 545 3 | |
| 14211 543 541 544 546 3 | |
| 14212 536 547 549 550 3 | |
| 14213 536 547 549 551 3 | |
| 14214 548 547 549 550 3 | |
| 14215 548 547 549 551 3 | |
| 14216 547 549 551 552 3 | |
| 14217 547 549 551 553 3 | |
| 14218 547 549 551 558 3 | |
| 14219 550 549 551 552 3 | |
| 14220 550 549 551 553 3 | |
| 14221 550 549 551 558 3 | |
| 14222 549 551 553 556 3 dih_SER_THR_chi1_N_C_C_O | |
| 14223 558 551 553 556 3 dih_SER_THR_chi1_CO_C_C_O | |
| 14224 549 551 553 554 3 | |
| 14225 549 551 553 555 3 | |
| 14226 552 551 553 554 3 | |
| 14227 552 551 553 555 3 | |
| 14228 552 551 553 556 3 | |
| 14229 558 551 553 554 3 | |
| 14230 558 551 553 555 3 | |
| 14231 549 551 558 559 3 | |
| 14232 549 551 558 560 3 | |
| 14233 552 551 558 559 3 | |
| 14234 552 551 558 560 3 | |
| 14235 553 551 558 559 3 | |
| 14236 553 551 558 560 3 | |
| 14237 551 553 556 557 3 dih_SER_THR_chi2_C_C_OH_HO | |
| 14238 554 553 556 557 3 | |
| 14239 555 553 556 557 3 | |
| 14240 551 558 560 561 3 | |
| 14241 551 558 560 562 3 | |
| 14242 559 558 560 561 3 | |
| 14243 559 558 560 562 3 | |
| 14244 558 560 562 563 3 | |
| 14245 558 560 562 564 3 | |
| 14246 558 560 562 572 3 | |
| 14247 561 560 562 563 3 | |
| 14248 561 560 562 564 3 | |
| 14249 561 560 562 572 3 | |
| 14250 560 562 564 567 3 dih_ASN_chi1_N_C_C_C | |
| 14251 572 562 564 567 3 dih_ASN_chi1_C_C_C_CO | |
| 14252 560 562 564 565 3 | |
| 14253 560 562 564 566 3 | |
| 14254 563 562 564 565 3 | |
| 14255 563 562 564 566 3 | |
| 14256 563 562 564 567 3 | |
| 14257 572 562 564 565 3 | |
| 14258 572 562 564 566 3 | |
| 14259 560 562 572 573 3 | |
| 14260 560 562 572 574 3 | |
| 14261 563 562 572 573 3 | |
| 14262 563 562 572 574 3 | |
| 14263 564 562 572 573 3 | |
| 14264 564 562 572 574 3 | |
| 14265 562 564 567 569 3 dih_ASN_chi2_C_C_CO_N | |
| 14266 562 564 567 568 3 | |
| 14267 565 564 567 568 3 | |
| 14268 565 564 567 569 3 | |
| 14269 566 564 567 568 3 | |
| 14270 566 564 567 569 3 | |
| 14271 564 567 569 570 3 | |
| 14272 564 567 569 571 3 | |
| 14273 568 567 569 570 3 | |
| 14274 568 567 569 571 3 | |
| 14275 562 572 574 575 3 | |
| 14276 562 572 574 576 3 | |
| 14277 573 572 574 575 3 | |
| 14278 573 572 574 576 3 | |
| 14279 572 574 576 577 3 | |
| 14280 572 574 576 578 3 | |
| 14281 572 574 576 592 3 | |
| 14282 575 574 576 577 3 | |
| 14283 575 574 576 578 3 | |
| 14284 575 574 576 592 3 | |
| 14285 574 576 578 579 3 | |
| 14286 574 576 578 580 3 | |
| 14287 574 576 578 581 3 | |
| 14288 577 576 578 579 3 | |
| 14289 577 576 578 580 3 | |
| 14290 577 576 578 581 3 | |
| 14291 592 576 578 579 3 | |
| 14292 592 576 578 580 3 | |
| 14293 592 576 578 581 3 | |
| 14294 574 576 592 593 3 | |
| 14295 574 576 592 594 3 | |
| 14296 577 576 592 593 3 | |
| 14297 577 576 592 594 3 | |
| 14298 578 576 592 593 3 | |
| 14299 578 576 592 594 3 | |
| 14300 576 578 581 582 3 | |
| 14301 576 578 581 584 3 | |
| 14302 579 578 581 582 3 | |
| 14303 579 578 581 584 3 | |
| 14304 580 578 581 582 3 | |
| 14305 580 578 581 584 3 | |
| 14306 578 581 582 583 3 | |
| 14307 578 581 582 586 3 | |
| 14308 584 581 582 583 3 | |
| 14309 584 581 582 586 3 | |
| 14310 578 581 584 585 3 | |
| 14311 578 581 584 588 3 | |
| 14312 582 581 584 585 3 | |
| 14313 582 581 584 588 3 | |
| 14314 581 582 586 587 3 | |
| 14315 581 582 586 590 3 | |
| 14316 583 582 586 587 3 | |
| 14317 583 582 586 590 3 | |
| 14318 581 584 588 589 3 | |
| 14319 581 584 588 590 3 | |
| 14320 585 584 588 589 3 | |
| 14321 585 584 588 590 3 | |
| 14322 582 586 590 588 3 | |
| 14323 582 586 590 591 3 | |
| 14324 587 586 590 588 3 | |
| 14325 587 586 590 591 3 | |
| 14326 584 588 590 586 3 | |
| 14327 584 588 590 591 3 | |
| 14328 589 588 590 586 3 | |
| 14329 589 588 590 591 3 | |
| 14330 576 592 594 595 3 | |
| 14331 576 592 594 596 3 | |
| 14332 593 592 594 595 3 | |
| 14333 593 592 594 596 3 | |
| 14334 592 594 596 597 3 | |
| 14335 592 594 596 598 3 | |
| 14336 592 594 596 606 3 | |
| 14337 595 594 596 597 3 | |
| 14338 595 594 596 598 3 | |
| 14339 595 594 596 606 3 | |
| 14340 594 596 598 601 3 dih_ASN_chi1_N_C_C_C | |
| 14341 606 596 598 601 3 dih_ASN_chi1_C_C_C_CO | |
| 14342 594 596 598 599 3 | |
| 14343 594 596 598 600 3 | |
| 14344 597 596 598 599 3 | |
| 14345 597 596 598 600 3 | |
| 14346 597 596 598 601 3 | |
| 14347 606 596 598 599 3 | |
| 14348 606 596 598 600 3 | |
| 14349 594 596 606 607 3 | |
| 14350 594 596 606 608 3 | |
| 14351 597 596 606 607 3 | |
| 14352 597 596 606 608 3 | |
| 14353 598 596 606 607 3 | |
| 14354 598 596 606 608 3 | |
| 14355 596 598 601 603 3 dih_ASN_chi2_C_C_CO_N | |
| 14356 596 598 601 602 3 | |
| 14357 599 598 601 602 3 | |
| 14358 599 598 601 603 3 | |
| 14359 600 598 601 602 3 | |
| 14360 600 598 601 603 3 | |
| 14361 598 601 603 604 3 | |
| 14362 598 601 603 605 3 | |
| 14363 602 601 603 604 3 | |
| 14364 602 601 603 605 3 | |
| 14365 596 606 608 609 3 | |
| 14366 596 606 608 610 3 | |
| 14367 607 606 608 609 3 | |
| 14368 607 606 608 610 3 | |
| 14369 606 608 610 611 3 | |
| 14370 606 608 610 612 3 | |
| 14371 606 608 610 620 3 | |
| 14372 609 608 610 611 3 | |
| 14373 609 608 610 612 3 | |
| 14374 609 608 610 620 3 | |
| 14375 608 610 612 614 3 dih_SER_THR_chi1_N_C_C_O | |
| 14376 620 610 612 614 3 dih_SER_THR_chi1_CO_C_C_O | |
| 14377 608 610 612 613 3 | |
| 14378 608 610 612 616 3 | |
| 14379 611 610 612 613 3 | |
| 14380 611 610 612 614 3 | |
| 14381 611 610 612 616 3 | |
| 14382 620 610 612 613 3 | |
| 14383 620 610 612 616 3 | |
| 14384 608 610 620 621 3 | |
| 14385 608 610 620 622 3 | |
| 14386 611 610 620 621 3 | |
| 14387 611 610 620 622 3 | |
| 14388 612 610 620 621 3 | |
| 14389 612 610 620 622 3 | |
| 14390 610 612 614 615 3 dih_SER_THR_chi2_C_C_OH_HO | |
| 14391 613 612 614 615 3 | |
| 14392 616 612 614 615 3 | |
| 14393 610 612 616 617 3 | |
| 14394 610 612 616 618 3 | |
| 14395 610 612 616 619 3 | |
| 14396 613 612 616 617 3 | |
| 14397 613 612 616 618 3 | |
| 14398 613 612 616 619 3 | |
| 14399 614 612 616 617 3 | |
| 14400 614 612 616 618 3 | |
| 14401 614 612 616 619 3 | |
| 14402 610 620 622 623 3 | |
| 14403 610 620 622 624 3 | |
| 14404 621 620 622 623 3 | |
| 14405 621 620 622 624 3 | |
| 14406 620 622 624 625 3 | |
| 14407 620 622 624 626 3 | |
| 14408 620 622 624 637 3 | |
| 14409 623 622 624 625 3 | |
| 14410 623 622 624 626 3 | |
| 14411 623 622 624 637 3 | |
| 14412 622 624 626 629 3 dih_GLN_chi1_N_C_C_C | |
| 14413 637 624 626 629 3 dih_GLN_chi1_C_C_C_CO | |
| 14414 622 624 626 627 3 | |
| 14415 622 624 626 628 3 | |
| 14416 625 624 626 627 3 | |
| 14417 625 624 626 628 3 | |
| 14418 625 624 626 629 3 | |
| 14419 637 624 626 627 3 | |
| 14420 637 624 626 628 3 | |
| 14421 622 624 637 638 3 | |
| 14422 622 624 637 639 3 | |
| 14423 625 624 637 638 3 | |
| 14424 625 624 637 639 3 | |
| 14425 626 624 637 638 3 | |
| 14426 626 624 637 639 3 | |
| 14427 624 626 629 630 3 | |
| 14428 624 626 629 631 3 | |
| 14429 624 626 629 632 3 | |
| 14430 627 626 629 630 3 | |
| 14431 627 626 629 631 3 | |
| 14432 627 626 629 632 3 | |
| 14433 628 626 629 630 3 | |
| 14434 628 626 629 631 3 | |
| 14435 628 626 629 632 3 | |
| 14436 626 629 632 634 3 dih_GLN_chi3_C_C_CO_N | |
| 14437 626 629 632 633 3 | |
| 14438 630 629 632 633 3 | |
| 14439 630 629 632 634 3 | |
| 14440 631 629 632 633 3 | |
| 14441 631 629 632 634 3 | |
| 14442 629 632 634 635 3 | |
| 14443 629 632 634 636 3 | |
| 14444 633 632 634 635 3 | |
| 14445 633 632 634 636 3 | |
| 14446 624 637 639 640 3 | |
| 14447 624 637 639 641 3 | |
| 14448 638 637 639 640 3 | |
| 14449 638 637 639 641 3 | |
| 14450 637 639 641 642 3 | |
| 14451 637 639 641 643 3 | |
| 14452 637 639 641 647 3 | |
| 14453 640 639 641 642 3 | |
| 14454 640 639 641 643 3 | |
| 14455 640 639 641 647 3 | |
| 14456 639 641 643 644 3 | |
| 14457 639 641 643 645 3 | |
| 14458 639 641 643 646 3 | |
| 14459 642 641 643 644 3 | |
| 14460 642 641 643 645 3 | |
| 14461 642 641 643 646 3 | |
| 14462 647 641 643 644 3 | |
| 14463 647 641 643 645 3 | |
| 14464 647 641 643 646 3 | |
| 14465 639 641 647 648 3 | |
| 14466 639 641 647 649 3 | |
| 14467 642 641 647 648 3 | |
| 14468 642 641 647 649 3 | |
| 14469 643 641 647 648 3 | |
| 14470 643 641 647 649 3 | |
| 14471 641 647 649 650 3 | |
| 14472 641 647 649 651 3 | |
| 14473 648 647 649 650 3 | |
| 14474 648 647 649 651 3 | |
| 14475 647 649 651 652 3 | |
| 14476 647 649 651 653 3 | |
| 14477 647 649 651 661 3 | |
| 14478 650 649 651 652 3 | |
| 14479 650 649 651 653 3 | |
| 14480 650 649 651 661 3 | |
| 14481 649 651 653 655 3 dih_SER_THR_chi1_N_C_C_O | |
| 14482 661 651 653 655 3 dih_SER_THR_chi1_CO_C_C_O | |
| 14483 649 651 653 654 3 | |
| 14484 649 651 653 657 3 | |
| 14485 652 651 653 654 3 | |
| 14486 652 651 653 655 3 | |
| 14487 652 651 653 657 3 | |
| 14488 661 651 653 654 3 | |
| 14489 661 651 653 657 3 | |
| 14490 649 651 661 662 3 | |
| 14491 649 651 661 663 3 | |
| 14492 652 651 661 662 3 | |
| 14493 652 651 661 663 3 | |
| 14494 653 651 661 662 3 | |
| 14495 653 651 661 663 3 | |
| 14496 651 653 655 656 3 dih_SER_THR_chi2_C_C_OH_HO | |
| 14497 654 653 655 656 3 | |
| 14498 657 653 655 656 3 | |
| 14499 651 653 657 658 3 | |
| 14500 651 653 657 659 3 | |
| 14501 651 653 657 660 3 | |
| 14502 654 653 657 658 3 | |
| 14503 654 653 657 659 3 | |
| 14504 654 653 657 660 3 | |
| 14505 655 653 657 658 3 | |
| 14506 655 653 657 659 3 | |
| 14507 655 653 657 660 3 | |
| 14508 651 661 663 664 3 | |
| 14509 651 661 663 665 3 | |
| 14510 662 661 663 664 3 | |
| 14511 662 661 663 665 3 | |
| 14512 661 663 665 666 3 | |
| 14513 661 663 665 667 3 | |
| 14514 661 663 665 675 3 | |
| 14515 664 663 665 666 3 | |
| 14516 664 663 665 667 3 | |
| 14517 664 663 665 675 3 | |
| 14518 663 665 667 670 3 dih_ASN_chi1_N_C_C_C | |
| 14519 675 665 667 670 3 dih_ASN_chi1_C_C_C_CO | |
| 14520 663 665 667 668 3 | |
| 14521 663 665 667 669 3 | |
| 14522 666 665 667 668 3 | |
| 14523 666 665 667 669 3 | |
| 14524 666 665 667 670 3 | |
| 14525 675 665 667 668 3 | |
| 14526 675 665 667 669 3 | |
| 14527 663 665 675 676 3 | |
| 14528 663 665 675 677 3 | |
| 14529 666 665 675 676 3 | |
| 14530 666 665 675 677 3 | |
| 14531 667 665 675 676 3 | |
| 14532 667 665 675 677 3 | |
| 14533 665 667 670 672 3 dih_ASN_chi2_C_C_CO_N | |
| 14534 665 667 670 671 3 | |
| 14535 668 667 670 671 3 | |
| 14536 668 667 670 672 3 | |
| 14537 669 667 670 671 3 | |
| 14538 669 667 670 672 3 | |
| 14539 667 670 672 673 3 | |
| 14540 667 670 672 674 3 | |
| 14541 671 670 672 673 3 | |
| 14542 671 670 672 674 3 | |
| 14543 665 675 677 678 3 | |
| 14544 665 675 677 679 3 | |
| 14545 676 675 677 678 3 | |
| 14546 676 675 677 679 3 | |
| 14547 675 677 679 680 3 | |
| 14548 675 677 679 681 3 | |
| 14549 675 677 679 699 3 | |
| 14550 678 677 679 680 3 | |
| 14551 678 677 679 681 3 | |
| 14552 678 677 679 699 3 | |
| 14553 677 679 681 684 3 dih_ARG_chi1_N_C_C_C | |
| 14554 699 679 681 684 3 dih_ARG_chi1_C_C_C_CO | |
| 14555 677 679 681 682 3 | |
| 14556 677 679 681 683 3 | |
| 14557 680 679 681 682 3 | |
| 14558 680 679 681 683 3 | |
| 14559 680 679 681 684 3 | |
