| Chain sequence(s) |
A: MHSSALLCCLVLLTGVRAQLQLVESGGGLVKPGGSLRLSCAASRSIFVNYPMGWYRQAPGKQRELVAGITSGGRTDYGESVKGRFTFSRDNAKNSVYLQMNSLRAEDTAVYYCGAAFLESTNEYLIWGQGTTVTVSSGGGGSGGGGSGGGGSDFQLTQSPSTLSASVGDRVTITCSASSSVSYMHWFQQKPGTAPKRWIYDTSKLASGVPSRFSGSGSGTEYTLTISSLQPDDFATYYCQQWSFEPPNTFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
C: MGWSCIILFLVATATGVHSQIQLVQSGAEVKKPGASVKVSCKASGYTFTKYGMNWVRQAPGQGLEWMGWINTYTGEPTYADDFKGRITFTLDTSTSTAYMELSSLRSEDTAVYFCARDHGKYAMDYWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLYITREPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK B: MHSSALLCCLVLLTGVRAQLQLVESGGGLVKPGGSLRLSCAASRSIFVNYPMGWYRQAPGKQRELVAGITSGGRTDYGESVKGRFTFSRDNAKNSVYLQMNSLRAEDTAVYYCGAAFLESTNEYLIWGQGTTVTVSSGGGGSGGGGSGGGGSDFQLTQSPSTLSASVGDRVTITCSASSSVSYMHWFQQKPGTAPKRWIYDTSKLASGVPSRFSGSGSGTEYTLTISSLQPDDFATYYCQQWSFEPPNTFGQGTRLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC D: MGWSCIILFLVATATGVHSQIQLVQSGAEVKKPGASVKVSCKASGYTFTKYGMNWVRQAPGQGLEWMGWINTYTGEPTYADDFKGRITFTLDTSTSTAYMELSSLRSEDTAVYFCARDHGKYAMDYWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLYITREPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK input PDB |
| Selected Chain(s) | A,C,B,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:05)
[INFO] FoldX: Starting FoldX energy minimization (00:00:05)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:14:26)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/c67ba750b40454f/tmp/folded.pdb (00:14:26)
[INFO] Main: Simulation completed successfully. (00:22:31)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 1 | M | A | 0.4852 | |
| 2 | H | A | -0.6394 | |
| 3 | S | A | -0.2671 | |
| 4 | S | A | 0.2475 | |
| 5 | A | A | 1.0929 | |
| 6 | L | A | 2.5927 | |
| 7 | L | A | 3.1334 | |
| 8 | C | A | 3.1545 | |
| 9 | C | A | 3.4347 | |
| 10 | L | A | 4.0448 | |
| 11 | V | A | 4.1803 | |
| 12 | L | A | 3.7641 | |
| 13 | L | A | 3.3384 | |
| 14 | T | A | 1.6157 | |
| 15 | G | A | 0.8104 | |
| 16 | V | A | 0.7827 | |
| 17 | R | A | -1.4132 | |
| 18 | A | A | -1.3160 | |
| 19 | Q | A | -1.8294 | |
| 20 | L | A | 0.0000 | |
| 21 | Q | A | -1.1064 | |
| 22 | L | A | 0.0000 | |
| 23 | V | A | 1.1664 | |
| 24 | E | A | 0.1590 | |
| 25 | S | A | -0.4851 | |
| 26 | G | A | -1.0021 | |
| 27 | G | A | -0.4150 | |
| 28 | G | A | 0.2957 | |
| 29 | L | A | 1.1761 | |
| 30 | V | A | -0.1756 | |
| 31 | K | A | -1.6374 | |
| 32 | P | A | -1.7689 | |
| 33 | G | A | -1.4958 | |
| 34 | G | A | -1.0677 | |
| 35 | S | A | -1.3143 | |
| 36 | L | A | -1.0366 | |
| 37 | R | A | -2.1402 | |
| 38 | L | A | 0.0000 | |
| 39 | S | A | -0.4769 | |
| 40 | C | A | 0.0000 | |
| 41 | A | A | -0.3611 | |
| 42 | A | A | -0.9949 | |
| 43 | S | A | -1.3699 | |
| 44 | R | A | -2.3594 | |
| 45 | S | A | -1.0178 | |
| 46 | I | A | 0.0000 | |
| 47 | F | A | 1.6864 | |
| 48 | V | A | 1.4001 | |
| 49 | N | A | 0.3244 | |
| 50 | Y | A | 0.5655 | |
| 51 | P | A | 0.0000 | |
| 52 | M | A | 0.0000 | |
| 53 | G | A | 0.0000 | |
| 54 | W | A | 0.0000 | |
| 55 | Y | A | 0.1307 | |
| 56 | R | A | 0.0000 | |
| 57 | Q | A | -1.3536 | |
| 58 | A | A | -1.5500 | |
| 59 | P | A | -1.4060 | |
| 60 | G | A | -1.7032 | |
| 61 | K | A | -2.7096 | |
| 62 | Q | A | -2.4838 | |
| 63 | R | A | -1.6360 | |
| 64 | E | A | -1.1049 | |
| 65 | L | A | -0.1528 | |
| 66 | V | A | 0.0000 | |
| 67 | A | A | 0.0000 | |
| 68 | G | A | 0.0000 | |
| 69 | I | A | -0.8605 | |
| 70 | T | A | -1.5882 | |
| 71 | S | A | -0.9133 | |
| 72 | G | A | -1.4067 | |
| 73 | G | A | -1.5228 | |
| 74 | R | A | -2.2117 | |
| 75 | T | A | -1.1429 | |
| 76 | D | A | -1.0177 | |
| 77 | Y | A | -0.8594 | |
| 78 | G | A | 0.0000 | |
| 79 | E | A | -2.3491 | |
| 80 | S | A | -1.6327 | |
| 81 | V | A | 0.0000 | |
| 82 | K | A | -2.4315 | |
| 83 | G | A | -1.5668 | |
| 84 | R | A | 0.0000 | |
| 85 | F | A | 0.0000 | |
| 86 | T | A | -0.8265 | |