| 14560 699 679 681 682 3 | |
| 14561 699 679 681 683 3 | |
| 14562 677 679 699 700 3 | |
| 14563 677 679 699 701 3 | |
| 14564 680 679 699 700 3 | |
| 14565 680 679 699 701 3 | |
| 14566 681 679 699 700 3 | |
| 14567 681 679 699 701 3 | |
| 14568 679 681 684 685 3 | |
| 14569 679 681 684 686 3 | |
| 14570 679 681 684 687 3 | |
| 14571 682 681 684 685 3 | |
| 14572 682 681 684 686 3 | |
| 14573 682 681 684 687 3 | |
| 14574 683 681 684 685 3 | |
| 14575 683 681 684 686 3 | |
| 14576 683 681 684 687 3 | |
| 14577 681 684 687 688 3 | |
| 14578 681 684 687 689 3 | |
| 14579 681 684 687 690 3 | |
| 14580 685 684 687 688 3 | |
| 14581 685 684 687 689 3 | |
| 14582 685 684 687 690 3 | |
| 14583 686 684 687 688 3 | |
| 14584 686 684 687 689 3 | |
| 14585 686 684 687 690 3 | |
| 14586 684 687 690 691 3 | |
| 14587 684 687 690 692 3 | |
| 14588 688 687 690 691 3 | |
| 14589 688 687 690 692 3 | |
| 14590 689 687 690 691 3 | |
| 14591 689 687 690 692 3 | |
| 14592 687 690 692 693 3 | |
| 14593 687 690 692 696 3 | |
| 14594 691 690 692 693 3 | |
| 14595 691 690 692 696 3 | |
| 14596 690 692 693 694 3 | |
| 14597 690 692 693 695 3 | |
| 14598 696 692 693 694 3 | |
| 14599 696 692 693 695 3 | |
| 14600 690 692 696 697 3 | |
| 14601 690 692 696 698 3 | |
| 14602 693 692 696 697 3 | |
| 14603 693 692 696 698 3 | |
| 14604 679 699 701 702 3 | |
| 14605 679 699 701 703 3 | |
| 14606 700 699 701 702 3 | |
| 14607 700 699 701 703 3 | |
| 14608 699 701 703 704 3 | |
| 14609 699 701 703 705 3 | |
| 14610 699 701 703 713 3 | |
| 14611 702 701 703 704 3 | |
| 14612 702 701 703 705 3 | |
| 14613 702 701 703 713 3 | |
| 14614 701 703 705 708 3 dih_ASN_chi1_N_C_C_C | |
| 14615 713 703 705 708 3 dih_ASN_chi1_C_C_C_CO | |
| 14616 701 703 705 706 3 | |
| 14617 701 703 705 707 3 | |
| 14618 704 703 705 706 3 | |
| 14619 704 703 705 707 3 | |
| 14620 704 703 705 708 3 | |
| 14621 713 703 705 706 3 | |
| 14622 713 703 705 707 3 | |
| 14623 701 703 713 714 3 | |
| 14624 701 703 713 715 3 | |
| 14625 704 703 713 714 3 | |
| 14626 704 703 713 715 3 | |
| 14627 705 703 713 714 3 | |
| 14628 705 703 713 715 3 | |
| 14629 703 705 708 710 3 dih_ASN_chi2_C_C_CO_N | |
| 14630 703 705 708 709 3 | |
| 14631 706 705 708 709 3 | |
| 14632 706 705 708 710 3 | |
| 14633 707 705 708 709 3 | |
| 14634 707 705 708 710 3 | |
| 14635 705 708 710 711 3 | |
| 14636 705 708 710 712 3 | |
| 14637 709 708 710 711 3 | |
| 14638 709 708 710 712 3 | |
| 14639 703 713 715 716 3 | |
| 14640 703 713 715 717 3 | |
| 14641 714 713 715 716 3 | |
| 14642 714 713 715 717 3 | |
| 14643 713 715 717 718 3 | |
| 14644 713 715 717 719 3 | |
| 14645 713 715 717 727 3 | |
| 14646 716 715 717 718 3 | |
| 14647 716 715 717 719 3 | |
| 14648 716 715 717 727 3 | |
| 14649 715 717 719 721 3 dih_SER_THR_chi1_N_C_C_O | |
| 14650 727 717 719 721 3 dih_SER_THR_chi1_CO_C_C_O | |
| 14651 715 717 719 720 3 | |
| 14652 715 717 719 723 3 | |
| 14653 718 717 719 720 3 | |
| 14654 718 717 719 721 3 | |
| 14655 718 717 719 723 3 | |
| 14656 727 717 719 720 3 | |
| 14657 727 717 719 723 3 | |
| 14658 715 717 727 728 3 | |
| 14659 715 717 727 729 3 | |
| 14660 718 717 727 728 3 | |
| 14661 718 717 727 729 3 | |
| 14662 719 717 727 728 3 | |
| 14663 719 717 727 729 3 | |
| 14664 717 719 721 722 3 dih_SER_THR_chi2_C_C_OH_HO | |
| 14665 720 719 721 722 3 | |
| 14666 723 719 721 722 3 | |
| 14667 717 719 723 724 3 | |
| 14668 717 719 723 725 3 | |
| 14669 717 719 723 726 3 | |
| 14670 720 719 723 724 3 | |
| 14671 720 719 723 725 3 | |
| 14672 720 719 723 726 3 | |
| 14673 721 719 723 724 3 | |
| 14674 721 719 723 725 3 | |
| 14675 721 719 723 726 3 | |
| 14676 717 727 729 730 3 | |
| 14677 717 727 729 731 3 | |
| 14678 728 727 729 730 3 | |
| 14679 728 727 729 731 3 | |
| 14680 727 729 731 732 3 | |
| 14681 727 729 731 733 3 | |
| 14682 727 729 731 739 3 | |
| 14683 730 729 731 732 3 | |
| 14684 730 729 731 733 3 | |
| 14685 730 729 731 739 3 | |
| 14686 729 731 733 736 3 dih_ASP_chi1_N_C_C_C | |
| 14687 739 731 733 736 3 dih_ASP_chi1_C_C_C_CO | |
| 14688 729 731 733 734 3 | |
| 14689 729 731 733 735 3 | |
| 14690 732 731 733 734 3 | |
| 14691 732 731 733 735 3 | |
| 14692 732 731 733 736 3 | |
| 14693 739 731 733 734 3 | |
| 14694 739 731 733 735 3 | |
| 14695 729 731 739 740 3 | |
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| 14697 732 731 739 740 3 | |
| 14698 732 731 739 741 3 | |
| 14699 733 731 739 740 3 | |
| 14700 733 731 739 741 3 | |
| 14701 731 733 736 737 3 | |
| 14702 731 733 736 738 3 | |
| 14703 734 733 736 737 3 | |
| 14704 734 733 736 738 3 | |
| 14705 735 733 736 737 3 | |
| 14706 735 733 736 738 3 | |
| 14707 731 739 741 742 3 | |
| 14708 731 739 741 743 3 | |
| 14709 740 739 741 742 3 | |
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| 14723 743 746 748 749 3 | |
| 14724 743 746 748 750 3 | |
| 14725 747 746 748 749 3 | |
| 14726 747 746 748 750 3 | |
| 14727 746 748 750 751 3 | |
| 14728 746 748 750 752 3 | |
| 14729 746 748 750 757 3 | |
| 14730 749 748 750 751 3 | |
| 14731 749 748 750 752 3 | |
| 14732 749 748 750 757 3 | |
| 14733 748 750 752 755 3 dih_SER_THR_chi1_N_C_C_O | |
| 14734 757 750 752 755 3 dih_SER_THR_chi1_CO_C_C_O | |
| 14735 748 750 752 753 3 | |
| 14736 748 750 752 754 3 | |
| 14737 751 750 752 753 3 | |
| 14738 751 750 752 754 3 | |
| 14739 751 750 752 755 3 | |
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| 14744 751 750 757 758 3 | |
| 14745 751 750 757 759 3 | |
| 14746 752 750 757 758 3 | |
| 14747 752 750 757 759 3 | |
| 14748 750 752 755 756 3 dih_SER_THR_chi2_C_C_OH_HO | |
| 14749 753 752 755 756 3 | |
| 14750 754 752 755 756 3 | |
| 14751 750 757 759 760 3 | |
| 14752 750 757 759 761 3 | |
| 14753 758 757 759 760 3 | |
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| 14756 757 759 761 763 3 | |
| 14757 757 759 761 771 3 | |
| 14758 760 759 761 762 3 | |
| 14759 760 759 761 763 3 | |
| 14760 760 759 761 771 3 | |
| 14761 759 761 763 765 3 dih_SER_THR_chi1_N_C_C_O | |
| 14762 771 761 763 765 3 dih_SER_THR_chi1_CO_C_C_O | |
| 14763 759 761 763 764 3 | |
| 14764 759 761 763 767 3 | |
| 14765 762 761 763 764 3 | |
| 14766 762 761 763 765 3 | |
| 14767 762 761 763 767 3 | |
| 14768 771 761 763 764 3 | |
| 14769 771 761 763 767 3 | |
| 14770 759 761 771 772 3 | |
| 14771 759 761 771 773 3 | |
| 14772 762 761 771 772 3 | |
| 14773 762 761 771 773 3 | |
| 14774 763 761 771 772 3 | |
| 14775 763 761 771 773 3 | |
| 14776 761 763 765 766 3 dih_SER_THR_chi2_C_C_OH_HO | |
| 14777 764 763 765 766 3 | |
| 14778 767 763 765 766 3 | |
| 14779 761 763 767 768 3 | |
| 14780 761 763 767 769 3 | |
| 14781 761 763 767 770 3 | |
| 14782 764 763 767 768 3 | |
| 14783 764 763 767 769 3 | |
| 14784 764 763 767 770 3 | |
| 14785 765 763 767 768 3 | |
| 14786 765 763 767 769 3 | |
| 14787 765 763 767 770 3 | |
| 14788 761 771 773 774 3 | |
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| 14790 772 771 773 774 3 | |
| 14791 772 771 773 775 3 | |
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| 14793 771 773 775 777 3 | |
| 14794 771 773 775 783 3 | |
| 14795 774 773 775 776 3 | |
| 14796 774 773 775 777 3 | |
| 14797 774 773 775 783 3 | |
| 14798 773 775 777 780 3 dih_ASP_chi1_N_C_C_C | |
| 14799 783 775 777 780 3 dih_ASP_chi1_C_C_C_CO | |
| 14800 773 775 777 778 3 | |
| 14801 773 775 777 779 3 | |
| 14802 776 775 777 778 3 | |
| 14803 776 775 777 779 3 | |
| 14804 776 775 777 780 3 | |
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| 14811 777 775 783 784 3 | |
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| 14813 775 777 780 781 3 | |
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| 14858 792 793 797 798 3 | |
| 14859 792 793 797 801 3 | |
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| 14862 792 795 799 800 3 | |
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| 14864 796 795 799 800 3 | |
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| 14866 793 797 801 799 3 | |
| 14867 793 797 801 802 3 | |
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| 14876 787 804 806 807 3 | |
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| 14885 807 806 808 811 3 | |
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| 14898 811 813 815 830 3 | |
| 14899 814 813 815 816 3 | |
| 14900 814 813 815 817 3 | |
| 14901 814 813 815 830 3 | |
| 14902 813 815 817 819 3 dih_ILE_chi1_N_C_C_C | |
| 14903 813 815 817 822 3 dih_ILE_chi1_N_C_C_C | |
| 14904 830 815 817 819 3 dih_ILE_chi1_C_C_C_CO | |
| 14905 830 815 817 822 3 dih_ILE_chi1_C_C_C_CO | |
| 14906 813 815 817 818 3 | |
| 14907 816 815 817 818 3 | |
| 14908 816 815 817 819 3 | |
| 14909 816 815 817 822 3 | |
| 14910 830 815 817 818 3 | |
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| 14916 817 815 830 832 3 | |
| 14917 815 817 819 820 3 | |
| 14918 815 817 819 821 3 | |
| 14919 815 817 819 826 3 | |
| 14920 818 817 819 820 3 | |
| 14921 818 817 819 821 3 | |
| 14922 818 817 819 826 3 | |
| 14923 822 817 819 820 3 | |
| 14924 822 817 819 821 3 | |
| 14925 822 817 819 826 3 | |
| 14926 815 817 822 823 3 | |
| 14927 815 817 822 824 3 | |
| 14928 815 817 822 825 3 | |
| 14929 818 817 822 823 3 | |
| 14930 818 817 822 824 3 | |
| 14931 818 817 822 825 3 | |
| 14932 819 817 822 823 3 | |
| 14933 819 817 822 824 3 | |
| 14934 819 817 822 825 3 | |
| 14935 817 819 826 827 3 | |
| 14936 817 819 826 828 3 | |
| 14937 817 819 826 829 3 | |
| 14938 820 819 826 827 3 | |
| 14939 820 819 826 828 3 | |
| 14940 820 819 826 829 3 | |
| 14941 821 819 826 827 3 | |
| 14942 821 819 826 828 3 | |
| 14943 821 819 826 829 3 | |
| 14944 815 830 832 833 3 | |
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| 14946 831 830 832 833 3 | |
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| 14948 830 832 834 835 3 | |
| 14949 830 832 834 836 3 | |
| 14950 830 832 834 849 3 | |
| 14951 833 832 834 835 3 | |
| 14952 833 832 834 836 3 | |
| 14953 833 832 834 849 3 | |
| 14954 832 834 836 839 3 dih_LEU_chi1_N_C_C_C | |
| 14955 849 834 836 839 3 dih_LEU_chi1_C_C_C_CO | |
| 14956 832 834 836 837 3 | |
| 14957 832 834 836 838 3 | |
| 14958 835 834 836 837 3 | |
| 14959 835 834 836 838 3 | |
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| 14963 832 834 849 850 3 | |
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| 14969 834 836 839 840 3 | |
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| 14987 836 839 845 846 3 | |
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| 14990 840 839 845 846 3 | |
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| 14992 840 839 845 848 3 | |
| 14993 841 839 845 846 3 | |
| 14994 841 839 845 847 3 | |
| 14995 841 839 845 848 3 | |
| 14996 834 849 851 852 3 | |
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| 14998 850 849 851 852 3 | |
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| 15002 849 851 853 866 3 | |
| 15003 852 851 853 854 3 | |
| 15004 852 851 853 855 3 | |
| 15005 852 851 853 866 3 | |
| 15006 851 853 855 858 3 dih_GLN_chi1_N_C_C_C | |
| 15007 866 853 855 858 3 dih_GLN_chi1_C_C_C_CO | |