| 87 | F | A | 0.0000 | |
| 88 | S | A | -0.5363 | |
| 89 | R | A | -1.0537 | |
| 90 | D | A | -1.7194 | |
| 91 | N | A | -1.6618 | |
| 92 | A | A | -1.5140 | |
| 93 | K | A | -2.6501 | |
| 94 | N | A | -1.7419 | |
| 95 | S | A | 0.0000 | |
| 96 | V | A | 0.0000 | |
| 97 | Y | A | -0.6972 | |
| 98 | L | A | 0.0000 | |
| 99 | Q | A | -1.2445 | |
| 100 | M | A | 0.0000 | |
| 101 | N | A | -1.4176 | |
| 102 | S | A | -1.2568 | |
| 103 | L | A | 0.0000 | |
| 104 | R | A | -2.3290 | |
| 105 | A | A | -1.7238 | |
| 106 | E | A | -2.2550 | |
| 107 | D | A | 0.0000 | |
| 108 | T | A | -0.6326 | |
| 109 | A | A | 0.0000 | |
| 110 | V | A | 0.1207 | |
| 111 | Y | A | 0.0000 | |
| 112 | Y | A | 0.1583 | |
| 113 | C | A | 0.0000 | |
| 114 | G | A | 0.0000 | |
| 115 | A | A | 0.0000 | |
| 116 | A | A | 0.0000 | |
| 117 | F | A | 1.2568 | |
| 118 | L | A | 0.4790 | |
| 119 | E | A | -0.6822 | |
| 120 | S | A | -0.8000 | |
| 121 | T | A | -0.8838 | |
| 122 | N | A | -1.2423 | |
| 123 | E | A | -1.6170 | |
| 124 | Y | A | 0.0000 | |
| 125 | L | A | 1.1760 | |
| 126 | I | A | 0.5421 | |
| 127 | W | A | 0.6496 | |
| 128 | G | A | -0.0059 | |
| 129 | Q | A | -0.7845 | |
| 130 | G | A | -0.2505 | |
| 131 | T | A | -0.1676 | |
| 132 | T | A | 0.1449 | |
| 133 | V | A | 0.0000 | |
| 134 | T | A | 0.0141 | |
| 135 | V | A | 0.0000 | |
| 136 | S | A | -0.9359 | |
| 137 | S | A | -1.0998 | |
| 138 | G | A | -1.0800 | |
| 139 | G | A | -0.8332 | |
| 140 | G | A | -1.1576 | |
| 141 | G | A | -1.1524 | |
| 142 | S | A | -1.1202 | |
| 143 | G | A | -1.3298 | |
| 144 | G | A | -1.2913 | |
| 145 | G | A | -1.3703 | |
| 146 | G | A | -1.3133 | |
| 147 | S | A | -1.1412 | |
| 148 | G | A | -1.2018 | |
| 149 | G | A | -1.2552 | |
| 150 | G | A | -1.3615 | |
| 151 | G | A | -1.3225 | |
| 152 | S | A | -1.7095 | |
| 153 | D | A | -2.3359 | |
| 154 | F | A | -1.4798 | |
| 155 | Q | A | -1.8104 | |
| 156 | L | A | 0.0000 | |
| 157 | T | A | -0.8157 | |
| 158 | Q | A | 0.0000 | |
| 159 | S | A | -0.4259 | |
| 160 | P | A | -0.3124 | |
| 161 | S | A | -0.5212 | |
| 162 | T | A | -0.2158 | |
| 163 | L | A | -0.0978 | |
| 164 | S | A | -0.4912 | |
| 165 | A | A | 0.0000 | |
| 166 | S | A | -0.7544 | |
| 167 | V | A | -0.1371 | |
| 168 | G | A | -0.9030 | |
| 169 | D | A | -1.7245 | |
| 170 | R | A | -2.3143 | |
| 171 | V | A | 0.0000 | |
| 172 | T | A | -0.5825 | |
| 173 | I | A | 0.0000 | |
| 174 | T | A | -0.5480 | |
| 175 | C | A | 0.0000 | |
| 176 | S | A | -1.0397 | |
| 177 | A | A | -1.0959 | |
| 178 | S | A | -1.1646 | |
| 179 | S | A | -0.9973 | |
| 180 | S | A | -0.6187 | |
| 181 | V | A | 0.0000 | |
| 182 | S | A | -0.2146 | |
| 183 | Y | A | -0.2001 | |
| 184 | M | A | 0.0000 | |
| 185 | H | A | 0.0000 | |
| 186 | W | A | 0.0000 | |
| 187 | F | A | 0.0000 | |
| 188 | Q | A | 0.0000 | |
| 189 | Q | A | -0.8507 | |
| 190 | K | A | -1.3404 | |
| 191 | P | A | -1.1603 | |
| 192 | G | A | -0.9455 | |
| 193 | T | A | -0.9662 | |
| 194 | A | A | -0.7546 | |
| 195 | P | A | 0.0000 | |
| 196 | K | A | -0.8947 | |
| 197 | R | A | -0.3153 | |
| 198 | W | A | -0.3072 | |
| 199 | I | A | 0.0000 | |
| 200 | Y | A | 0.0000 | |
| 201 | D | A | -1.1311 | |
| 202 | T | A | -0.8619 | |
| 203 | S | A | -0.9127 | |
| 204 | K | A | -0.9872 | |
| 205 | L | A | -0.3328 | |
| 206 | A | A | 0.0000 | |
| 207 | S | A | -0.3958 | |
| 208 | G | A | -0.4377 | |
| 209 | V | A | -0.2297 | |
| 210 | P | A | -0.3237 | |
| 211 | S | A | -0.4013 | |
| 212 | R | A | -0.7656 | |
| 213 | F | A | 0.0000 | |
| 214 | S | A | -0.4796 | |
| 215 | G | A | -0.5934 | |
| 216 | S | A | -0.9406 | |
| 217 | G | A | -1.0925 | |
| 218 | S | A | -0.9983 | |
| 219 | G | A | -0.9346 | |
| 220 | T | A | -1.1670 | |
| 221 | E | A | -1.9414 | |
| 222 | Y | A | 0.0000 | |
| 223 | T | A | -0.6547 | |
| 224 | L | A | 0.0000 | |
| 225 | T | A | -0.5989 | |
| 226 | I | A | 0.0000 | |
| 227 | S | A | -1.3419 | |
| 228 | S | A | -1.2280 | |
| 229 | L | A | 0.0000 | |
| 230 | Q | A | -1.0023 | |
| 231 | P | A | -1.0150 | |
| 232 | D | A | -1.9413 | |
| 233 | D | A | 0.0000 | |
| 234 | F | A | -0.5040 | |
| 235 | A | A | 0.0000 | |
| 236 | T | A | -0.4871 | |
| 237 | Y | A | 0.0000 | |
| 238 | Y | A | 0.0000 | |
| 239 | C | A | 0.0000 | |
| 240 | Q | A | 0.0000 | |
| 241 | Q | A | 0.0000 | |
| 242 | W | A | 0.0000 | |
| 243 | S | A | 0.0553 | |
| 244 | F | A | 0.8541 | |
| 245 | E | A | -0.9836 | |
| 246 | P | A | -0.7716 | |
| 247 | P | A | -0.9352 | |
| 248 | N | A | 0.0000 | |
| 249 | T | A | -0.7357 | |
| 250 | F | A | 0.0000 | |
| 251 | G | A | 0.0000 | |
| 252 | Q | A | -1.4728 | |
| 253 | G | A | 0.0000 | |
| 254 | T | A | 0.0000 | |
| 255 | R | A | -0.5272 | |
| 256 | L | A | 0.0000 | |
| 257 | E | A | 0.0000 | |
| 258 | I | A | -0.4811 | |
| 259 | K | A | -1.1656 | |
| 260 | R | A | -0.8534 | |
| 261 | T | A | -0.0548 | |
| 262 | V | A | 0.5230 | |
| 263 | A | A | 0.1104 | |
| 264 | A | A | -0.0160 | |
| 265 | P | A | 0.0000 | |
| 266 | S | A | -0.1927 | |
| 267 | V | A | 0.0000 | |
| 268 | F | A | 0.0000 | |
| 269 | I | A | 0.0000 | |
| 270 | F | A | 0.0000 | |
| 271 | P | A | -0.6829 | |
| 272 | P | A | -0.8577 | |
| 273 | S | A | -1.9171 | |
| 274 | D | A | -3.2301 | |
| 275 | E | A | -3.2042 | |
| 276 | Q | A | 0.0000 | |
| 277 | L | A | -2.3265 | |
| 278 | K | A | -2.9267 | |
| 279 | S | A | -1.8169 | |
| 280 | G | A | -1.2848 | |
| 281 | T | A | -0.9948 | |
| 282 | A | A | 0.0000 | |
| 283 | S | A | 0.0000 | |
| 284 | V | A | 0.0000 | |
| 285 | V | A | 0.0000 | |
| 286 | C | A | 0.0000 | |
| 287 | L | A | 0.0000 | |
| 288 | L | A | 0.0000 | |
| 289 | N | A | 0.0000 | |
| 290 | N | A | -0.7507 | |
| 291 | F | A | 0.0000 | |
| 292 | Y | A | 0.0000 | |
| 293 | P | A | -1.2845 | |
| 294 | R | A | -2.0995 | |
| 295 | E | A | -2.7889 | |
| 296 | A | A | -2.1155 | |
| 297 | K | A | -2.5885 | |
| 298 | V | A | 0.0000 | |
| 299 | Q | A | -0.7333 | |
| 300 | W | A | 0.0000 | |
| 301 | K | A | -0.5628 | |
| 302 | V | A | 0.0000 | |
| 303 | D | A | -1.8826 | |
| 304 | N | A | -1.5050 | |
| 305 | A | A | -0.2523 | |
| 306 | L | A | 0.7029 | |
| 307 | Q | A | -0.2691 | |
| 308 | S | A | -0.6235 | |
| 309 | G | A | -1.2139 | |
| 310 | N | A | -1.4960 | |
| 311 | S | A | -1.3499 | |
| 312 | Q | A | -1.2899 | |
| 313 | E | A | -1.6206 | |
| 314 | S | A | -0.5576 | |
| 315 | V | A | -0.5146 | |
| 316 | T | A | -1.0725 | |
| 317 | E | A | -2.1962 | |
| 318 | Q | A | -1.7942 | |
| 319 | D | A | -2.0328 | |
| 320 | S | A | -1.7444 | |
| 321 | K | A | -2.2452 | |
| 322 | D | A | -1.6577 | |
| 323 | S | A | 0.0000 | |
| 324 | T | A | 0.0000 | |
| 325 | Y | A | 0.0000 | |
| 326 | S | A | 0.0000 | |
| 327 | L | A | 0.0000 | |
| 328 | S | A | 0.0000 | |
| 329 | S | A | 0.0000 | |
| 330 | T | A | -0.6338 | |
| 331 | L | A | 0.0000 | |
| 332 | T | A | -0.5839 | |
| 333 | L | A | -0.6706 | |
| 334 | S | A | -0.8815 | |
| 335 | K | A | -1.8676 | |
| 336 | A | A | -1.6383 | |
| 337 | D | A | -2.1276 | |
| 338 | Y | A | 0.0000 | |
| 339 | E | A | -3.1826 | |
| 340 | K | A | -3.3975 | |
| 341 | H | A | -2.8249 | |
| 342 | K | A | -3.1656 | |
| 343 | V | A | -1.5926 | |
| 344 | Y | A | 0.0000 | |
| 345 | A | A | 0.0000 | |
| 346 | C | A | 0.0000 | |
| 347 | E | A | -0.6309 | |
| 348 | V | A | 0.0000 | |
| 349 | T | A | -1.2598 | |
| 350 | H | A | 0.0000 | |
| 351 | Q | A | -1.6532 | |
| 352 | G | A | -0.3830 | |
| 353 | L | A | -0.2306 | |
| 354 | S | A | -0.4705 | |
| 355 | S | A | -0.4300 | |
| 356 | P | A | -0.5628 | |
| 357 | V | A | 0.2338 | |
| 358 | T | A | -0.2187 | |
| 359 | K | A | -0.3930 | |
| 360 | S | A | -0.3975 | |
| 361 | F | A | 0.0000 | |
| 362 | N | A | -1.7730 | |
| 363 | R | A | -2.4048 | |
| 364 | G | A | -1.9354 | |
| 365 | E | A | -2.1343 | |