| 15008 851 853 855 856 3 | |
| 15009 851 853 855 857 3 | |
| 15010 854 853 855 856 3 | |
| 15011 854 853 855 857 3 | |
| 15012 854 853 855 858 3 | |
| 15013 866 853 855 856 3 | |
| 15014 866 853 855 857 3 | |
| 15015 851 853 866 867 3 | |
| 15016 851 853 866 868 3 | |
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| 15021 853 855 858 859 3 | |
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| 15023 853 855 858 861 3 | |
| 15024 856 855 858 859 3 | |
| 15025 856 855 858 860 3 | |
| 15026 856 855 858 861 3 | |
| 15027 857 855 858 859 3 | |
| 15028 857 855 858 860 3 | |
| 15029 857 855 858 861 3 | |
| 15030 855 858 861 863 3 dih_GLN_chi3_C_C_CO_N | |
| 15031 855 858 861 862 3 | |
| 15032 859 858 861 862 3 | |
| 15033 859 858 861 863 3 | |
| 15034 860 858 861 862 3 | |
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| 15036 858 861 863 864 3 | |
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| 15040 853 866 868 869 3 | |
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| 15042 867 866 868 869 3 | |
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| 15045 866 868 870 872 3 | |
| 15046 866 868 870 885 3 | |
| 15047 869 868 870 871 3 | |
| 15048 869 868 870 872 3 | |
| 15049 869 868 870 885 3 | |
| 15050 868 870 872 874 3 dih_ILE_chi1_N_C_C_C | |
| 15051 868 870 872 877 3 dih_ILE_chi1_N_C_C_C | |
| 15052 885 870 872 874 3 dih_ILE_chi1_C_C_C_CO | |
| 15053 885 870 872 877 3 dih_ILE_chi1_C_C_C_CO | |
| 15054 868 870 872 873 3 | |
| 15055 871 870 872 873 3 | |
| 15056 871 870 872 874 3 | |
| 15057 871 870 872 877 3 | |
| 15058 885 870 872 873 3 | |
| 15059 868 870 885 886 3 | |
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| 15063 872 870 885 886 3 | |
| 15064 872 870 885 887 3 | |
| 15065 870 872 874 875 3 | |
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| 15067 870 872 874 881 3 | |
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| 15092 870 885 887 888 3 | |
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| 15099 888 887 889 890 3 | |
| 15100 888 887 889 891 3 | |
| 15101 888 887 889 899 3 | |
| 15102 887 889 891 894 3 dih_ASN_chi1_N_C_C_C | |
| 15103 899 889 891 894 3 dih_ASN_chi1_C_C_C_CO | |
| 15104 887 889 891 892 3 | |
| 15105 887 889 891 893 3 | |
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| 15111 887 889 899 900 3 | |
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| 15114 890 889 899 901 3 | |
| 15115 891 889 899 900 3 | |
| 15116 891 889 899 901 3 | |
| 15117 889 891 894 896 3 dih_ASN_chi2_C_C_CO_N | |
| 15118 889 891 894 895 3 | |
| 15119 892 891 894 895 3 | |
| 15120 892 891 894 896 3 | |
| 15121 893 891 894 895 3 | |
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| 15127 889 899 901 902 3 | |
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| 15129 900 899 901 902 3 | |
| 15130 900 899 901 903 3 | |
| 15131 899 901 903 904 3 | |
| 15132 899 901 903 905 3 | |
| 15133 899 901 903 910 3 | |
| 15134 902 901 903 904 3 | |
| 15135 902 901 903 905 3 | |
| 15136 902 901 903 910 3 | |
| 15137 901 903 905 908 3 dih_SER_THR_chi1_N_C_C_O | |
| 15138 910 903 905 908 3 dih_SER_THR_chi1_CO_C_C_O | |
| 15139 901 903 905 906 3 | |
| 15140 901 903 905 907 3 | |
| 15141 904 903 905 906 3 | |
| 15142 904 903 905 907 3 | |
| 15143 904 903 905 908 3 | |
| 15144 910 903 905 906 3 | |
| 15145 910 903 905 907 3 | |
| 15146 901 903 910 911 3 | |
| 15147 901 903 910 912 3 | |
| 15148 904 903 910 911 3 | |
| 15149 904 903 910 912 3 | |
| 15150 905 903 910 911 3 | |
| 15151 905 903 910 912 3 | |
| 15152 903 905 908 909 3 dih_SER_THR_chi2_C_C_OH_HO | |
| 15153 906 905 908 909 3 | |
| 15154 907 905 908 909 3 | |
| 15155 903 910 912 913 3 | |
| 15156 903 910 912 914 3 | |
| 15157 911 910 912 913 3 | |
| 15158 911 910 912 914 3 | |
| 15159 910 912 914 915 3 | |
| 15160 910 912 914 916 3 | |
| 15161 910 912 914 934 3 | |
| 15162 913 912 914 915 3 | |
| 15163 913 912 914 916 3 | |
| 15164 913 912 914 934 3 | |
| 15165 912 914 916 919 3 dih_ARG_chi1_N_C_C_C | |
| 15166 934 914 916 919 3 dih_ARG_chi1_C_C_C_CO | |
| 15167 912 914 916 917 3 | |
| 15168 912 914 916 918 3 | |
| 15169 915 914 916 917 3 | |
| 15170 915 914 916 918 3 | |
| 15171 915 914 916 919 3 | |
| 15172 934 914 916 917 3 | |
| 15173 934 914 916 918 3 | |
| 15174 912 914 934 935 3 | |
| 15175 912 914 934 936 3 | |
| 15176 915 914 934 935 3 | |
| 15177 915 914 934 936 3 | |
| 15178 916 914 934 935 3 | |
| 15179 916 914 934 936 3 | |
| 15180 914 916 919 920 3 | |
| 15181 914 916 919 921 3 | |
| 15182 914 916 919 922 3 | |
| 15183 917 916 919 920 3 | |
| 15184 917 916 919 921 3 | |
| 15185 917 916 919 922 3 | |
| 15186 918 916 919 920 3 | |
| 15187 918 916 919 921 3 | |
| 15188 918 916 919 922 3 | |
| 15189 916 919 922 923 3 | |
| 15190 916 919 922 924 3 | |
| 15191 916 919 922 925 3 | |
| 15192 920 919 922 923 3 | |
| 15193 920 919 922 924 3 | |
| 15194 920 919 922 925 3 | |
| 15195 921 919 922 923 3 | |
| 15196 921 919 922 924 3 | |
| 15197 921 919 922 925 3 | |
| 15198 919 922 925 926 3 | |
| 15199 919 922 925 927 3 | |
| 15200 923 922 925 926 3 | |
| 15201 923 922 925 927 3 | |
| 15202 924 922 925 926 3 | |
| 15203 924 922 925 927 3 | |
| 15204 922 925 927 928 3 | |
| 15205 922 925 927 931 3 | |
| 15206 926 925 927 928 3 | |
| 15207 926 925 927 931 3 | |
| 15208 925 927 928 929 3 | |
| 15209 925 927 928 930 3 | |
| 15210 931 927 928 929 3 | |
| 15211 931 927 928 930 3 | |
| 15212 925 927 931 932 3 | |
| 15213 925 927 931 933 3 | |
| 15214 928 927 931 932 3 | |
| 15215 928 927 931 933 3 | |
| 15216 914 934 936 937 3 | |
| 15217 914 934 936 938 3 | |
| 15218 935 934 936 937 3 | |
| 15219 935 934 936 938 3 | |
| 15220 934 936 938 939 3 | |
| 15221 934 936 938 940 3 | |
| 15222 934 936 938 958 3 | |
| 15223 937 936 938 939 3 | |
| 15224 937 936 938 940 3 | |
| 15225 937 936 938 958 3 | |
| 15226 936 938 940 943 3 dih_TRP_chi1_N_C_C_C | |
| 15227 958 938 940 943 3 dih_TRP_chi1_C_C_C_CO | |
| 15228 936 938 940 941 3 | |
| 15229 936 938 940 942 3 | |
| 15230 939 938 940 941 3 | |
| 15231 939 938 940 942 3 | |
| 15232 939 938 940 943 3 | |
| 15233 958 938 940 941 3 | |
| 15234 958 938 940 942 3 | |
| 15235 936 938 958 959 3 | |
| 15236 936 938 958 960 3 | |
| 15237 939 938 958 959 3 | |
| 15238 939 938 958 960 3 | |
| 15239 940 938 958 959 3 | |
| 15240 940 938 958 960 3 | |
| 15241 938 940 943 944 3 | |
| 15242 938 940 943 946 3 | |
| 15243 941 940 943 944 3 | |
| 15244 941 940 943 946 3 | |
| 15245 942 940 943 944 3 | |
| 15246 942 940 943 946 3 | |
| 15247 940 943 944 945 3 | |
| 15248 940 943 944 947 3 | |
| 15249 946 943 944 945 3 | |
| 15250 946 943 944 947 3 | |
| 15251 940 943 946 949 3 | |
| 15252 940 943 946 950 3 | |
| 15253 944 943 946 949 3 | |
| 15254 944 943 946 950 3 | |
| 15255 943 944 947 948 3 | |
| 15256 943 944 947 949 3 | |
| 15257 945 944 947 948 3 | |
| 15258 945 944 947 949 3 | |
| 15259 943 946 949 947 3 | |
| 15260 943 946 949 952 3 | |
| 15261 950 946 949 947 3 | |
| 15262 950 946 949 952 3 | |
| 15263 943 946 950 951 3 | |
| 15264 943 946 950 954 3 | |
| 15265 949 946 950 951 3 | |
| 15266 949 946 950 954 3 | |
| 15267 944 947 949 946 3 | |
| 15268 944 947 949 952 3 | |
| 15269 948 947 949 946 3 | |
| 15270 948 947 949 952 3 | |
| 15271 946 949 952 953 3 | |
| 15272 946 949 952 956 3 | |
| 15273 947 949 952 953 3 | |
| 15274 947 949 952 956 3 | |
| 15275 946 950 954 955 3 | |
| 15276 946 950 954 956 3 | |
| 15277 951 950 954 955 3 | |
| 15278 951 950 954 956 3 | |
| 15279 949 952 956 954 3 | |
| 15280 949 952 956 957 3 | |
| 15281 953 952 956 954 3 | |
| 15282 953 952 956 957 3 | |
| 15283 950 954 956 952 3 | |
| 15284 950 954 956 957 3 | |
| 15285 955 954 956 952 3 | |
| 15286 955 954 956 957 3 | |
| 15287 938 958 960 961 3 | |
| 15288 938 958 960 962 3 | |
| 15289 959 958 960 961 3 | |
| 15290 959 958 960 962 3 | |
| 15291 958 960 962 963 3 | |
| 15292 958 960 962 964 3 | |
| 15293 958 960 962 982 3 | |
| 15294 961 960 962 963 3 | |
| 15295 961 960 962 964 3 | |
| 15296 961 960 962 982 3 | |
| 15297 960 962 964 967 3 dih_TRP_chi1_N_C_C_C | |
| 15298 982 962 964 967 3 dih_TRP_chi1_C_C_C_CO | |
| 15299 960 962 964 965 3 | |
| 15300 960 962 964 966 3 | |
| 15301 963 962 964 965 3 | |
| 15302 963 962 964 966 3 | |
| 15303 963 962 964 967 3 | |
| 15304 982 962 964 965 3 | |
| 15305 982 962 964 966 3 | |
| 15306 960 962 982 983 3 | |
| 15307 960 962 982 984 3 | |
| 15308 963 962 982 983 3 | |
| 15309 963 962 982 984 3 | |
| 15310 964 962 982 983 3 | |
| 15311 964 962 982 984 3 | |
| 15312 962 964 967 968 3 | |
| 15313 962 964 967 970 3 | |
| 15314 965 964 967 968 3 | |
| 15315 965 964 967 970 3 | |
| 15316 966 964 967 968 3 | |
| 15317 966 964 967 970 3 | |
| 15318 964 967 968 969 3 | |
| 15319 964 967 968 971 3 | |
| 15320 970 967 968 969 3 | |
| 15321 970 967 968 971 3 | |
| 15322 964 967 970 973 3 | |
| 15323 964 967 970 974 3 | |
| 15324 968 967 970 973 3 | |
| 15325 968 967 970 974 3 | |
| 15326 967 968 971 972 3 | |
| 15327 967 968 971 973 3 | |
| 15328 969 968 971 972 3 | |
| 15329 969 968 971 973 3 | |
| 15330 967 970 973 971 3 | |
| 15331 967 970 973 976 3 | |
| 15332 974 970 973 971 3 | |
| 15333 974 970 973 976 3 | |
| 15334 967 970 974 975 3 | |
| 15335 967 970 974 978 3 | |
| 15336 973 970 974 975 3 | |
| 15337 973 970 974 978 3 | |
| 15338 968 971 973 970 3 | |
| 15339 968 971 973 976 3 | |
| 15340 972 971 973 970 3 | |
| 15341 972 971 973 976 3 | |
| 15342 970 973 976 977 3 | |
| 15343 970 973 976 980 3 | |
| 15344 971 973 976 977 3 | |
| 15345 971 973 976 980 3 | |
| 15346 970 974 978 979 3 | |
| 15347 970 974 978 980 3 | |
| 15348 975 974 978 979 3 | |
| 15349 975 974 978 980 3 | |
| 15350 973 976 980 978 3 | |
| 15351 973 976 980 981 3 | |
| 15352 977 976 980 978 3 | |
| 15353 977 976 980 981 3 | |
| 15354 974 978 980 976 3 | |
| 15355 974 978 980 981 3 | |
| 15356 979 978 980 976 3 | |
| 15357 979 978 980 981 3 | |
| 15358 962 982 984 985 3 | |
| 15359 962 982 984 986 3 | |
| 15360 983 982 984 985 3 | |
| 15361 983 982 984 986 3 | |
| 15362 982 984 986 987 3 | |
| 15363 982 984 986 988 3 | |
| 15364 982 984 986 992 3 | |
| 15365 985 984 986 987 3 | |
| 15366 985 984 986 988 3 | |
| 15367 985 984 986 992 3 | |
| 15368 984 986 988 991 3 dih_CYS_chi1_N_C_C_S | |
| 15369 992 986 988 991 3 dih_CYS_chi1_CO_C_C_S | |
| 15370 984 986 988 989 3 | |
| 15371 984 986 988 990 3 | |
| 15372 987 986 988 989 3 | |
| 15373 987 986 988 990 3 | |
| 15374 987 986 988 991 3 | |
| 15375 992 986 988 989 3 | |
| 15376 992 986 988 990 3 | |
| 15377 984 986 992 993 3 | |
| 15378 984 986 992 994 3 | |
| 15379 987 986 992 993 3 | |
| 15380 987 986 992 994 3 | |
| 15381 988 986 992 993 3 | |
| 15382 988 986 992 994 3 | |
| 15383 986 988 991 1218 3 | |
| 15384 989 988 991 1218 3 | |
| 15385 990 988 991 1218 3 | |
| 15386 988 991 1218 1215 3 | |
| 15387 986 992 994 995 3 | |
| 15388 986 992 994 996 3 | |
| 15389 993 992 994 995 3 | |
| 15390 993 992 994 996 3 | |
| 15391 992 994 996 997 3 | |
| 15392 992 994 996 998 3 | |
| 15393 992 994 996 1006 3 | |
| 15394 995 994 996 997 3 | |
| 15395 995 994 996 998 3 | |