| 366 | C | A | -1.0150 | |
| 1 | M | B | 0.4880 | |
| 2 | H | B | -0.6411 | |
| 3 | S | B | -0.2699 | |
| 4 | S | B | 0.2394 | |
| 5 | A | B | 1.0842 | |
| 6 | L | B | 2.5825 | |
| 7 | L | B | 3.1203 | |
| 8 | C | B | 3.1226 | |
| 9 | C | B | 3.4006 | |
| 10 | L | B | 4.0184 | |
| 11 | V | B | 4.1629 | |
| 12 | L | B | 3.7680 | |
| 13 | L | B | 3.3562 | |
| 14 | T | B | 1.6489 | |
| 15 | G | B | 0.8958 | |
| 16 | V | B | 0.8384 | |
| 17 | R | B | -1.3486 | |
| 18 | A | B | -1.2333 | |
| 19 | Q | B | -1.7341 | |
| 20 | L | B | -1.2724 | |
| 21 | Q | B | -0.9617 | |
| 22 | L | B | 0.0000 | |
| 23 | V | B | 1.1813 | |
| 24 | E | B | 0.1603 | |
| 25 | S | B | -0.4968 | |
| 26 | G | B | -1.0052 | |
| 27 | G | B | -0.4207 | |
| 28 | G | B | 0.2792 | |
| 29 | L | B | 1.0982 | |
| 30 | V | B | -0.2348 | |
| 31 | K | B | -1.7722 | |
| 32 | P | B | -1.8607 | |
| 33 | G | B | -1.3872 | |
| 34 | G | B | -1.0062 | |
| 35 | S | B | -1.2705 | |
| 36 | L | B | -1.0106 | |
| 37 | R | B | -2.1444 | |
| 38 | L | B | 0.0000 | |
| 39 | S | B | -0.4769 | |
| 40 | C | B | 0.0000 | |
| 41 | A | B | -0.3519 | |
| 42 | A | B | -0.8761 | |
| 43 | S | B | -1.2900 | |
| 44 | R | B | -2.2767 | |
| 45 | S | B | -0.8343 | |
| 46 | I | B | 0.0000 | |
| 47 | F | B | 1.9999 | |
| 48 | V | B | 1.7311 | |
| 49 | N | B | 0.3966 | |
| 50 | Y | B | 0.7832 | |
| 51 | P | B | 0.0000 | |
| 52 | M | B | 0.0000 | |
| 53 | G | B | 0.0000 | |
| 54 | W | B | 0.0000 | |
| 55 | Y | B | 0.1134 | |
| 56 | R | B | 0.0000 | |
| 57 | Q | B | -1.3291 | |
| 58 | A | B | -1.5032 | |
| 59 | P | B | -1.3525 | |
| 60 | G | B | -1.6255 | |
| 61 | K | B | -2.5484 | |
| 62 | Q | B | -2.4524 | |
| 63 | R | B | -1.6211 | |
| 64 | E | B | -1.1184 | |
| 65 | L | B | -0.0735 | |
| 66 | V | B | 0.0000 | |
| 67 | A | B | 0.0000 | |
| 68 | G | B | 0.0000 | |
| 69 | I | B | -0.8764 | |
| 70 | T | B | -1.6175 | |
| 71 | S | B | -0.9261 | |
| 72 | G | B | -1.4136 | |
| 73 | G | B | -1.5102 | |
| 74 | R | B | -2.2328 | |
| 75 | T | B | -1.1561 | |
| 76 | D | B | -1.1237 | |
| 77 | Y | B | -1.0392 | |
| 78 | G | B | -1.2202 | |
| 79 | E | B | -2.4123 | |
| 80 | S | B | -1.7092 | |
| 81 | V | B | 0.0000 | |
| 82 | K | B | -2.5533 | |
| 83 | G | B | -1.6826 | |
| 84 | R | B | -1.4066 | |
| 85 | F | B | 0.0000 | |
| 86 | T | B | -0.9005 | |
| 87 | F | B | 0.0000 | |
| 88 | S | B | -0.4616 | |
| 89 | R | B | -0.8456 | |
| 90 | D | B | -1.4120 | |
| 91 | N | B | -0.9954 | |
| 92 | A | B | -1.2070 | |
| 93 | K | B | -2.4480 | |
| 94 | N | B | -1.4587 | |
| 95 | S | B | 0.0000 | |
| 96 | V | B | 0.0000 | |
| 97 | Y | B | -0.6934 | |
| 98 | L | B | 0.0000 | |
| 99 | Q | B | -1.2872 | |
| 100 | M | B | 0.0000 | |
| 101 | N | B | -1.4490 | |
| 102 | S | B | -1.1957 | |
| 103 | L | B | 0.0000 | |
| 104 | R | B | -2.3393 | |
| 105 | A | B | -1.7026 | |
| 106 | E | B | -2.2668 | |
| 107 | D | B | 0.0000 | |
| 108 | T | B | -0.6528 | |
| 109 | A | B | 0.0000 | |
| 110 | V | B | 0.1129 | |
| 111 | Y | B | 0.0000 | |
| 112 | Y | B | 0.1493 | |
| 113 | C | B | 0.0000 | |
| 114 | G | B | 0.0000 | |
| 115 | A | B | 0.0000 | |
| 116 | A | B | 0.0000 | |
| 117 | F | B | 1.2236 | |
| 118 | L | B | 0.3804 | |
| 119 | E | B | -0.8077 | |
| 120 | S | B | -0.8781 | |
| 121 | T | B | -0.9591 | |
| 122 | N | B | -1.3237 | |
| 123 | E | B | -1.6784 | |
| 124 | Y | B | 0.0000 | |
| 125 | L | B | 1.2060 | |
| 126 | I | B | 0.6094 | |
| 127 | W | B | 0.6912 | |
| 128 | G | B | 0.0259 | |
| 129 | Q | B | -0.7786 | |
| 130 | G | B | -0.2548 | |
| 131 | T | B | -0.1768 | |
| 132 | T | B | 0.1368 | |
| 133 | V | B | 0.0000 | |
| 134 | T | B | 0.0082 | |
| 135 | V | B | 0.0000 | |
| 136 | S | B | -1.0904 | |
| 137 | S | B | -1.4776 | |
| 138 | G | B | -1.2217 | |
| 139 | G | B | -1.2221 | |
| 140 | G | B | -1.4798 | |
| 141 | G | B | -1.5595 | |
| 142 | S | B | -1.6203 | |
| 143 | G | B | -1.2410 | |
| 144 | G | B | -1.3173 | |
| 145 | G | B | -1.2166 | |
| 146 | G | B | -1.1765 | |
| 147 | S | B | -1.1356 | |
| 148 | G | B | -1.2471 | |
| 149 | G | B | -1.4322 | |
| 150 | G | B | -1.5390 | |
| 151 | G | B | -2.0945 | |
| 152 | S | B | -2.0827 | |
| 153 | D | B | -2.4748 | |
| 154 | F | B | -1.4221 | |
| 155 | Q | B | -1.6137 | |
| 156 | L | B | 0.0000 | |
| 157 | T | B | -0.7968 | |
| 158 | Q | B | 0.0000 | |
| 159 | S | B | -0.4471 | |
| 160 | P | B | -0.3267 | |
| 161 | S | B | -0.5270 | |
| 162 | T | B | -0.2163 | |
| 163 | L | B | -0.0977 | |
| 164 | S | B | -0.4889 | |
| 165 | A | B | 0.0000 | |
| 166 | S | B | -0.7452 | |
| 167 | V | B | -0.1483 | |
| 168 | G | B | -0.9296 | |
| 169 | D | B | -1.7657 | |
| 170 | R | B | -2.3494 | |
| 171 | V | B | 0.0000 | |
| 172 | T | B | -0.5960 | |
| 173 | I | B | 0.0000 | |
| 174 | T | B | -0.5593 | |
| 175 | C | B | 0.0000 | |
| 176 | S | B | -1.0340 | |
| 177 | A | B | -0.8977 | |
| 178 | S | B | -1.0791 | |
| 179 | S | B | -0.8959 | |
| 180 | S | B | -0.6619 | |
| 181 | V | B | 0.0000 | |
| 182 | S | B | -0.1855 | |
| 183 | Y | B | -0.1114 | |
| 184 | M | B | 0.0000 | |
| 185 | H | B | 0.0000 | |
| 186 | W | B | 0.0000 | |
| 187 | F | B | 0.0000 | |
| 188 | Q | B | 0.0000 | |
| 189 | Q | B | -0.8613 | |
| 190 | K | B | -1.3461 | |
| 191 | P | B | -1.1654 | |
| 192 | G | B | -0.9461 | |
| 193 | T | B | -0.9705 | |
| 194 | A | B | -0.7623 | |
| 195 | P | B | 0.0000 | |
| 196 | K | B | -0.9339 | |
| 197 | R | B | -0.3115 | |
| 198 | W | B | -0.4131 | |
| 199 | I | B | 0.0000 | |
| 200 | Y | B | 0.0000 | |
| 201 | D | B | -1.2437 | |
| 202 | T | B | -1.0880 | |
| 203 | S | B | -1.2317 | |
| 204 | K | B | -1.5599 | |
| 205 | L | B | -0.6636 | |
| 206 | A | B | 0.0000 | |
| 207 | S | B | -0.4687 | |
| 208 | G | B | -0.4398 | |
| 209 | V | B | -0.2981 | |
| 210 | P | B | -0.3243 | |
| 211 | S | B | -0.4176 | |
| 212 | R | B | -0.8017 | |
| 213 | F | B | 0.0000 | |
| 214 | S | B | -0.5955 | |
| 215 | G | B | -0.7299 | |
| 216 | S | B | -1.0167 | |
| 217 | G | B | -1.1242 | |
| 218 | S | B | -1.0165 | |
| 219 | G | B | -0.9648 | |
| 220 | T | B | -1.2109 | |
| 221 | E | B | -1.9795 | |
| 222 | Y | B | 0.0000 | |
| 223 | T | B | -0.6650 | |
| 224 | L | B | 0.0000 | |
| 225 | T | B | -0.6124 | |
| 226 | I | B | 0.0000 | |
| 227 | S | B | -1.3922 | |
| 228 | S | B | -1.2759 | |
| 229 | L | B | 0.0000 | |
| 230 | Q | B | -1.0128 | |
| 231 | P | B | -1.0109 | |
| 232 | D | B | -1.9444 | |
| 233 | D | B | 0.0000 | |
| 234 | F | B | -0.4935 | |
| 235 | A | B | 0.0000 | |
| 236 | T | B | -0.4881 | |
| 237 | Y | B | 0.0000 | |
| 238 | Y | B | 0.0000 | |
| 239 | C | B | 0.0000 | |
| 240 | Q | B | 0.0000 | |
| 241 | Q | B | 0.0000 | |
| 242 | W | B | 0.0000 | |
| 243 | S | B | 0.0000 | |
| 244 | F | B | 0.8824 | |
| 245 | E | B | -1.2090 | |
| 246 | P | B | -1.1905 | |
| 247 | P | B | -1.1092 | |
| 248 | N | B | 0.0000 | |
| 249 | T | B | -0.6580 | |
| 250 | F | B | 0.0000 | |
| 251 | G | B | 0.0000 | |
| 252 | Q | B | -1.4343 | |
| 253 | G | B | 0.0000 | |
| 254 | T | B | 0.0000 | |
| 255 | R | B | -0.5263 | |
| 256 | L | B | 0.0000 | |
| 257 | E | B | 0.0000 | |
| 258 | I | B | -0.4706 | |
| 259 | K | B | -1.1985 | |
| 260 | R | B | -0.9110 | |
| 261 | T | B | -0.1153 | |
| 262 | V | B | 0.4271 | |
| 263 | A | B | 0.0723 | |
| 264 | A | B | -0.0404 | |
| 265 | P | B | 0.0000 | |
| 266 | S | B | -0.2001 | |
| 267 | V | B | 0.0000 | |
| 268 | F | B | 0.0000 | |
| 269 | I | B | 0.0000 | |
| 270 | F | B | 0.0000 | |
| 271 | P | B | -0.6492 | |
| 272 | P | B | -0.8047 | |
| 273 | S | B | -1.8139 | |
| 274 | D | B | -3.1198 | |
| 275 | E | B | -3.0939 | |
| 276 | Q | B | 0.0000 | |
| 277 | L | B | -2.3028 | |
| 278 | K | B | -2.8753 | |
| 279 | S | B | -1.7791 | |
| 280 | G | B | -1.2464 | |
| 281 | T | B | -0.9535 | |