| 15396 995 994 996 1006 3 | |
| 15397 994 996 998 1001 3 dih_ASN_chi1_N_C_C_C | |
| 15398 1006 996 998 1001 3 dih_ASN_chi1_C_C_C_CO | |
| 15399 994 996 998 999 3 | |
| 15400 994 996 998 1000 3 | |
| 15401 997 996 998 999 3 | |
| 15402 997 996 998 1000 3 | |
| 15403 997 996 998 1001 3 | |
| 15404 1006 996 998 999 3 | |
| 15405 1006 996 998 1000 3 | |
| 15406 994 996 1006 1007 3 | |
| 15407 994 996 1006 1008 3 | |
| 15408 997 996 1006 1007 3 | |
| 15409 997 996 1006 1008 3 | |
| 15410 998 996 1006 1007 3 | |
| 15411 998 996 1006 1008 3 | |
| 15412 996 998 1001 1003 3 dih_ASN_chi2_C_C_CO_N | |
| 15413 996 998 1001 1002 3 | |
| 15414 999 998 1001 1002 3 | |
| 15415 999 998 1001 1003 3 | |
| 15416 1000 998 1001 1002 3 | |
| 15417 1000 998 1001 1003 3 | |
| 15418 998 1001 1003 1004 3 | |
| 15419 998 1001 1003 1005 3 | |
| 15420 1002 1001 1003 1004 3 | |
| 15421 1002 1001 1003 1005 3 | |
| 15422 996 1006 1008 1009 3 | |
| 15423 996 1006 1008 1010 3 | |
| 15424 1007 1006 1008 1009 3 | |
| 15425 1007 1006 1008 1010 3 | |
| 15426 1006 1008 1010 1011 3 | |
| 15427 1006 1008 1010 1012 3 | |
| 15428 1006 1008 1010 1018 3 | |
| 15429 1009 1008 1010 1011 3 | |
| 15430 1009 1008 1010 1012 3 | |
| 15431 1009 1008 1010 1018 3 | |
| 15432 1008 1010 1012 1015 3 dih_ASP_chi1_N_C_C_C | |
| 15433 1018 1010 1012 1015 3 dih_ASP_chi1_C_C_C_CO | |
| 15434 1008 1010 1012 1013 3 | |
| 15435 1008 1010 1012 1014 3 | |
| 15436 1011 1010 1012 1013 3 | |
| 15437 1011 1010 1012 1014 3 | |
| 15438 1011 1010 1012 1015 3 | |
| 15439 1018 1010 1012 1013 3 | |
| 15440 1018 1010 1012 1014 3 | |
| 15441 1008 1010 1018 1019 3 | |
| 15442 1008 1010 1018 1020 3 | |
| 15443 1011 1010 1018 1019 3 | |
| 15444 1011 1010 1018 1020 3 | |
| 15445 1012 1010 1018 1019 3 | |
| 15446 1012 1010 1018 1020 3 | |
| 15447 1010 1012 1015 1016 3 | |
| 15448 1010 1012 1015 1017 3 | |
| 15449 1013 1012 1015 1016 3 | |
| 15450 1013 1012 1015 1017 3 | |
| 15451 1014 1012 1015 1016 3 | |
| 15452 1014 1012 1015 1017 3 | |
| 15453 1010 1018 1020 1021 3 | |
| 15454 1010 1018 1020 1022 3 | |
| 15455 1019 1018 1020 1021 3 | |
| 15456 1019 1018 1020 1022 3 | |
| 15457 1018 1020 1022 1023 3 | |
| 15458 1018 1020 1022 1024 3 | |
| 15459 1018 1020 1022 1025 3 | |
| 15460 1021 1020 1022 1023 3 | |
| 15461 1021 1020 1022 1024 3 | |
| 15462 1021 1020 1022 1025 3 | |
| 15463 1020 1022 1025 1026 3 | |
| 15464 1020 1022 1025 1027 3 | |
| 15465 1023 1022 1025 1026 3 | |
| 15466 1023 1022 1025 1027 3 | |
| 15467 1024 1022 1025 1026 3 | |
| 15468 1024 1022 1025 1027 3 | |
| 15469 1022 1025 1027 1028 3 | |
| 15470 1022 1025 1027 1029 3 | |
| 15471 1026 1025 1027 1028 3 | |
| 15472 1026 1025 1027 1029 3 | |
| 15473 1025 1027 1029 1030 3 | |
| 15474 1025 1027 1029 1031 3 | |
| 15475 1025 1027 1029 1049 3 | |
| 15476 1028 1027 1029 1030 3 | |
| 15477 1028 1027 1029 1031 3 | |
| 15478 1028 1027 1029 1049 3 | |
| 15479 1027 1029 1031 1034 3 dih_ARG_chi1_N_C_C_C | |
| 15480 1049 1029 1031 1034 3 dih_ARG_chi1_C_C_C_CO | |
| 15481 1027 1029 1031 1032 3 | |
| 15482 1027 1029 1031 1033 3 | |
| 15483 1030 1029 1031 1032 3 | |
| 15484 1030 1029 1031 1033 3 | |
| 15485 1030 1029 1031 1034 3 | |
| 15486 1049 1029 1031 1032 3 | |
| 15487 1049 1029 1031 1033 3 | |
| 15488 1027 1029 1049 1050 3 | |
| 15489 1027 1029 1049 1051 3 | |
| 15490 1030 1029 1049 1050 3 | |
| 15491 1030 1029 1049 1051 3 | |
| 15492 1031 1029 1049 1050 3 | |
| 15493 1031 1029 1049 1051 3 | |
| 15494 1029 1031 1034 1035 3 | |
| 15495 1029 1031 1034 1036 3 | |
| 15496 1029 1031 1034 1037 3 | |
| 15497 1032 1031 1034 1035 3 | |
| 15498 1032 1031 1034 1036 3 | |
| 15499 1032 1031 1034 1037 3 | |
| 15500 1033 1031 1034 1035 3 | |
| 15501 1033 1031 1034 1036 3 | |
| 15502 1033 1031 1034 1037 3 | |
| 15503 1031 1034 1037 1038 3 | |
| 15504 1031 1034 1037 1039 3 | |
| 15505 1031 1034 1037 1040 3 | |
| 15506 1035 1034 1037 1038 3 | |
| 15507 1035 1034 1037 1039 3 | |
| 15508 1035 1034 1037 1040 3 | |
| 15509 1036 1034 1037 1038 3 | |
| 15510 1036 1034 1037 1039 3 | |
| 15511 1036 1034 1037 1040 3 | |
| 15512 1034 1037 1040 1041 3 | |
| 15513 1034 1037 1040 1042 3 | |
| 15514 1038 1037 1040 1041 3 | |
| 15515 1038 1037 1040 1042 3 | |
| 15516 1039 1037 1040 1041 3 | |
| 15517 1039 1037 1040 1042 3 | |
| 15518 1037 1040 1042 1043 3 | |
| 15519 1037 1040 1042 1046 3 | |
| 15520 1041 1040 1042 1043 3 | |
| 15521 1041 1040 1042 1046 3 | |
| 15522 1040 1042 1043 1044 3 | |
| 15523 1040 1042 1043 1045 3 | |
| 15524 1046 1042 1043 1044 3 | |
| 15525 1046 1042 1043 1045 3 | |
| 15526 1040 1042 1046 1047 3 | |
| 15527 1040 1042 1046 1048 3 | |
| 15528 1043 1042 1046 1047 3 | |
| 15529 1043 1042 1046 1048 3 | |
| 15530 1029 1049 1051 1052 3 | |
| 15531 1029 1049 1051 1053 3 | |
| 15532 1050 1049 1051 1052 3 | |
| 15533 1050 1049 1051 1053 3 | |
| 15534 1049 1051 1053 1054 3 | |
| 15535 1049 1051 1053 1055 3 | |
| 15536 1049 1051 1053 1063 3 | |
| 15537 1052 1051 1053 1054 3 | |
| 15538 1052 1051 1053 1055 3 | |
| 15539 1052 1051 1053 1063 3 | |
| 15540 1051 1053 1055 1057 3 dih_SER_THR_chi1_N_C_C_O | |
| 15541 1063 1053 1055 1057 3 dih_SER_THR_chi1_CO_C_C_O | |
| 15542 1051 1053 1055 1056 3 | |
| 15543 1051 1053 1055 1059 3 | |
| 15544 1054 1053 1055 1056 3 | |
| 15545 1054 1053 1055 1057 3 | |
| 15546 1054 1053 1055 1059 3 | |
| 15547 1063 1053 1055 1056 3 | |
| 15548 1063 1053 1055 1059 3 | |
| 15549 1051 1053 1063 1064 3 | |
| 15550 1051 1053 1063 1065 3 | |
| 15551 1054 1053 1063 1064 3 | |
| 15552 1054 1053 1063 1065 3 | |
| 15553 1055 1053 1063 1064 3 | |
| 15554 1055 1053 1063 1065 3 | |
| 15555 1053 1055 1057 1058 3 dih_SER_THR_chi2_C_C_OH_HO | |
| 15556 1056 1055 1057 1058 3 | |
| 15557 1059 1055 1057 1058 3 | |
| 15558 1053 1055 1059 1060 3 | |
| 15559 1053 1055 1059 1061 3 | |
| 15560 1053 1055 1059 1062 3 | |
| 15561 1056 1055 1059 1060 3 | |
| 15562 1056 1055 1059 1061 3 | |
| 15563 1056 1055 1059 1062 3 | |
| 15564 1057 1055 1059 1060 3 | |
| 15565 1057 1055 1059 1061 3 | |
| 15566 1057 1055 1059 1062 3 | |
| 15567 1053 1063 1065 1066 3 | |
| 15568 1053 1063 1065 1074 3 | |
| 15569 1064 1063 1065 1066 3 | |
| 15570 1064 1063 1065 1074 3 | |
| 15571 1063 1065 1066 1067 3 | |
| 15572 1063 1065 1066 1068 3 | |
| 15573 1063 1065 1066 1077 3 | |
| 15574 1074 1065 1066 1067 3 | |
| 15575 1074 1065 1066 1068 3 | |
| 15576 1074 1065 1066 1077 3 | |
| 15577 1063 1065 1074 1071 3 | |
| 15578 1063 1065 1074 1075 3 | |
| 15579 1063 1065 1074 1076 3 | |
| 15580 1066 1065 1074 1071 3 | |
| 15581 1066 1065 1074 1075 3 | |
| 15582 1066 1065 1074 1076 3 | |
| 15583 1065 1066 1068 1069 3 | |
| 15584 1065 1066 1068 1070 3 | |
| 15585 1065 1066 1068 1071 3 | |
| 15586 1067 1066 1068 1069 3 | |
| 15587 1067 1066 1068 1070 3 | |
| 15588 1067 1066 1068 1071 3 | |
| 15589 1077 1066 1068 1069 3 | |
| 15590 1077 1066 1068 1070 3 | |
| 15591 1077 1066 1068 1071 3 | |
| 15592 1065 1066 1077 1078 3 | |
| 15593 1065 1066 1077 1079 3 | |
| 15594 1067 1066 1077 1078 3 | |
| 15595 1067 1066 1077 1079 3 | |
| 15596 1068 1066 1077 1078 3 | |
| 15597 1068 1066 1077 1079 3 | |
| 15598 1066 1068 1071 1072 3 | |
| 15599 1066 1068 1071 1073 3 | |
| 15600 1066 1068 1071 1074 3 | |
| 15601 1069 1068 1071 1072 3 | |
| 15602 1069 1068 1071 1073 3 | |
| 15603 1069 1068 1071 1074 3 | |
| 15604 1070 1068 1071 1072 3 | |
| 15605 1070 1068 1071 1073 3 | |
| 15606 1070 1068 1071 1074 3 | |
| 15607 1068 1071 1074 1065 3 | |
| 15608 1068 1071 1074 1075 3 | |
| 15609 1068 1071 1074 1076 3 | |
| 15610 1072 1071 1074 1065 3 | |
| 15611 1072 1071 1074 1075 3 | |
| 15612 1072 1071 1074 1076 3 | |
| 15613 1073 1071 1074 1065 3 | |
| 15614 1073 1071 1074 1075 3 | |
| 15615 1073 1071 1074 1076 3 | |
| 15616 1066 1077 1079 1080 3 | |
| 15617 1066 1077 1079 1081 3 | |
| 15618 1078 1077 1079 1080 3 | |
| 15619 1078 1077 1079 1081 3 | |
| 15620 1077 1079 1081 1082 3 | |
| 15621 1077 1079 1081 1083 3 | |
| 15622 1077 1079 1081 1084 3 | |
| 15623 1080 1079 1081 1082 3 | |
| 15624 1080 1079 1081 1083 3 | |
| 15625 1080 1079 1081 1084 3 | |
| 15626 1079 1081 1084 1085 3 | |
| 15627 1079 1081 1084 1086 3 | |
| 15628 1082 1081 1084 1085 3 | |
| 15629 1082 1081 1084 1086 3 | |
| 15630 1083 1081 1084 1085 3 | |
| 15631 1083 1081 1084 1086 3 | |
| 15632 1081 1084 1086 1087 3 | |
| 15633 1081 1084 1086 1088 3 | |
| 15634 1085 1084 1086 1087 3 | |
| 15635 1085 1084 1086 1088 3 | |
| 15636 1084 1086 1088 1089 3 | |
| 15637 1084 1086 1088 1090 3 | |
| 15638 1084 1086 1088 1095 3 | |
| 15639 1087 1086 1088 1089 3 | |
| 15640 1087 1086 1088 1090 3 | |
| 15641 1087 1086 1088 1095 3 | |
| 15642 1086 1088 1090 1093 3 dih_SER_THR_chi1_N_C_C_O | |
| 15643 1095 1088 1090 1093 3 dih_SER_THR_chi1_CO_C_C_O | |
| 15644 1086 1088 1090 1091 3 | |
| 15645 1086 1088 1090 1092 3 | |
| 15646 1089 1088 1090 1091 3 | |
| 15647 1089 1088 1090 1092 3 | |
| 15648 1089 1088 1090 1093 3 | |
| 15649 1095 1088 1090 1091 3 | |
| 15650 1095 1088 1090 1092 3 | |
| 15651 1086 1088 1095 1096 3 | |
| 15652 1086 1088 1095 1097 3 | |
| 15653 1089 1088 1095 1096 3 | |
| 15654 1089 1088 1095 1097 3 | |
| 15655 1090 1088 1095 1096 3 | |
| 15656 1090 1088 1095 1097 3 | |
| 15657 1088 1090 1093 1094 3 dih_SER_THR_chi2_C_C_OH_HO | |
| 15658 1091 1090 1093 1094 3 | |
| 15659 1092 1090 1093 1094 3 | |
| 15660 1088 1095 1097 1098 3 | |
| 15661 1088 1095 1097 1099 3 | |
| 15662 1096 1095 1097 1098 3 | |
| 15663 1096 1095 1097 1099 3 | |
| 15664 1095 1097 1099 1100 3 | |
| 15665 1095 1097 1099 1101 3 | |
| 15666 1095 1097 1099 1119 3 | |
| 15667 1098 1097 1099 1100 3 | |
| 15668 1098 1097 1099 1101 3 | |
| 15669 1098 1097 1099 1119 3 | |
| 15670 1097 1099 1101 1104 3 dih_ARG_chi1_N_C_C_C | |
| 15671 1119 1099 1101 1104 3 dih_ARG_chi1_C_C_C_CO | |
| 15672 1097 1099 1101 1102 3 | |
| 15673 1097 1099 1101 1103 3 | |
| 15674 1100 1099 1101 1102 3 | |
| 15675 1100 1099 1101 1103 3 | |
| 15676 1100 1099 1101 1104 3 | |
| 15677 1119 1099 1101 1102 3 | |
| 15678 1119 1099 1101 1103 3 | |
| 15679 1097 1099 1119 1120 3 | |
| 15680 1097 1099 1119 1121 3 | |
| 15681 1100 1099 1119 1120 3 | |
| 15682 1100 1099 1119 1121 3 | |
| 15683 1101 1099 1119 1120 3 | |
| 15684 1101 1099 1119 1121 3 | |
| 15685 1099 1101 1104 1105 3 | |
| 15686 1099 1101 1104 1106 3 | |
| 15687 1099 1101 1104 1107 3 | |
| 15688 1102 1101 1104 1105 3 | |
| 15689 1102 1101 1104 1106 3 | |
| 15690 1102 1101 1104 1107 3 | |
| 15691 1103 1101 1104 1105 3 | |
| 15692 1103 1101 1104 1106 3 | |
| 15693 1103 1101 1104 1107 3 | |
| 15694 1101 1104 1107 1108 3 | |
| 15695 1101 1104 1107 1109 3 | |
| 15696 1101 1104 1107 1110 3 | |
| 15697 1105 1104 1107 1108 3 | |
| 15698 1105 1104 1107 1109 3 | |
| 15699 1105 1104 1107 1110 3 | |
| 15700 1106 1104 1107 1108 3 | |
| 15701 1106 1104 1107 1109 3 | |
| 15702 1106 1104 1107 1110 3 | |
| 15703 1104 1107 1110 1111 3 | |
| 15704 1104 1107 1110 1112 3 | |
| 15705 1108 1107 1110 1111 3 | |
| 15706 1108 1107 1110 1112 3 | |
| 15707 1109 1107 1110 1111 3 | |
| 15708 1109 1107 1110 1112 3 | |
| 15709 1107 1110 1112 1113 3 | |
| 15710 1107 1110 1112 1116 3 | |