| 282 | A | B | 0.0000 | |
| 283 | S | B | 0.0000 | |
| 284 | V | B | 0.0000 | |
| 285 | V | B | 0.0000 | |
| 286 | C | B | 0.0000 | |
| 287 | L | B | 0.0000 | |
| 288 | L | B | 0.0000 | |
| 289 | N | B | 0.0000 | |
| 290 | N | B | -0.7333 | |
| 291 | F | B | 0.0000 | |
| 292 | Y | B | 0.0000 | |
| 293 | P | B | -1.2875 | |
| 294 | R | B | -2.0519 | |
| 295 | E | B | -2.7638 | |
| 296 | A | B | -2.0578 | |
| 297 | K | B | -2.3556 | |
| 298 | V | B | -1.0843 | |
| 299 | Q | B | -0.5993 | |
| 300 | W | B | 0.0000 | |
| 301 | K | B | -0.5138 | |
| 302 | V | B | 0.0000 | |
| 303 | D | B | -1.9143 | |
| 304 | N | B | -1.5103 | |
| 305 | A | B | -0.2495 | |
| 306 | L | B | 0.7134 | |
| 307 | Q | B | -0.2650 | |
| 308 | S | B | -0.6198 | |
| 309 | G | B | -1.2145 | |
| 310 | N | B | -1.4957 | |
| 311 | S | B | -1.3152 | |
| 312 | Q | B | -1.2466 | |
| 313 | E | B | -1.3960 | |
| 314 | S | B | -0.5461 | |
| 315 | V | B | -0.4934 | |
| 316 | T | B | 0.0000 | |
| 317 | E | B | -2.1444 | |
| 318 | Q | B | -1.7106 | |
| 319 | D | B | -1.9399 | |
| 320 | S | B | -1.7374 | |
| 321 | K | B | -2.2676 | |
| 322 | D | B | -1.7395 | |
| 323 | S | B | -1.7059 | |
| 324 | T | B | 0.0000 | |
| 325 | Y | B | 0.0000 | |
| 326 | S | B | 0.0000 | |
| 327 | L | B | 0.0000 | |
| 328 | S | B | 0.0000 | |
| 329 | S | B | 0.0000 | |
| 330 | T | B | -0.6222 | |
| 331 | L | B | 0.0000 | |
| 332 | T | B | -0.5712 | |
| 333 | L | B | -0.6865 | |
| 334 | S | B | -0.8959 | |
| 335 | K | B | -1.8952 | |
| 336 | A | B | -1.7213 | |
| 337 | D | B | -2.2045 | |
| 338 | Y | B | 0.0000 | |
| 339 | E | B | -3.5227 | |
| 340 | K | B | -3.5778 | |
| 341 | H | B | -2.9921 | |
| 342 | K | B | -3.3134 | |
| 343 | V | B | -1.6079 | |
| 344 | Y | B | 0.0000 | |
| 345 | A | B | 0.0000 | |
| 346 | C | B | 0.0000 | |
| 347 | E | B | -0.6290 | |
| 348 | V | B | 0.0000 | |
| 349 | T | B | -1.2239 | |
| 350 | H | B | 0.0000 | |
| 351 | Q | B | -1.6627 | |
| 352 | G | B | -0.4087 | |
| 353 | L | B | -0.2601 | |
| 354 | S | B | -0.4827 | |
| 355 | S | B | -0.4554 | |
| 356 | P | B | -0.6111 | |
| 357 | V | B | 0.1048 | |
| 358 | T | B | -0.3342 | |
| 359 | K | B | -0.6418 | |
| 360 | S | B | -0.5030 | |
| 361 | F | B | 0.0000 | |
| 362 | N | B | -1.8657 | |
| 363 | R | B | -2.5162 | |
| 364 | G | B | -2.0752 | |
| 365 | E | B | -2.6751 | |
| 366 | C | B | -1.8010 | |
| 1 | M | C | 1.1047 | |
| 2 | G | C | 0.6592 | |
| 3 | W | C | 1.6376 | |
| 4 | S | C | 1.6452 | |
| 5 | C | C | 2.7521 | |
| 6 | I | C | 4.2442 | |
| 7 | I | C | 4.7975 | |
| 8 | L | C | 4.9925 | |
| 9 | F | C | 5.0022 | |
| 10 | L | C | 4.1794 | |
| 11 | V | C | 3.4420 | |
| 12 | A | C | 1.7246 | |
| 13 | T | C | 0.7376 | |
| 14 | A | C | 0.4532 | |
| 15 | T | C | 0.0805 | |
| 16 | G | C | 0.0715 | |
| 17 | V | C | 0.7695 | |
| 18 | H | C | -0.7026 | |
| 19 | S | C | -0.9108 | |
| 20 | Q | C | -1.4666 | |
| 21 | I | C | -0.9231 | |
| 22 | Q | C | -1.3441 | |
| 23 | L | C | 0.0000 | |
| 24 | V | C | -0.0406 | |
| 25 | Q | C | 0.0000 | |
| 26 | S | C | -0.6338 | |
| 27 | G | C | -0.6526 | |
| 28 | A | C | -0.2925 | |
| 29 | E | C | -0.5194 | |
| 30 | V | C | 0.0863 | |
| 31 | K | C | -1.2713 | |
| 32 | K | C | -2.3069 | |
| 33 | P | C | -2.2767 | |
| 34 | G | C | -1.6358 | |
| 35 | A | C | -1.1559 | |
| 36 | S | C | -1.3637 | |
| 37 | V | C | 0.0000 | |
| 38 | K | C | -1.8708 | |
| 39 | V | C | 0.0000 | |
| 40 | S | C | -0.6096 | |
| 41 | C | C | 0.0000 | |
| 42 | K | C | -1.0559 | |
| 43 | A | C | 0.0000 | |
| 44 | S | C | -0.7963 | |
| 45 | G | C | -0.8009 | |
| 46 | Y | C | -0.5055 | |
| 47 | T | C | -0.5018 | |
| 48 | F | C | 0.0000 | |
| 49 | T | C | -0.3874 | |
| 50 | K | C | -1.4341 | |
| 51 | Y | C | -0.6608 | |
| 52 | G | C | -0.5523 | |
| 53 | M | C | 0.0000 | |
| 54 | N | C | 0.0000 | |
| 55 | W | C | 0.0000 | |
| 56 | V | C | 0.0000 | |