| 15711 1111 1110 1112 1113 3 | |
| 15712 1111 1110 1112 1116 3 | |
| 15713 1110 1112 1113 1114 3 | |
| 15714 1110 1112 1113 1115 3 | |
| 15715 1116 1112 1113 1114 3 | |
| 15716 1116 1112 1113 1115 3 | |
| 15717 1110 1112 1116 1117 3 | |
| 15718 1110 1112 1116 1118 3 | |
| 15719 1113 1112 1116 1117 3 | |
| 15720 1113 1112 1116 1118 3 | |
| 15721 1099 1119 1121 1122 3 | |
| 15722 1099 1119 1121 1123 3 | |
| 15723 1120 1119 1121 1122 3 | |
| 15724 1120 1119 1121 1123 3 | |
| 15725 1119 1121 1123 1124 3 | |
| 15726 1119 1121 1123 1125 3 | |
| 15727 1119 1121 1123 1133 3 | |
| 15728 1122 1121 1123 1124 3 | |
| 15729 1122 1121 1123 1125 3 | |
| 15730 1122 1121 1123 1133 3 | |
| 15731 1121 1123 1125 1128 3 dih_ASN_chi1_N_C_C_C | |
| 15732 1133 1123 1125 1128 3 dih_ASN_chi1_C_C_C_CO | |
| 15733 1121 1123 1125 1126 3 | |
| 15734 1121 1123 1125 1127 3 | |
| 15735 1124 1123 1125 1126 3 | |
| 15736 1124 1123 1125 1127 3 | |
| 15737 1124 1123 1125 1128 3 | |
| 15738 1133 1123 1125 1126 3 | |
| 15739 1133 1123 1125 1127 3 | |
| 15740 1121 1123 1133 1134 3 | |
| 15741 1121 1123 1133 1135 3 | |
| 15742 1124 1123 1133 1134 3 | |
| 15743 1124 1123 1133 1135 3 | |
| 15744 1125 1123 1133 1134 3 | |
| 15745 1125 1123 1133 1135 3 | |
| 15746 1123 1125 1128 1130 3 dih_ASN_chi2_C_C_CO_N | |
| 15747 1123 1125 1128 1129 3 | |
| 15748 1126 1125 1128 1129 3 | |
| 15749 1126 1125 1128 1130 3 | |
| 15750 1127 1125 1128 1129 3 | |
| 15751 1127 1125 1128 1130 3 | |
| 15752 1125 1128 1130 1131 3 | |
| 15753 1125 1128 1130 1132 3 | |
| 15754 1129 1128 1130 1131 3 | |
| 15755 1129 1128 1130 1132 3 | |
| 15756 1123 1133 1135 1136 3 | |
| 15757 1123 1133 1135 1137 3 | |
| 15758 1134 1133 1135 1136 3 | |
| 15759 1134 1133 1135 1137 3 | |
| 15760 1133 1135 1137 1138 3 | |
| 15761 1133 1135 1137 1139 3 | |
| 15762 1133 1135 1137 1152 3 | |
| 15763 1136 1135 1137 1138 3 | |
| 15764 1136 1135 1137 1139 3 | |
| 15765 1136 1135 1137 1152 3 | |
| 15766 1135 1137 1139 1142 3 dih_LEU_chi1_N_C_C_C | |
| 15767 1152 1137 1139 1142 3 dih_LEU_chi1_C_C_C_CO | |
| 15768 1135 1137 1139 1140 3 | |
| 15769 1135 1137 1139 1141 3 | |
| 15770 1138 1137 1139 1140 3 | |
| 15771 1138 1137 1139 1141 3 | |
| 15772 1138 1137 1139 1142 3 | |
| 15773 1152 1137 1139 1140 3 | |
| 15774 1152 1137 1139 1141 3 | |
| 15775 1135 1137 1152 1153 3 | |
| 15776 1135 1137 1152 1154 3 | |
| 15777 1138 1137 1152 1153 3 | |
| 15778 1138 1137 1152 1154 3 | |
| 15779 1139 1137 1152 1153 3 | |
| 15780 1139 1137 1152 1154 3 | |
| 15781 1137 1139 1142 1143 3 | |
| 15782 1137 1139 1142 1144 3 | |
| 15783 1137 1139 1142 1148 3 | |
| 15784 1140 1139 1142 1143 3 | |
| 15785 1140 1139 1142 1144 3 | |
| 15786 1140 1139 1142 1148 3 | |
| 15787 1141 1139 1142 1143 3 | |
| 15788 1141 1139 1142 1144 3 | |
| 15789 1141 1139 1142 1148 3 | |
| 15790 1139 1142 1144 1145 3 | |
| 15791 1139 1142 1144 1146 3 | |
| 15792 1139 1142 1144 1147 3 | |
| 15793 1143 1142 1144 1145 3 | |
| 15794 1143 1142 1144 1146 3 | |
| 15795 1143 1142 1144 1147 3 | |
| 15796 1148 1142 1144 1145 3 | |
| 15797 1148 1142 1144 1146 3 | |
| 15798 1148 1142 1144 1147 3 | |
| 15799 1139 1142 1148 1149 3 | |
| 15800 1139 1142 1148 1150 3 | |
| 15801 1139 1142 1148 1151 3 | |
| 15802 1143 1142 1148 1149 3 | |
| 15803 1143 1142 1148 1150 3 | |
| 15804 1143 1142 1148 1151 3 | |
| 15805 1144 1142 1148 1149 3 | |
| 15806 1144 1142 1148 1150 3 | |
| 15807 1144 1142 1148 1151 3 | |
| 15808 1137 1152 1154 1155 3 | |
| 15809 1137 1152 1154 1156 3 | |
| 15810 1153 1152 1154 1155 3 | |
| 15811 1153 1152 1154 1156 3 | |
| 15812 1152 1154 1156 1157 3 | |
| 15813 1152 1154 1156 1158 3 | |
| 15814 1152 1154 1156 1162 3 | |
| 15815 1155 1154 1156 1157 3 | |
| 15816 1155 1154 1156 1158 3 | |
| 15817 1155 1154 1156 1162 3 | |
| 15818 1154 1156 1158 1161 3 dih_CYS_chi1_N_C_C_S | |
| 15819 1162 1156 1158 1161 3 dih_CYS_chi1_CO_C_C_S | |
| 15820 1154 1156 1158 1159 3 | |
| 15821 1154 1156 1158 1160 3 | |
| 15822 1157 1156 1158 1159 3 | |
| 15823 1157 1156 1158 1160 3 | |
| 15824 1157 1156 1158 1161 3 | |
| 15825 1162 1156 1158 1159 3 | |
| 15826 1162 1156 1158 1160 3 | |
| 15827 1154 1156 1162 1163 3 | |
| 15828 1154 1156 1162 1164 3 | |
| 15829 1157 1156 1162 1163 3 | |
| 15830 1157 1156 1162 1164 3 | |
| 15831 1158 1156 1162 1163 3 | |
| 15832 1158 1156 1162 1164 3 | |
| 15833 1156 1158 1161 1405 3 | |
| 15834 1159 1158 1161 1405 3 | |
| 15835 1160 1158 1161 1405 3 | |
| 15836 1158 1161 1405 1402 3 | |
| 15837 1156 1162 1164 1165 3 | |
| 15838 1156 1162 1164 1166 3 | |
| 15839 1163 1162 1164 1165 3 | |
| 15840 1163 1162 1164 1166 3 | |
| 15841 1162 1164 1166 1167 3 | |
| 15842 1162 1164 1166 1168 3 | |
| 15843 1162 1164 1166 1176 3 | |
| 15844 1165 1164 1166 1167 3 | |
| 15845 1165 1164 1166 1168 3 | |
| 15846 1165 1164 1166 1176 3 | |
| 15847 1164 1166 1168 1171 3 dih_ASN_chi1_N_C_C_C | |
| 15848 1176 1166 1168 1171 3 dih_ASN_chi1_C_C_C_CO | |
| 15849 1164 1166 1168 1169 3 | |
| 15850 1164 1166 1168 1170 3 | |
| 15851 1167 1166 1168 1169 3 | |
| 15852 1167 1166 1168 1170 3 | |
| 15853 1167 1166 1168 1171 3 | |
| 15854 1176 1166 1168 1169 3 | |
| 15855 1176 1166 1168 1170 3 | |
| 15856 1164 1166 1176 1177 3 | |
| 15857 1164 1166 1176 1178 3 | |
| 15858 1167 1166 1176 1177 3 | |
| 15859 1167 1166 1176 1178 3 | |
| 15860 1168 1166 1176 1177 3 | |
| 15861 1168 1166 1176 1178 3 | |
| 15862 1166 1168 1171 1173 3 dih_ASN_chi2_C_C_CO_N | |
| 15863 1166 1168 1171 1172 3 | |
| 15864 1169 1168 1171 1172 3 | |
| 15865 1169 1168 1171 1173 3 | |
| 15866 1170 1168 1171 1172 3 | |
| 15867 1170 1168 1171 1173 3 | |
| 15868 1168 1171 1173 1174 3 | |
| 15869 1168 1171 1173 1175 3 | |
| 15870 1172 1171 1173 1174 3 | |
| 15871 1172 1171 1173 1175 3 | |
| 15872 1166 1176 1178 1179 3 | |
| 15873 1166 1176 1178 1180 3 | |
| 15874 1177 1176 1178 1179 3 | |
| 15875 1177 1176 1178 1180 3 | |
| 15876 1176 1178 1180 1181 3 | |
| 15877 1176 1178 1180 1182 3 | |
| 15878 1176 1178 1180 1195 3 | |
| 15879 1179 1178 1180 1181 3 | |
| 15880 1179 1178 1180 1182 3 | |
| 15881 1179 1178 1180 1195 3 | |
| 15882 1178 1180 1182 1184 3 dih_ILE_chi1_N_C_C_C | |
| 15883 1178 1180 1182 1187 3 dih_ILE_chi1_N_C_C_C | |
| 15884 1195 1180 1182 1184 3 dih_ILE_chi1_C_C_C_CO | |
| 15885 1195 1180 1182 1187 3 dih_ILE_chi1_C_C_C_CO | |
| 15886 1178 1180 1182 1183 3 | |
| 15887 1181 1180 1182 1183 3 | |
| 15888 1181 1180 1182 1184 3 | |
| 15889 1181 1180 1182 1187 3 | |
| 15890 1195 1180 1182 1183 3 | |
| 15891 1178 1180 1195 1196 3 | |
| 15892 1178 1180 1195 1197 3 | |
| 15893 1181 1180 1195 1196 3 | |
| 15894 1181 1180 1195 1197 3 | |
| 15895 1182 1180 1195 1196 3 | |
| 15896 1182 1180 1195 1197 3 | |
| 15897 1180 1182 1184 1185 3 | |
| 15898 1180 1182 1184 1186 3 | |
| 15899 1180 1182 1184 1191 3 | |
| 15900 1183 1182 1184 1185 3 | |
| 15901 1183 1182 1184 1186 3 | |
| 15902 1183 1182 1184 1191 3 | |
| 15903 1187 1182 1184 1185 3 | |
| 15904 1187 1182 1184 1186 3 | |
| 15905 1187 1182 1184 1191 3 | |
| 15906 1180 1182 1187 1188 3 | |
| 15907 1180 1182 1187 1189 3 | |
| 15908 1180 1182 1187 1190 3 | |
| 15909 1183 1182 1187 1188 3 | |
| 15910 1183 1182 1187 1189 3 | |
| 15911 1183 1182 1187 1190 3 | |
| 15912 1184 1182 1187 1188 3 | |
| 15913 1184 1182 1187 1189 3 | |
| 15914 1184 1182 1187 1190 3 | |
| 15915 1182 1184 1191 1192 3 | |
| 15916 1182 1184 1191 1193 3 | |
| 15917 1182 1184 1191 1194 3 | |
| 15918 1185 1184 1191 1192 3 | |
| 15919 1185 1184 1191 1193 3 | |
| 15920 1185 1184 1191 1194 3 | |
| 15921 1186 1184 1191 1192 3 | |
| 15922 1186 1184 1191 1193 3 | |
| 15923 1186 1184 1191 1194 3 | |
| 15924 1180 1195 1197 1198 3 | |
| 15925 1180 1195 1197 1206 3 | |
| 15926 1196 1195 1197 1198 3 | |
| 15927 1196 1195 1197 1206 3 | |
| 15928 1195 1197 1198 1199 3 | |
| 15929 1195 1197 1198 1200 3 | |
| 15930 1195 1197 1198 1209 3 | |
| 15931 1206 1197 1198 1199 3 | |
| 15932 1206 1197 1198 1200 3 | |
| 15933 1206 1197 1198 1209 3 | |
| 15934 1195 1197 1206 1203 3 | |
| 15935 1195 1197 1206 1207 3 | |
| 15936 1195 1197 1206 1208 3 | |
| 15937 1198 1197 1206 1203 3 | |
| 15938 1198 1197 1206 1207 3 | |
| 15939 1198 1197 1206 1208 3 | |
| 15940 1197 1198 1200 1201 3 | |
| 15941 1197 1198 1200 1202 3 | |
| 15942 1197 1198 1200 1203 3 | |
| 15943 1199 1198 1200 1201 3 | |
| 15944 1199 1198 1200 1202 3 | |
| 15945 1199 1198 1200 1203 3 | |
| 15946 1209 1198 1200 1201 3 | |
| 15947 1209 1198 1200 1202 3 | |
| 15948 1209 1198 1200 1203 3 | |
| 15949 1197 1198 1209 1210 3 | |
| 15950 1197 1198 1209 1211 3 | |
| 15951 1199 1198 1209 1210 3 | |
| 15952 1199 1198 1209 1211 3 | |
| 15953 1200 1198 1209 1210 3 | |
| 15954 1200 1198 1209 1211 3 | |
| 15955 1198 1200 1203 1204 3 | |
| 15956 1198 1200 1203 1205 3 | |
| 15957 1198 1200 1203 1206 3 | |
| 15958 1201 1200 1203 1204 3 | |
| 15959 1201 1200 1203 1205 3 | |
| 15960 1201 1200 1203 1206 3 | |
| 15961 1202 1200 1203 1204 3 | |
| 15962 1202 1200 1203 1205 3 | |
| 15963 1202 1200 1203 1206 3 | |
| 15964 1200 1203 1206 1197 3 | |
| 15965 1200 1203 1206 1207 3 | |
| 15966 1200 1203 1206 1208 3 | |
| 15967 1204 1203 1206 1197 3 | |
| 15968 1204 1203 1206 1207 3 | |
| 15969 1204 1203 1206 1208 3 | |
| 15970 1205 1203 1206 1197 3 | |
| 15971 1205 1203 1206 1207 3 | |
| 15972 1205 1203 1206 1208 3 | |
| 15973 1198 1209 1211 1212 3 | |
| 15974 1198 1209 1211 1213 3 | |
| 15975 1210 1209 1211 1212 3 | |
| 15976 1210 1209 1211 1213 3 | |
| 15977 1209 1211 1213 1214 3 | |
| 15978 1209 1211 1213 1215 3 | |
| 15979 1209 1211 1213 1219 3 | |
| 15980 1212 1211 1213 1214 3 | |
| 15981 1212 1211 1213 1215 3 | |
| 15982 1212 1211 1213 1219 3 | |
| 15983 1211 1213 1215 1218 3 dih_CYS_chi1_N_C_C_S | |
| 15984 1219 1213 1215 1218 3 dih_CYS_chi1_CO_C_C_S | |
| 15985 1211 1213 1215 1216 3 | |
| 15986 1211 1213 1215 1217 3 | |
| 15987 1214 1213 1215 1216 3 | |
| 15988 1214 1213 1215 1217 3 | |
| 15989 1214 1213 1215 1218 3 | |
| 15990 1219 1213 1215 1216 3 | |
| 15991 1219 1213 1215 1217 3 | |
| 15992 1211 1213 1219 1220 3 | |
| 15993 1211 1213 1219 1221 3 | |
| 15994 1214 1213 1219 1220 3 | |
| 15995 1214 1213 1219 1221 3 | |
| 15996 1215 1213 1219 1220 3 | |
| 15997 1215 1213 1219 1221 3 | |
| 15998 1213 1215 1218 991 3 | |
| 15999 1216 1215 1218 991 3 | |
| 16000 1217 1215 1218 991 3 | |
| 16001 1213 1219 1221 1222 3 | |
| 16002 1213 1219 1221 1223 3 | |
| 16003 1220 1219 1221 1222 3 | |
| 16004 1220 1219 1221 1223 3 | |
| 16005 1219 1221 1223 1224 3 | |
| 16006 1219 1221 1223 1225 3 | |
| 16007 1219 1221 1223 1230 3 | |
| 16008 1222 1221 1223 1224 3 | |
| 16009 1222 1221 1223 1225 3 | |
| 16010 1222 1221 1223 1230 3 | |
| 16011 1221 1223 1225 1228 3 dih_SER_THR_chi1_N_C_C_O | |
| 16012 1230 1223 1225 1228 3 dih_SER_THR_chi1_CO_C_C_O | |
| 16013 1221 1223 1225 1226 3 | |
| 16014 1221 1223 1225 1227 3 | |
| 16015 1224 1223 1225 1226 3 | |
| 16016 1224 1223 1225 1227 3 | |
| 16017 1224 1223 1225 1228 3 | |
| 16018 1230 1223 1225 1226 3 | |
| 16019 1230 1223 1225 1227 3 | |
| 16020 1221 1223 1230 1231 3 | |
| 16021 1221 1223 1230 1232 3 | |
| 16022 1224 1223 1230 1231 3 | |
| 16023 1224 1223 1230 1232 3 | |
| 16024 1225 1223 1230 1231 3 | |
| 16025 1225 1223 1230 1232 3 | |
| 16026 1223 1225 1228 1229 3 dih_SER_THR_chi2_C_C_OH_HO | |
| 16027 1226 1225 1228 1229 3 | |
| 16028 1227 1225 1228 1229 3 | |
| 16029 1223 1230 1232 1233 3 | |
| 16030 1223 1230 1232 1234 3 | |
| 16031 1231 1230 1232 1233 3 | |
| 16032 1231 1230 1232 1234 3 | |
| 16033 1230 1232 1234 1235 3 | |
| 16034 1230 1232 1234 1236 3 | |
| 16035 1230 1232 1234 1240 3 | |
| 16036 1233 1232 1234 1235 3 | |
| 16037 1233 1232 1234 1236 3 | |
| 16038 1233 1232 1234 1240 3 | |
| 16039 1232 1234 1236 1237 3 | |
| 16040 1232 1234 1236 1238 3 | |
| 16041 1232 1234 1236 1239 3 | |
| 16042 1235 1234 1236 1237 3 | |
| 16043 1235 1234 1236 1238 3 | |
| 16044 1235 1234 1236 1239 3 | |
| 16045 1240 1234 1236 1237 3 | |
| 16046 1240 1234 1236 1238 3 | |
| 16047 1240 1234 1236 1239 3 | |
| 16048 1232 1234 1240 1241 3 | |
| 16049 1232 1234 1240 1242 3 | |
| 16050 1235 1234 1240 1241 3 | |
| 16051 1235 1234 1240 1242 3 | |
| 16052 1236 1234 1240 1241 3 | |
| 16053 1236 1234 1240 1242 3 | |
| 16054 1234 1240 1242 1243 3 | |
| 16055 1234 1240 1242 1244 3 | |
| 16056 1241 1240 1242 1243 3 | |
| 16057 1241 1240 1242 1244 3 | |
| 16058 1240 1242 1244 1245 3 | |
| 16059 1240 1242 1244 1246 3 | |
| 16060 1240 1242 1244 1259 3 | |
| 16061 1243 1242 1244 1245 3 | |
| 16062 1243 1242 1244 1246 3 | |
| 16063 1243 1242 1244 1259 3 | |
| 16064 1242 1244 1246 1249 3 dih_LEU_chi1_N_C_C_C | |
| 16065 1259 1244 1246 1249 3 dih_LEU_chi1_C_C_C_CO | |
| 16066 1242 1244 1246 1247 3 | |
| 16067 1242 1244 1246 1248 3 | |
| 16068 1245 1244 1246 1247 3 | |
| 16069 1245 1244 1246 1248 3 | |
| 16070 1245 1244 1246 1249 3 | |
| 16071 1259 1244 1246 1247 3 | |
| 16072 1259 1244 1246 1248 3 | |
| 16073 1242 1244 1259 1260 3 | |
| 16074 1242 1244 1259 1261 3 | |
| 16075 1245 1244 1259 1260 3 | |
| 16076 1245 1244 1259 1261 3 | |
| 16077 1246 1244 1259 1260 3 | |
| 16078 1246 1244 1259 1261 3 | |
| 16079 1244 1246 1249 1250 3 | |
| 16080 1244 1246 1249 1251 3 | |
| 16081 1244 1246 1249 1255 3 | |
| 16082 1247 1246 1249 1250 3 | |
| 16083 1247 1246 1249 1251 3 | |
| 16084 1247 1246 1249 1255 3 | |
| 16085 1248 1246 1249 1250 3 | |
| 16086 1248 1246 1249 1251 3 | |
| 16087 1248 1246 1249 1255 3 | |
| 16088 1246 1249 1251 1252 3 | |
| 16089 1246 1249 1251 1253 3 | |
| 16090 1246 1249 1251 1254 3 | |
| 16091 1250 1249 1251 1252 3 | |
| 16092 1250 1249 1251 1253 3 | |
| 16093 1250 1249 1251 1254 3 | |
| 16094 1255 1249 1251 1252 3 | |
| 16095 1255 1249 1251 1253 3 | |
| 16096 1255 1249 1251 1254 3 | |
| 16097 1246 1249 1255 1256 3 | |
| 16098 1246 1249 1255 1257 3 | |
| 16099 1246 1249 1255 1258 3 | |
| 16100 1250 1249 1255 1256 3 | |
| 16101 1250 1249 1255 1257 3 | |
| 16102 1250 1249 1255 1258 3 | |
| 16103 1251 1249 1255 1256 3 | |
| 16104 1251 1249 1255 1257 3 | |
| 16105 1251 1249 1255 1258 3 | |
| 16106 1244 1259 1261 1262 3 | |
| 16107 1244 1259 1261 1263 3 | |
| 16108 1260 1259 1261 1262 3 | |
| 16109 1260 1259 1261 1263 3 | |
| 16110 1259 1261 1263 1264 3 | |
| 16111 1259 1261 1263 1265 3 | |
| 16112 1259 1261 1263 1278 3 | |
| 16113 1262 1261 1263 1264 3 | |
| 16114 1262 1261 1263 1265 3 | |
| 16115 1262 1261 1263 1278 3 | |
| 16116 1261 1263 1265 1268 3 dih_LEU_chi1_N_C_C_C | |
| 16117 1278 1263 1265 1268 3 dih_LEU_chi1_C_C_C_CO | |
| 16118 1261 1263 1265 1266 3 | |
| 16119 1261 1263 1265 1267 3 | |
| 16120 1264 1263 1265 1266 3 | |
| 16121 1264 1263 1265 1267 3 | |
| 16122 1264 1263 1265 1268 3 | |
| 16123 1278 1263 1265 1266 3 | |
| 16124 1278 1263 1265 1267 3 | |
| 16125 1261 1263 1278 1279 3 | |
| 16126 1261 1263 1278 1280 3 | |
| 16127 1264 1263 1278 1279 3 | |
| 16128 1264 1263 1278 1280 3 | |
| 16129 1265 1263 1278 1279 3 | |
| 16130 1265 1263 1278 1280 3 | |
| 16131 1263 1265 1268 1269 3 | |
| 16132 1263 1265 1268 1270 3 | |
| 16133 1263 1265 1268 1274 3 | |
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| 16224 1302 1304 1306 1309 3 dih_ASP_chi1_N_C_C_C | |
| 16225 1312 1304 1306 1309 3 dih_ASP_chi1_C_C_C_CO | |
| 16226 1302 1304 1306 1307 3 | |
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| 16440 1384 1386 1388 1391 3 dih_ASN_chi1_N_C_C_C | |
| 16441 1396 1386 1388 1391 3 dih_ASN_chi1_C_C_C_CO | |
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| 16455 1386 1388 1391 1393 3 dih_ASN_chi2_C_C_CO_N | |
| 16456 1386 1388 1391 1392 3 | |
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| 16475 1398 1400 1402 1405 3 dih_CYS_chi1_N_C_C_S | |
| 16476 1406 1400 1402 1405 3 dih_CYS_chi1_CO_C_C_S | |
| 16477 1398 1400 1402 1403 3 | |
| 16478 1398 1400 1402 1404 3 | |
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| 16528 1418 1420 1422 1425 3 dih_LYS_chi1_N_C_C_C | |
| 16529 1438 1420 1422 1425 3 dih_LYS_chi1_C_C_C_CO | |
| 16530 1418 1420 1422 1423 3 | |
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| 16570 1428 1431 1434 1435 3 dih_LYS_chi5_C_C_N_H | |
| 16571 1428 1431 1434 1436 3 dih_LYS_chi5_C_C_N_H | |
| 16572 1428 1431 1434 1437 3 dih_LYS_chi5_C_C_N_H | |
| 16573 1432 1431 1434 1435 3 | |
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| 16589 1440 1442 1444 1447 3 dih_LYS_chi1_N_C_C_C | |
| 16590 1460 1442 1444 1447 3 dih_LYS_chi1_C_C_C_CO | |
| 16591 1440 1442 1444 1445 3 | |
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| 17576 1812 1810 1813 1815 3 | |
| 17577 1812 1810 1813 1816 3 | |
| 17578 1810 1813 1816 1818 3 dih_GLN_chi3_C_C_CO_N | |
| 17579 1810 1813 1816 1817 3 | |
| 17580 1814 1813 1816 1817 3 | |
| 17581 1814 1813 1816 1818 3 | |
| 17582 1815 1813 1816 1817 3 | |
| 17583 1815 1813 1816 1818 3 | |
| 17584 1813 1816 1818 1819 3 | |
| 17585 1813 1816 1818 1820 3 | |
| 17586 1817 1816 1818 1819 3 | |
| 17587 1817 1816 1818 1820 3 | |
| 17588 1808 1821 1823 1824 3 | |
| 17589 1808 1821 1823 1825 3 | |
| 17590 1822 1821 1823 1824 3 | |
| 17591 1822 1821 1823 1825 3 | |
| 17592 1821 1823 1825 1826 3 | |
| 17593 1821 1823 1825 1827 3 | |
| 17594 1821 1823 1825 1831 3 | |
| 17595 1824 1823 1825 1826 3 | |
| 17596 1824 1823 1825 1827 3 | |
| 17597 1824 1823 1825 1831 3 | |
| 17598 1823 1825 1827 1828 3 | |
| 17599 1823 1825 1827 1829 3 | |
| 17600 1823 1825 1827 1830 3 | |
| 17601 1826 1825 1827 1828 3 | |
| 17602 1826 1825 1827 1829 3 | |
| 17603 1826 1825 1827 1830 3 | |
| 17604 1831 1825 1827 1828 3 | |
| 17605 1831 1825 1827 1829 3 | |
| 17606 1831 1825 1827 1830 3 | |
| 17607 1823 1825 1831 1832 3 | |
| 17608 1823 1825 1831 1833 3 | |
| 17609 1826 1825 1831 1832 3 | |
| 17610 1826 1825 1831 1833 3 | |
| 17611 1827 1825 1831 1832 3 | |
| 17612 1827 1825 1831 1833 3 | |
| 17613 1825 1831 1833 1834 3 | |
| 17614 1825 1831 1833 1835 3 | |
| 17615 1832 1831 1833 1834 3 | |
| 17616 1832 1831 1833 1835 3 | |
| 17617 1831 1833 1835 1836 3 | |
| 17618 1831 1833 1835 1837 3 | |
| 17619 1831 1833 1835 1855 3 | |
| 17620 1834 1833 1835 1836 3 | |
| 17621 1834 1833 1835 1837 3 | |
| 17622 1834 1833 1835 1855 3 | |
| 17623 1833 1835 1837 1840 3 dih_TRP_chi1_N_C_C_C | |
| 17624 1855 1835 1837 1840 3 dih_TRP_chi1_C_C_C_CO | |
| 17625 1833 1835 1837 1838 3 | |
| 17626 1833 1835 1837 1839 3 | |
| 17627 1836 1835 1837 1838 3 | |
| 17628 1836 1835 1837 1839 3 | |
| 17629 1836 1835 1837 1840 3 | |
| 17630 1855 1835 1837 1838 3 | |
| 17631 1855 1835 1837 1839 3 | |
| 17632 1833 1835 1855 1856 3 | |
| 17633 1833 1835 1855 1857 3 | |
| 17634 1836 1835 1855 1856 3 | |
| 17635 1836 1835 1855 1857 3 | |
| 17636 1837 1835 1855 1856 3 | |
| 17637 1837 1835 1855 1857 3 | |
| 17638 1835 1837 1840 1841 3 | |
| 17639 1835 1837 1840 1843 3 | |
| 17640 1838 1837 1840 1841 3 | |
| 17641 1838 1837 1840 1843 3 | |
| 17642 1839 1837 1840 1841 3 | |
| 17643 1839 1837 1840 1843 3 | |
| 17644 1837 1840 1841 1842 3 | |
| 17645 1837 1840 1841 1844 3 | |
| 17646 1843 1840 1841 1842 3 | |
| 17647 1843 1840 1841 1844 3 | |
| 17648 1837 1840 1843 1846 3 | |
| 17649 1837 1840 1843 1847 3 | |
| 17650 1841 1840 1843 1846 3 | |
| 17651 1841 1840 1843 1847 3 | |
| 17652 1840 1841 1844 1845 3 | |
| 17653 1840 1841 1844 1846 3 | |
| 17654 1842 1841 1844 1845 3 | |
| 17655 1842 1841 1844 1846 3 | |
| 17656 1840 1843 1846 1844 3 | |
| 17657 1840 1843 1846 1849 3 | |
| 17658 1847 1843 1846 1844 3 | |
| 17659 1847 1843 1846 1849 3 | |
| 17660 1840 1843 1847 1848 3 | |
| 17661 1840 1843 1847 1851 3 | |
| 17662 1846 1843 1847 1848 3 | |
| 17663 1846 1843 1847 1851 3 | |
| 17664 1841 1844 1846 1843 3 | |
| 17665 1841 1844 1846 1849 3 | |
| 17666 1845 1844 1846 1843 3 | |
| 17667 1845 1844 1846 1849 3 | |
| 17668 1843 1846 1849 1850 3 | |
| 17669 1843 1846 1849 1853 3 | |
| 17670 1844 1846 1849 1850 3 | |
| 17671 1844 1846 1849 1853 3 | |
| 17672 1843 1847 1851 1852 3 | |
| 17673 1843 1847 1851 1853 3 | |
| 17674 1848 1847 1851 1852 3 | |
| 17675 1848 1847 1851 1853 3 | |
| 17676 1846 1849 1853 1851 3 | |
| 17677 1846 1849 1853 1854 3 | |
| 17678 1850 1849 1853 1851 3 | |
| 17679 1850 1849 1853 1854 3 | |
| 17680 1847 1851 1853 1849 3 | |
| 17681 1847 1851 1853 1854 3 | |
| 17682 1852 1851 1853 1849 3 | |
| 17683 1852 1851 1853 1854 3 | |
| 17684 1835 1855 1857 1858 3 | |
| 17685 1835 1855 1857 1859 3 | |
| 17686 1856 1855 1857 1858 3 | |
| 17687 1856 1855 1857 1859 3 | |
| 17688 1855 1857 1859 1860 3 | |
| 17689 1855 1857 1859 1861 3 | |
| 17690 1855 1857 1859 1874 3 | |
| 17691 1858 1857 1859 1860 3 | |
| 17692 1858 1857 1859 1861 3 | |
| 17693 1858 1857 1859 1874 3 | |
| 17694 1857 1859 1861 1863 3 dih_ILE_chi1_N_C_C_C | |
| 17695 1857 1859 1861 1866 3 dih_ILE_chi1_N_C_C_C | |
| 17696 1874 1859 1861 1863 3 dih_ILE_chi1_C_C_C_CO | |
| 17697 1874 1859 1861 1866 3 dih_ILE_chi1_C_C_C_CO | |
| 17698 1857 1859 1861 1862 3 | |
| 17699 1860 1859 1861 1862 3 | |
| 17700 1860 1859 1861 1863 3 | |
| 17701 1860 1859 1861 1866 3 | |
| 17702 1874 1859 1861 1862 3 | |
| 17703 1857 1859 1874 1875 3 | |
| 17704 1857 1859 1874 1876 3 | |
| 17705 1860 1859 1874 1875 3 | |
| 17706 1860 1859 1874 1876 3 | |
| 17707 1861 1859 1874 1875 3 | |
| 17708 1861 1859 1874 1876 3 | |
| 17709 1859 1861 1863 1864 3 | |
| 17710 1859 1861 1863 1865 3 | |
| 17711 1859 1861 1863 1870 3 | |
| 17712 1862 1861 1863 1864 3 | |
| 17713 1862 1861 1863 1865 3 | |
| 17714 1862 1861 1863 1870 3 | |
| 17715 1866 1861 1863 1864 3 | |
| 17716 1866 1861 1863 1865 3 | |
| 17717 1866 1861 1863 1870 3 | |
| 17718 1859 1861 1866 1867 3 | |
| 17719 1859 1861 1866 1868 3 | |
| 17720 1859 1861 1866 1869 3 | |
| 17721 1862 1861 1866 1867 3 | |
| 17722 1862 1861 1866 1868 3 | |
| 17723 1862 1861 1866 1869 3 | |
| 17724 1863 1861 1866 1867 3 | |
| 17725 1863 1861 1866 1868 3 | |
| 17726 1863 1861 1866 1869 3 | |
| 17727 1861 1863 1870 1871 3 | |
| 17728 1861 1863 1870 1872 3 | |
| 17729 1861 1863 1870 1873 3 | |
| 17730 1864 1863 1870 1871 3 | |
| 17731 1864 1863 1870 1872 3 | |
| 17732 1864 1863 1870 1873 3 | |
| 17733 1865 1863 1870 1871 3 | |
| 17734 1865 1863 1870 1872 3 | |
| 17735 1865 1863 1870 1873 3 | |
| 17736 1859 1874 1876 1877 3 | |
| 17737 1859 1874 1876 1878 3 | |
| 17738 1875 1874 1876 1877 3 | |