| 57 | R | C | -0.5813 | |
| 58 | Q | C | -0.7980 | |
| 59 | A | C | -1.0949 | |
| 60 | P | C | -1.0232 | |
| 61 | G | C | -1.2101 | |
| 62 | Q | C | -1.8836 | |
| 63 | G | C | -1.4128 | |
| 64 | L | C | 0.0000 | |
| 65 | E | C | -1.2812 | |
| 66 | W | C | 0.0000 | |
| 67 | M | C | 0.0000 | |
| 68 | G | C | 0.0000 | |
| 69 | W | C | -0.0973 | |
| 70 | I | C | 0.0000 | |
| 71 | N | C | -0.7851 | |
| 72 | T | C | 0.0000 | |
| 73 | Y | C | 0.4655 | |
| 74 | T | C | -0.2450 | |
| 75 | G | C | -0.9267 | |
| 76 | E | C | -1.8502 | |
| 77 | P | C | -1.0070 | |
| 78 | T | C | -1.0333 | |
| 79 | Y | C | -1.0572 | |
| 80 | A | C | 0.0000 | |
| 81 | D | C | -3.2504 | |
| 82 | D | C | -3.2202 | |
| 83 | F | C | 0.0000 | |
| 84 | K | C | -3.1177 | |
| 85 | G | C | -1.9904 | |
| 86 | R | C | -1.6325 | |
| 87 | I | C | 0.0000 | |
| 88 | T | C | -0.8694 | |
| 89 | F | C | 0.0000 | |
| 90 | T | C | -0.5714 | |
| 91 | L | C | -0.2432 | |
| 92 | D | C | -0.8075 | |
| 93 | T | C | -0.4450 | |
| 94 | S | C | -0.4725 | |
| 95 | T | C | -0.6081 | |
| 96 | S | C | -0.6358 | |
| 97 | T | C | 0.0000 | |
| 98 | A | C | 0.0000 | |
| 99 | Y | C | -0.5051 | |
| 100 | M | C | 0.0000 | |
| 101 | E | C | -1.4709 | |
| 102 | L | C | 0.0000 | |
| 103 | S | C | -1.1820 | |
| 104 | S | C | -1.2887 | |
| 105 | L | C | 0.0000 | |
| 106 | R | C | -3.1038 | |
| 107 | S | C | -2.3907 | |
| 108 | E | C | -2.5746 | |
| 109 | D | C | 0.0000 | |
| 110 | T | C | -0.9775 | |
| 111 | A | C | 0.0000 | |
| 112 | V | C | 0.1903 | |
| 113 | Y | C | 0.0000 | |
| 114 | F | C | 0.0000 | |
| 115 | C | C | 0.0000 | |
| 116 | A | C | 0.0000 | |
| 117 | R | C | 0.0000 | |
| 118 | D | C | -0.4949 | |
| 119 | H | C | -0.6489 | |
| 120 | G | C | -0.3435 | |
| 121 | K | C | -0.8793 | |
| 122 | Y | C | -0.4360 | |
| 123 | A | C | 0.0000 | |
| 124 | M | C | 0.0000 | |
| 125 | D | C | 0.0000 | |
| 126 | Y | C | -0.0384 | |
| 127 | W | C | -0.1899 | |
| 128 | G | C | 0.0000 | |
| 129 | Q | C | -1.1072 | |
| 130 | G | C | -0.4902 | |
| 131 | T | C | 0.0000 | |
| 132 | T | C | -0.1774 | |
| 133 | V | C | 0.0000 | |
| 134 | T | C | 0.0000 | |
| 135 | V | C | 0.0000 | |
| 136 | S | C | -1.2918 | |
| 137 | S | C | -0.9098 | |
| 138 | A | C | -0.5684 | |
| 139 | S | C | -0.6226 | |
| 140 | T | C | -0.5647 | |
| 141 | K | C | -1.1611 | |
| 142 | G | C | -1.3618 | |
| 143 | P | C | 0.0000 | |
| 144 | S | C | -0.4028 | |
| 145 | V | C | 0.0000 | |
| 146 | F | C | 0.0000 | |
| 147 | P | C | -1.3034 | |
| 148 | L | C | 0.0000 | |
| 149 | A | C | -1.4041 | |
| 150 | P | C | 0.0000 | |
| 151 | S | C | 0.0000 | |
| 152 | S | C | -0.9519 | |
| 153 | K | C | -0.7161 | |
| 154 | S | C | 0.0000 | |
| 155 | T | C | -0.7690 | |
| 156 | S | C | -0.6645 | |
| 157 | G | C | -0.7849 | |
| 158 | G | C | -0.9120 | |
| 159 | T | C | -0.5758 | |
| 160 | A | C | 0.0000 | |
| 161 | A | C | 0.0000 | |
| 162 | L | C | 0.0000 | |
| 163 | G | C | 0.0000 | |
| 164 | C | C | 0.0000 | |
| 165 | L | C | 0.0000 | |
| 166 | V | C | 0.0000 | |
| 167 | K | C | 0.0000 | |
| 168 | D | C | -0.3911 | |
| 169 | Y | C | 0.0000 | |
| 170 | F | C | 0.0000 | |
| 171 | P | C | 0.0000 | |
| 172 | E | C | -0.7433 | |
| 173 | P | C | -0.9874 | |
| 174 | V | C | -0.8956 | |
| 175 | T | C | -0.7377 | |
| 176 | V | C | -0.4373 | |
| 177 | S | C | -0.4332 | |
| 178 | W | C | 0.0000 | |
| 179 | N | C | -0.7129 | |
| 180 | S | C | -0.6476 | |
| 181 | G | C | -0.4727 | |
| 182 | A | C | -0.2209 | |
| 183 | L | C | 0.0407 | |
| 184 | T | C | -0.1400 | |
| 185 | S | C | -0.1463 | |
| 186 | G | C | -0.1499 | |
| 187 | V | C | 0.2147 | |
| 188 | H | C | -0.2989 | |
| 189 | T | C | 0.0313 | |
| 190 | F | C | 0.0000 | |
| 191 | P | C | -0.2918 | |
| 192 | A | C | 0.1262 | |
| 193 | V | C | 0.4099 | |
| 194 | L | C | 0.9338 | |
| 195 | Q | C | 0.2003 | |
| 196 | S | C | -0.1905 | |
| 197 | S | C | -0.2046 | |