| 17739 1875 1874 1876 1878 3 | |
| 17740 1874 1876 1878 1879 3 | |
| 17741 1874 1876 1878 1880 3 | |
| 17742 1874 1876 1878 1898 3 | |
| 17743 1877 1876 1878 1879 3 | |
| 17744 1877 1876 1878 1880 3 | |
| 17745 1877 1876 1878 1898 3 | |
| 17746 1876 1878 1880 1883 3 dih_ARG_chi1_N_C_C_C | |
| 17747 1898 1878 1880 1883 3 dih_ARG_chi1_C_C_C_CO | |
| 17748 1876 1878 1880 1881 3 | |
| 17749 1876 1878 1880 1882 3 | |
| 17750 1879 1878 1880 1881 3 | |
| 17751 1879 1878 1880 1882 3 | |
| 17752 1879 1878 1880 1883 3 | |
| 17753 1898 1878 1880 1881 3 | |
| 17754 1898 1878 1880 1882 3 | |
| 17755 1876 1878 1898 1899 3 | |
| 17756 1876 1878 1898 1900 3 | |
| 17757 1879 1878 1898 1899 3 | |
| 17758 1879 1878 1898 1900 3 | |
| 17759 1880 1878 1898 1899 3 | |
| 17760 1880 1878 1898 1900 3 | |
| 17761 1878 1880 1883 1884 3 | |
| 17762 1878 1880 1883 1885 3 | |
| 17763 1878 1880 1883 1886 3 | |
| 17764 1881 1880 1883 1884 3 | |
| 17765 1881 1880 1883 1885 3 | |
| 17766 1881 1880 1883 1886 3 | |
| 17767 1882 1880 1883 1884 3 | |
| 17768 1882 1880 1883 1885 3 | |
| 17769 1882 1880 1883 1886 3 | |
| 17770 1880 1883 1886 1887 3 | |
| 17771 1880 1883 1886 1888 3 | |
| 17772 1880 1883 1886 1889 3 | |
| 17773 1884 1883 1886 1887 3 | |
| 17774 1884 1883 1886 1888 3 | |
| 17775 1884 1883 1886 1889 3 | |
| 17776 1885 1883 1886 1887 3 | |
| 17777 1885 1883 1886 1888 3 | |
| 17778 1885 1883 1886 1889 3 | |
| 17779 1883 1886 1889 1890 3 | |
| 17780 1883 1886 1889 1891 3 | |
| 17781 1887 1886 1889 1890 3 | |
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| 17785 1886 1889 1891 1892 3 | |
| 17786 1886 1889 1891 1895 3 | |
| 17787 1890 1889 1891 1892 3 | |
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| 17795 1892 1891 1895 1896 3 | |
| 17796 1892 1891 1895 1897 3 | |
| 17797 1878 1898 1900 1901 3 | |
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| 17799 1899 1898 1900 1901 3 | |
| 17800 1899 1898 1900 1902 3 | |
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| 17802 1898 1900 1902 1904 3 | |
| 17803 1898 1900 1902 1905 3 | |
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| 17806 1901 1900 1902 1905 3 | |
| 17807 1900 1902 1905 1906 3 | |
| 17808 1900 1902 1905 1907 3 | |
| 17809 1903 1902 1905 1906 3 | |
| 17810 1903 1902 1905 1907 3 | |
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| 17818 1905 1907 1909 1911 3 | |
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| 17820 1908 1907 1909 1910 3 | |
| 17821 1908 1907 1909 1911 3 | |
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| 17823 1907 1909 1911 1914 3 dih_CYS_chi1_N_C_C_S | |
| 17824 1915 1909 1911 1914 3 dih_CYS_chi1_CO_C_C_S | |
| 17825 1907 1909 1911 1912 3 | |
| 17826 1907 1909 1911 1913 3 | |
| 17827 1910 1909 1911 1912 3 | |
| 17828 1910 1909 1911 1913 3 | |
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| 17830 1915 1909 1911 1912 3 | |
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| 17832 1907 1909 1915 1916 3 | |
| 17833 1907 1909 1915 1917 3 | |
| 17834 1910 1909 1915 1916 3 | |
| 17835 1910 1909 1915 1917 3 | |
| 17836 1911 1909 1915 1916 3 | |
| 17837 1911 1909 1915 1917 3 | |
| 17838 1909 1911 1914 99 3 | |
| 17839 1912 1911 1914 99 3 | |
| 17840 1913 1911 1914 99 3 | |
| 17841 1909 1915 1917 1918 3 | |
| 17842 1909 1915 1917 1919 3 | |
| 17843 1916 1915 1917 1918 3 | |
| 17844 1916 1915 1917 1919 3 | |
| 17845 1915 1917 1919 1920 3 | |
| 17846 1915 1917 1919 1921 3 | |
| 17847 1915 1917 1919 1939 3 | |
| 17848 1918 1917 1919 1920 3 | |
| 17849 1918 1917 1919 1921 3 | |
| 17850 1918 1917 1919 1939 3 | |
| 17851 1917 1919 1921 1924 3 dih_ARG_chi1_N_C_C_C | |
| 17852 1939 1919 1921 1924 3 dih_ARG_chi1_C_C_C_CO | |
| 17853 1917 1919 1921 1922 3 | |
| 17854 1917 1919 1921 1923 3 | |
| 17855 1920 1919 1921 1922 3 | |
| 17856 1920 1919 1921 1923 3 | |
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| 17858 1939 1919 1921 1922 3 | |
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| 17860 1917 1919 1939 1940 3 | |
| 17861 1917 1919 1939 1941 3 | |
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| 17863 1920 1919 1939 1941 3 | |
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| 17877 1921 1924 1927 1930 3 | |
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| 17879 1925 1924 1927 1929 3 | |
| 17880 1925 1924 1927 1930 3 | |
| 17881 1926 1924 1927 1928 3 | |
| 17882 1926 1924 1927 1929 3 | |
| 17883 1926 1924 1927 1930 3 | |
| 17884 1924 1927 1930 1931 3 | |
| 17885 1924 1927 1930 1932 3 | |
| 17886 1928 1927 1930 1931 3 | |
| 17887 1928 1927 1930 1932 3 | |
| 17888 1929 1927 1930 1931 3 | |
| 17889 1929 1927 1930 1932 3 | |
| 17890 1927 1930 1932 1933 3 | |
| 17891 1927 1930 1932 1936 3 | |
| 17892 1931 1930 1932 1933 3 | |
| 17893 1931 1930 1932 1936 3 | |
| 17894 1930 1932 1933 1934 3 | |
| 17895 1930 1932 1933 1935 3 | |
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| 17897 1936 1932 1933 1935 3 | |
| 17898 1930 1932 1936 1937 3 | |
| 17899 1930 1932 1936 1938 3 | |
| 17900 1933 1932 1936 1937 3 | |
| 17901 1933 1932 1936 1938 3 | |
| 17902 1919 1939 1941 1942 3 | |
| 17903 1919 1939 1941 1943 3 | |
| 17904 1940 1939 1941 1942 3 | |
| 17905 1940 1939 1941 1943 3 | |
| 17906 1939 1941 1943 1944 3 | |
| 17907 1939 1941 1943 1945 3 | |
| 17908 1939 1941 1943 1958 3 | |
| 17909 1942 1941 1943 1944 3 | |
| 17910 1942 1941 1943 1945 3 | |
| 17911 1942 1941 1943 1958 3 | |
| 17912 1941 1943 1945 1948 3 dih_LEU_chi1_N_C_C_C | |
| 17913 1958 1943 1945 1948 3 dih_LEU_chi1_C_C_C_CO | |
| 17914 1941 1943 1945 1946 3 | |
| 17915 1941 1943 1945 1947 3 | |
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| 17935 1947 1945 1948 1954 3 | |
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| 17951 1950 1948 1954 1955 3 | |
| 17952 1950 1948 1954 1956 3 | |
| 17953 1950 1948 1954 1957 3 | |
| 17954 | 862 |
| 17955 [ dihedrals ] | 863 [ dihedrals ] |
| 17956 ; ai aj ak al funct c0 c1 c2 c3 | 864 ; ai aj ak al funct c0 c1 c2 c3 |
| 17957 5 25 23 24 1 improper_O_C_X_Y | 865 5 25 23 24 1 improper_O_C_X_Y |
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| 17975 83 88 87 89 1 improper_Z_N_X_Y | 883 83 88 87 89 1 improper_Z_N_X_Y |
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| 18070 516 534 532 533 1 improper_O_C_X_Y | |
| 18071 518 521 524 522 1 improper_Z_CA_X_Y | |
| 18072 521 526 522 523 1 improper_Z_CA_X_Y | |
| 18073 521 528 524 525 1 improper_Z_CA_X_Y | |
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| 18083 562 574 572 573 1 improper_O_C_X_Y | |
| 18084 564 569 567 568 1 improper_O_C_X_Y | |
| 18085 567 570 569 571 1 improper_Z_N_X_Y | |
| 18086 572 576 574 575 1 improper_Z_N_X_Y | |
| 18087 576 594 592 593 1 improper_O_C_X_Y | |
| 18088 578 581 584 582 1 improper_Z_CA_X_Y | |
| 18089 581 586 582 583 1 improper_Z_CA_X_Y | |
| 18090 581 588 584 585 1 improper_Z_CA_X_Y | |
| 18091 582 590 586 587 1 improper_Z_CA_X_Y | |
| 18092 584 590 588 589 1 improper_Z_CA_X_Y | |
| 18093 586 588 590 591 1 improper_Z_CA_X_Y | |
| 18094 592 596 594 595 1 improper_Z_N_X_Y | |
| 18095 596 608 606 607 1 improper_O_C_X_Y | |
| 18096 598 603 601 602 1 improper_O_C_X_Y | |
| 18097 601 604 603 605 1 improper_Z_N_X_Y | |
| 18098 606 610 608 609 1 improper_Z_N_X_Y | |
| 18099 610 622 620 621 1 improper_O_C_X_Y | |
| 18100 620 624 622 623 1 improper_Z_N_X_Y | |
| 18101 624 639 637 638 1 improper_O_C_X_Y | |
| 18102 629 634 632 633 1 improper_O_C_X_Y | |
| 18103 632 635 634 636 1 improper_Z_N_X_Y | |
| 18104 637 641 639 640 1 improper_Z_N_X_Y | |
| 18105 641 649 647 648 1 improper_O_C_X_Y | |
| 18106 647 651 649 650 1 improper_Z_N_X_Y | |
| 18107 651 663 661 662 1 improper_O_C_X_Y | |
| 18108 661 665 663 664 1 improper_Z_N_X_Y | |
| 18109 665 677 675 676 1 improper_O_C_X_Y | |
| 18110 667 672 670 671 1 improper_O_C_X_Y | |
| 18111 670 673 672 674 1 improper_Z_N_X_Y | |
| 18112 675 679 677 678 1 improper_Z_N_X_Y | |
| 18113 679 701 699 700 1 improper_O_C_X_Y | |
| 18114 687 692 690 691 1 improper_Z_N_X_Y | |
| 18115 690 693 692 696 1 improper_O_C_X_Y | |
| 18116 692 694 693 695 1 improper_Z_N_X_Y | |
| 18117 692 697 696 698 1 improper_Z_N_X_Y | |
| 18118 699 703 701 702 1 improper_Z_N_X_Y | |
| 18119 703 715 713 714 1 improper_O_C_X_Y | |
| 18120 705 710 708 709 1 improper_O_C_X_Y | |
| 18121 708 711 710 712 1 improper_Z_N_X_Y | |
| 18122 713 717 715 716 1 improper_Z_N_X_Y | |
| 18123 717 729 727 728 1 improper_O_C_X_Y | |
| 18124 727 731 729 730 1 improper_Z_N_X_Y | |
| 18125 731 741 739 740 1 improper_O_C_X_Y | |
| 18126 733 737 736 738 1 improper_O_C_X_Y | |
| 18127 739 743 741 742 1 improper_Z_N_X_Y | |
| 18128 743 748 746 747 1 improper_O_C_X_Y | |
| 18129 746 750 748 749 1 improper_Z_N_X_Y | |
| 18130 750 759 757 758 1 improper_O_C_X_Y | |
| 18131 757 761 759 760 1 improper_Z_N_X_Y | |
| 18132 761 773 771 772 1 improper_O_C_X_Y | |
| 18133 771 775 773 774 1 improper_Z_N_X_Y | |
| 18134 775 785 783 784 1 improper_O_C_X_Y | |
| 18135 777 781 780 782 1 improper_O_C_X_Y | |
| 18136 783 787 785 786 1 improper_Z_N_X_Y | |
| 18137 787 806 804 805 1 improper_O_C_X_Y | |
| 18138 789 792 795 793 1 improper_Z_CA_X_Y | |
| 18139 792 797 793 794 1 improper_Z_CA_X_Y | |
| 18140 792 799 795 796 1 improper_Z_CA_X_Y | |
| 18141 793 801 797 798 1 improper_Z_CA_X_Y | |
| 18142 795 801 799 800 1 improper_Z_CA_X_Y | |
| 18143 797 799 801 802 1 improper_Z_CA_X_Y | |
| 18144 804 808 806 807 1 improper_Z_N_X_Y | |
| 18145 808 813 811 812 1 improper_O_C_X_Y | |
| 18146 811 815 813 814 1 improper_Z_N_X_Y | |
| 18147 815 832 830 831 1 improper_O_C_X_Y | |
| 18148 830 834 832 833 1 improper_Z_N_X_Y | |
| 18149 834 851 849 850 1 improper_O_C_X_Y | |
| 18150 849 853 851 852 1 improper_Z_N_X_Y | |
| 18151 853 868 866 867 1 improper_O_C_X_Y | |
| 18152 858 863 861 862 1 improper_O_C_X_Y | |
| 18153 861 864 863 865 1 improper_Z_N_X_Y | |
| 18154 866 870 868 869 1 improper_Z_N_X_Y | |
| 18155 870 887 885 886 1 improper_O_C_X_Y | |
| 18156 885 889 887 888 1 improper_Z_N_X_Y | |
| 18157 889 901 899 900 1 improper_O_C_X_Y | |
| 18158 891 896 894 895 1 improper_O_C_X_Y | |
| 18159 894 897 896 898 1 improper_Z_N_X_Y | |
| 18160 899 903 901 902 1 improper_Z_N_X_Y | |
| 18161 903 912 910 911 1 improper_O_C_X_Y | |
| 18162 910 914 912 913 1 improper_Z_N_X_Y | |
| 18163 914 936 934 935 1 improper_O_C_X_Y | |
| 18164 922 927 925 926 1 improper_Z_N_X_Y | |
| 18165 925 928 927 931 1 improper_O_C_X_Y | |
| 18166 927 929 928 930 1 improper_Z_N_X_Y | |
| 18167 927 932 931 933 1 improper_Z_N_X_Y | |
| 18168 934 938 936 937 1 improper_Z_N_X_Y | |
| 18169 938 960 958 959 1 improper_O_C_X_Y | |
| 18170 940 943 946 944 1 improper_Z_CA_X_Y | |
| 18171 943 947 944 945 1 improper_Z_CA_X_Y | |
| 18172 944 949 947 948 1 improper_Z_N_X_Y | |
| 18173 949 956 952 953 1 improper_Z_CA_X_Y | |
| 18174 951 950 946 954 1 improper_Z_CA_X_Y | |
| 18175 952 954 956 957 1 improper_Z_CA_X_Y | |
| 18176 955 954 950 956 1 improper_Z_CA_X_Y | |
| 18177 958 962 960 961 1 improper_Z_N_X_Y | |
| 18178 962 984 982 983 1 improper_O_C_X_Y | |
| 18179 964 967 970 968 1 improper_Z_CA_X_Y | |
| 18180 967 971 968 969 1 improper_Z_CA_X_Y | |
| 18181 968 973 971 972 1 improper_Z_N_X_Y | |
| 18182 973 980 976 977 1 improper_Z_CA_X_Y | |
| 18183 975 974 970 978 1 improper_Z_CA_X_Y | |
| 18184 976 978 980 981 1 improper_Z_CA_X_Y | |
| 18185 979 978 974 980 1 improper_Z_CA_X_Y | |
| 18186 982 986 984 985 1 improper_Z_N_X_Y | |
| 18187 986 994 992 993 1 improper_O_C_X_Y | |
| 18188 992 996 994 995 1 improper_Z_N_X_Y | |
| 18189 996 1008 1006 1007 1 improper_O_C_X_Y | |
| 18190 998 1003 1001 1002 1 improper_O_C_X_Y | |
| 18191 1001 1004 1003 1005 1 improper_Z_N_X_Y | |
| 18192 1006 1010 1008 1009 1 improper_Z_N_X_Y | |
| 18193 1010 1020 1018 1019 1 improper_O_C_X_Y | |
| 18194 1012 1016 1015 1017 1 improper_O_C_X_Y | |
| 18195 1018 1022 1020 1021 1 improper_Z_N_X_Y | |
| 18196 1022 1027 1025 1026 1 improper_O_C_X_Y | |
| 18197 1025 1029 1027 1028 1 improper_Z_N_X_Y | |
| 18198 1029 1051 1049 1050 1 improper_O_C_X_Y | |
| 18199 1037 1042 1040 1041 1 improper_Z_N_X_Y | |
| 18200 1040 1043 1042 1046 1 improper_O_C_X_Y | |
| 18201 1042 1044 1043 1045 1 improper_Z_N_X_Y | |
| 18202 1042 1047 1046 1048 1 improper_Z_N_X_Y | |
| 18203 1049 1053 1051 1052 1 improper_Z_N_X_Y | |
| 18204 1053 1065 1063 1064 1 improper_O_C_X_Y | |
| 18205 1063 1066 1065 1074 1 improper_Z_N_X_Y | |
| 18206 1066 1079 1077 1078 1 improper_O_C_X_Y | |
| 18207 1077 1081 1079 1080 1 improper_Z_N_X_Y | |
| 18208 1081 1086 1084 1085 1 improper_O_C_X_Y | |
| 18209 1084 1088 1086 1087 1 improper_Z_N_X_Y | |
| 18210 1088 1097 1095 1096 1 improper_O_C_X_Y | |
| 18211 1095 1099 1097 1098 1 improper_Z_N_X_Y | |
| 18212 1099 1121 1119 1120 1 improper_O_C_X_Y | |
| 18213 1107 1112 1110 1111 1 improper_Z_N_X_Y | |
| 18214 1110 1113 1112 1116 1 improper_O_C_X_Y | |
| 18215 1112 1114 1113 1115 1 improper_Z_N_X_Y | |
| 18216 1112 1117 1116 1118 1 improper_Z_N_X_Y | |
| 18217 1119 1123 1121 1122 1 improper_Z_N_X_Y | |
| 18218 1123 1135 1133 1134 1 improper_O_C_X_Y | |
| 18219 1125 1130 1128 1129 1 improper_O_C_X_Y | |
| 18220 1128 1131 1130 1132 1 improper_Z_N_X_Y | |
| 18221 1133 1137 1135 1136 1 improper_Z_N_X_Y | |
| 18222 1137 1154 1152 1153 1 improper_O_C_X_Y | |
| 18223 1152 1156 1154 1155 1 improper_Z_N_X_Y | |
| 18224 1156 1164 1162 1163 1 improper_O_C_X_Y | |
| 18225 1162 1166 1164 1165 1 improper_Z_N_X_Y | |
| 18226 1166 1178 1176 1177 1 improper_O_C_X_Y | |
| 18227 1168 1173 1171 1172 1 improper_O_C_X_Y | |
| 18228 1171 1174 1173 1175 1 improper_Z_N_X_Y | |
| 18229 1176 1180 1178 1179 1 improper_Z_N_X_Y | |
| 18230 1180 1197 1195 1196 1 improper_O_C_X_Y | |
| 18231 1195 1198 1197 1206 1 improper_Z_N_X_Y | |
| 18232 1198 1211 1209 1210 1 improper_O_C_X_Y | |
| 18233 1209 1213 1211 1212 1 improper_Z_N_X_Y | |
| 18234 1213 1221 1219 1220 1 improper_O_C_X_Y | |
| 18235 1219 1223 1221 1222 1 improper_Z_N_X_Y | |
| 18236 1223 1232 1230 1231 1 improper_O_C_X_Y | |
| 18237 1230 1234 1232 1233 1 improper_Z_N_X_Y | |
| 18238 1234 1242 1240 1241 1 improper_O_C_X_Y | |
| 18239 1240 1244 1242 1243 1 improper_Z_N_X_Y | |
| 18240 1244 1261 1259 1260 1 improper_O_C_X_Y | |
| 18241 1259 1263 1261 1262 1 improper_Z_N_X_Y | |
| 18242 1263 1280 1278 1279 1 improper_O_C_X_Y | |
| 18243 1278 1282 1280 1281 1 improper_Z_N_X_Y | |
| 18244 1282 1291 1289 1290 1 improper_O_C_X_Y | |
| 18245 1289 1293 1291 1292 1 improper_Z_N_X_Y | |
| 18246 1293 1302 1300 1301 1 improper_O_C_X_Y | |
| 18247 1300 1304 1302 1303 1 improper_Z_N_X_Y | |
| 18248 1304 1314 1312 1313 1 improper_O_C_X_Y | |
| 18249 1306 1310 1309 1311 1 improper_O_C_X_Y | |
| 18250 1312 1316 1314 1315 1 improper_Z_N_X_Y | |
| 18251 1316 1333 1331 1332 1 improper_O_C_X_Y | |
| 18252 1331 1335 1333 1334 1 improper_Z_N_X_Y | |
| 18253 1335 1347 1345 1346 1 improper_O_C_X_Y | |
| 18254 1345 1349 1347 1348 1 improper_Z_N_X_Y | |
| 18255 1349 1357 1355 1356 1 improper_O_C_X_Y | |
| 18256 1355 1359 1357 1358 1 improper_Z_N_X_Y | |
| 18257 1359 1368 1366 1367 1 improper_O_C_X_Y | |
| 18258 1366 1370 1368 1369 1 improper_Z_N_X_Y | |
| 18259 1370 1384 1382 1383 1 improper_O_C_X_Y | |
| 18260 1382 1386 1384 1385 1 improper_Z_N_X_Y | |
| 18261 1386 1398 1396 1397 1 improper_O_C_X_Y | |
| 18262 1388 1393 1391 1392 1 improper_O_C_X_Y | |
| 18263 1391 1394 1393 1395 1 improper_Z_N_X_Y | |
| 18264 1396 1400 1398 1399 1 improper_Z_N_X_Y | |
| 18265 1400 1408 1406 1407 1 improper_O_C_X_Y | |
| 18266 1406 1410 1408 1409 1 improper_Z_N_X_Y | |
| 18267 1410 1418 1416 1417 1 improper_O_C_X_Y | |
| 18268 1416 1420 1418 1419 1 improper_Z_N_X_Y | |
| 18269 1420 1440 1438 1439 1 improper_O_C_X_Y | |
| 18270 1438 1442 1440 1441 1 improper_Z_N_X_Y | |
| 18271 1442 1462 1460 1461 1 improper_O_C_X_Y | |
| 18272 1460 1464 1462 1463 1 improper_Z_N_X_Y | |
| 18273 1464 1481 1479 1480 1 improper_O_C_X_Y | |
| 18274 1479 1483 1481 1482 1 improper_Z_N_X_Y | |
| 18275 1483 1497 1495 1496 1 improper_O_C_X_Y | |
| 18276 1495 1499 1497 1498 1 improper_Z_N_X_Y | |
| 18277 1499 1508 1506 1507 1 improper_O_C_X_Y | |
| 18278 1506 1510 1508 1509 1 improper_Z_N_X_Y | |
| 18279 1510 1520 1518 1519 1 improper_O_C_X_Y | |
| 18280 1512 1516 1515 1517 1 improper_O_C_X_Y | |
| 18281 1518 1522 1520 1521 1 improper_Z_N_X_Y | |
| 18282 1522 1527 1525 1526 1 improper_O_C_X_Y | |
| 18283 1525 1529 1527 1528 1 improper_Z_N_X_Y | |
| 18284 1529 1541 1539 1540 1 improper_O_C_X_Y | |
| 18285 1531 1536 1534 1535 1 improper_O_C_X_Y | |
| 18286 1534 1537 1536 1538 1 improper_Z_N_X_Y | |
| 18287 1539 1543 1541 1542 1 improper_Z_N_X_Y | |
| 18288 1543 1548 1546 1547 1 improper_O_C_X_Y | |
| 18289 1546 1550 1548 1549 1 improper_Z_N_X_Y | |
| 18290 1550 1565 1563 1564 1 improper_O_C_X_Y | |
| 18291 1563 1567 1565 1566 1 improper_Z_N_X_Y | |
| 18292 1567 1579 1577 1578 1 improper_O_C_X_Y | |
| 18293 1569 1574 1572 1573 1 improper_O_C_X_Y | |
| 18294 1572 1575 1574 1576 1 improper_Z_N_X_Y | |
| 18295 1577 1581 1579 1580 1 improper_Z_N_X_Y | |
| 18296 1581 1589 1587 1588 1 improper_O_C_X_Y | |
| 18297 1587 1591 1589 1590 1 improper_Z_N_X_Y | |
| 18298 1591 1613 1611 1612 1 improper_O_C_X_Y | |
| 18299 1593 1596 1599 1597 1 improper_Z_CA_X_Y | |
| 18300 1596 1600 1597 1598 1 improper_Z_CA_X_Y | |
| 18301 1597 1602 1600 1601 1 improper_Z_N_X_Y | |
| 18302 1602 1609 1605 1606 1 improper_Z_CA_X_Y | |
| 18303 1604 1603 1599 1607 1 improper_Z_CA_X_Y | |
| 18304 1605 1607 1609 1610 1 improper_Z_CA_X_Y | |
| 18305 1608 1607 1603 1609 1 improper_Z_CA_X_Y | |
| 18306 1611 1615 1613 1614 1 improper_Z_N_X_Y | |
| 18307 1615 1629 1627 1628 1 improper_O_C_X_Y | |
| 18308 1627 1631 1629 1630 1 improper_Z_N_X_Y | |
| 18309 1631 1639 1637 1638 1 improper_O_C_X_Y | |
| 18310 1637 1641 1639 1640 1 improper_Z_N_X_Y | |
| 18311 1641 1663 1661 1662 1 improper_O_C_X_Y | |
| 18312 1643 1646 1649 1647 1 improper_Z_CA_X_Y | |
| 18313 1646 1650 1647 1648 1 improper_Z_CA_X_Y | |
| 18314 1647 1652 1650 1651 1 improper_Z_N_X_Y | |
| 18315 1652 1659 1655 1656 1 improper_Z_CA_X_Y | |
| 18316 1654 1653 1649 1657 1 improper_Z_CA_X_Y | |
| 18317 1655 1657 1659 1660 1 improper_Z_CA_X_Y | |
| 18318 1658 1657 1653 1659 1 improper_Z_CA_X_Y | |
| 18319 1661 1665 1663 1664 1 improper_Z_N_X_Y | |
| 18320 1665 1687 1685 1686 1 improper_O_C_X_Y | |
| 18321 1673 1678 1676 1677 1 improper_Z_N_X_Y | |
| 18322 1676 1679 1678 1682 1 improper_O_C_X_Y | |
| 18323 1678 1680 1679 1681 1 improper_Z_N_X_Y | |
| 18324 1678 1683 1682 1684 1 improper_Z_N_X_Y | |
| 18325 1685 1689 1687 1688 1 improper_Z_N_X_Y | |
| 18326 1689 1701 1699 1700 1 improper_O_C_X_Y | |
| 18327 1691 1696 1694 1695 1 improper_O_C_X_Y | |
| 18328 1694 1697 1696 1698 1 improper_Z_N_X_Y | |
| 18329 1699 1703 1701 1702 1 improper_Z_N_X_Y | |
| 18330 1703 1725 1723 1724 1 improper_O_C_X_Y | |
| 18331 1711 1716 1714 1715 1 improper_Z_N_X_Y | |
| 18332 1714 1717 1716 1720 1 improper_O_C_X_Y | |
| 18333 1716 1718 1717 1719 1 improper_Z_N_X_Y | |
| 18334 1716 1721 1720 1722 1 improper_Z_N_X_Y | |
| 18335 1723 1727 1725 1726 1 improper_Z_N_X_Y | |
| 18336 1727 1735 1733 1734 1 improper_O_C_X_Y | |
| 18337 1733 1737 1735 1736 1 improper_Z_N_X_Y | |
| 18338 1737 1757 1755 1756 1 improper_O_C_X_Y | |
| 18339 1755 1759 1757 1758 1 improper_Z_N_X_Y | |
| 18340 1759 1764 1762 1763 1 improper_O_C_X_Y | |
| 18341 1762 1766 1764 1765 1 improper_Z_N_X_Y | |
| 18342 1766 1778 1776 1777 1 improper_O_C_X_Y | |
| 18343 1776 1780 1778 1779 1 improper_Z_N_X_Y | |
| 18344 1780 1790 1788 1789 1 improper_O_C_X_Y | |
| 18345 1782 1786 1785 1787 1 improper_O_C_X_Y | |
| 18346 1788 1792 1790 1791 1 improper_Z_N_X_Y | |
| 18347 1792 1806 1804 1805 1 improper_O_C_X_Y | |
| 18348 1804 1808 1806 1807 1 improper_Z_N_X_Y | |
| 18349 1808 1823 1821 1822 1 improper_O_C_X_Y | |
| 18350 1813 1818 1816 1817 1 improper_O_C_X_Y | |
| 18351 1816 1819 1818 1820 1 improper_Z_N_X_Y | |
| 18352 1821 1825 1823 1824 1 improper_Z_N_X_Y | |
| 18353 1825 1833 1831 1832 1 improper_O_C_X_Y | |
| 18354 1831 1835 1833 1834 1 improper_Z_N_X_Y | |
| 18355 1835 1857 1855 1856 1 improper_O_C_X_Y | |
| 18356 1837 1840 1843 1841 1 improper_Z_CA_X_Y | |
| 18357 1840 1844 1841 1842 1 improper_Z_CA_X_Y | |
| 18358 1841 1846 1844 1845 1 improper_Z_N_X_Y | |
| 18359 1846 1853 1849 1850 1 improper_Z_CA_X_Y | |
| 18360 1848 1847 1843 1851 1 improper_Z_CA_X_Y | |
| 18361 1849 1851 1853 1854 1 improper_Z_CA_X_Y | |
| 18362 1852 1851 1847 1853 1 improper_Z_CA_X_Y | |
| 18363 1855 1859 1857 1858 1 improper_Z_N_X_Y | |
| 18364 1859 1876 1874 1875 1 improper_O_C_X_Y | |
| 18365 1874 1878 1876 1877 1 improper_Z_N_X_Y | |
| 18366 1878 1900 1898 1899 1 improper_O_C_X_Y | |
| 18367 1886 1891 1889 1890 1 improper_Z_N_X_Y | |
| 18368 1889 1892 1891 1895 1 improper_O_C_X_Y | |
| 18369 1891 1893 1892 1894 1 improper_Z_N_X_Y | |
| 18370 1891 1896 1895 1897 1 improper_Z_N_X_Y | |
| 18371 1898 1902 1900 1901 1 improper_Z_N_X_Y | |
| 18372 1902 1907 1905 1906 1 improper_O_C_X_Y | |
| 18373 1905 1909 1907 1908 1 improper_Z_N_X_Y | |
| 18374 1909 1917 1915 1916 1 improper_O_C_X_Y | |
| 18375 1915 1919 1917 1918 1 improper_Z_N_X_Y | |
| 18376 1919 1941 1939 1940 1 improper_O_C_X_Y | |
| 18377 1927 1932 1930 1931 1 improper_Z_N_X_Y | |
| 18378 1930 1933 1932 1936 1 improper_O_C_X_Y | |
| 18379 1932 1934 1933 1935 1 improper_Z_N_X_Y | |
| 18380 1932 1937 1936 1938 1 improper_Z_N_X_Y | |
| 18381 1939 1943 1941 1942 1 improper_Z_N_X_Y | |
| 18382 1943 1959 1958 1960 1 improper_O_C_X_Y | |
| 18383 | 884 |
| 18384 ; Include Position restraint file | 885 ; Include Position restraint file |
| 18385 #ifdef POSRES | 886 #ifdef POSRES |
| 18386 #include "posres.itp" | 887 #include "posres.itp" |
| 18387 #endif | 888 #endif |
| 18399 ; Include topology for ions | 900 ; Include topology for ions |
| 18400 #include "oplsaa.ff/ions.itp" | 901 #include "oplsaa.ff/ions.itp" |
| 18401 | 902 |
| 18402 [ system ] | 903 [ system ] |
| 18403 ; Name | 904 ; Name |
| 18404 LYSOZYME | 905 TEST |
| 18405 | 906 |
| 18406 [ molecules ] | 907 [ molecules ] |
| 18407 ; Compound #mols | 908 ; Compound #mols |
| 18408 Protein_chain_A 1 | 909 Protein 1 |
| 18409 SOL 78 |