| 198 | G | C | -0.0034 | |
| 199 | L | C | -0.0008 | |
| 200 | Y | C | 0.2557 | |
| 201 | S | C | 0.0000 | |
| 202 | L | C | 0.0000 | |
| 203 | S | C | 0.0000 | |
| 204 | S | C | 0.0000 | |
| 205 | V | C | 0.0000 | |
| 206 | V | C | 0.0000 | |
| 207 | T | C | -0.0936 | |
| 208 | V | C | 0.0000 | |
| 209 | P | C | -0.6193 | |
| 210 | S | C | 0.0000 | |
| 211 | S | C | -0.8008 | |
| 212 | S | C | -0.6547 | |
| 213 | L | C | 0.0000 | |
| 214 | G | C | -1.2010 | |
| 215 | T | C | -0.7503 | |
| 216 | Q | C | -1.2102 | |
| 217 | T | C | -1.0774 | |
| 218 | Y | C | 0.0000 | |
| 219 | I | C | -1.1209 | |
| 220 | C | C | 0.0000 | |
| 221 | N | C | -1.5226 | |
| 222 | V | C | 0.0000 | |
| 223 | N | C | -2.3006 | |
| 224 | H | C | 0.0000 | |
| 225 | K | C | -2.8567 | |
| 226 | P | C | -1.6941 | |
| 227 | S | C | -1.8257 | |
| 228 | N | C | -2.6344 | |
| 229 | T | C | -2.1474 | |
| 230 | K | C | -2.8198 | |
| 231 | V | C | -1.6449 | |
| 232 | D | C | -2.4784 | |
| 233 | K | C | -2.0039 | |
| 234 | K | C | -2.2611 | |
| 235 | V | C | 0.0000 | |
| 236 | E | C | -2.9912 | |
| 237 | P | C | -2.3096 | |
| 238 | K | C | -2.6465 | |
| 239 | S | C | -1.4975 | |
| 240 | C | C | -1.5391 | |
| 241 | D | C | -2.1767 | |
| 242 | K | C | -1.5689 | |
| 243 | T | C | -1.1409 | |
| 244 | H | C | -1.2806 | |
| 245 | T | C | -0.5493 | |
| 246 | C | C | 0.0057 | |
| 247 | P | C | -0.2154 | |
| 248 | P | C | -0.0199 | |
| 249 | C | C | 0.2892 | |
| 250 | P | C | -0.4076 | |
| 251 | A | C | -0.5612 | |
| 252 | P | C | -1.1119 | |
| 253 | E | C | -2.0480 | |
| 254 | A | C | -1.0547 | |
| 255 | A | C | -0.6412 | |
| 256 | G | C | -0.9888 | |
| 257 | G | C | -1.0367 | |
| 258 | P | C | 0.0000 | |
| 259 | S | C | -0.1306 | |
| 260 | V | C | 0.0000 | |
| 261 | F | C | 1.1622 | |
| 262 | L | C | 0.8537 | |
| 263 | F | C | 1.0341 | |
| 264 | P | C | -0.2294 | |
| 265 | P | C | 0.0000 | |
| 266 | K | C | -2.4308 | |
| 267 | P | C | -1.5437 | |
| 268 | K | C | -1.4728 | |
| 269 | D | C | -1.7438 | |
| 270 | T | C | 0.0000 | |
| 271 | L | C | 0.0000 | |
| 272 | Y | C | 0.1943 | |
| 273 | I | C | 1.2834 | |
| 274 | T | C | 0.0094 | |
| 275 | R | C | -1.6059 | |
| 276 | E | C | -2.3921 | |
| 277 | P | C | 0.0000 | |
| 278 | E | C | -1.8607 | |
| 279 | V | C | 0.0000 | |
| 280 | T | C | 0.1311 | |
| 281 | C | C | 0.0000 | |
| 282 | V | C | 0.0000 | |
| 283 | V | C | 0.0000 | |
| 284 | V | C | -0.9889 | |
| 285 | D | C | -1.9064 | |
| 286 | V | C | 0.0000 | |
| 287 | S | C | -2.2345 | |
| 288 | H | C | -2.6841 | |
| 289 | E | C | -2.9460 | |
| 290 | D | C | -2.5555 | |
| 291 | P | C | -2.7347 | |
| 292 | E | C | -3.0930 | |
| 293 | V | C | -2.0288 | |
| 294 | K | C | -2.2454 | |
| 295 | F | C | -1.3822 | |
| 296 | N | C | -1.1711 | |
| 297 | W | C | 0.0000 | |
| 298 | Y | C | -0.6974 | |
| 299 | V | C | -1.0140 | |
| 300 | D | C | -2.2668 | |
| 301 | G | C | -0.9554 | |
| 302 | V | C | 0.5392 | |
| 303 | E | C | -0.6628 | |
| 304 | V | C | -0.5804 | |
| 305 | H | C | -1.8836 | |
| 306 | N | C | -2.1537 | |
| 307 | A | C | -1.8495 | |
| 308 | K | C | -2.3311 | |
| 309 | T | C | -1.8094 | |
| 310 | K | C | -2.0235 | |
| 311 | P | C | -2.1816 | |
| 312 | R | C | -3.3172 | |
| 313 | E | C | -3.3132 | |
| 314 | E | C | -3.4652 | |
| 315 | Q | C | -2.1362 | |
| 316 | Y | C | -0.1603 | |
| 317 | N | C | -1.1782 | |
| 318 | S | C | -1.3097 | |
| 319 | T | C | -2.2769 | |
| 320 | Y | C | 0.0000 | |
| 321 | R | C | -2.3711 | |
| 322 | V | C | 0.0000 | |
| 323 | V | C | 0.0000 | |
| 324 | S | C | 0.0000 | |
| 325 | V | C | -0.8849 | |
| 326 | L | C | 0.0000 | |
| 327 | T | C | -1.2038 | |
| 328 | V | C | 0.0000 | |
| 329 | L | C | 0.1629 | |
| 330 | H | C | 0.0000 | |
| 331 | Q | C | -1.1271 | |
| 332 | D | C | -1.5304 | |
| 333 | W | C | 0.0000 | |
| 334 | L | C | -1.0812 | |
| 335 | N | C | -2.1100 | |
| 336 | G | C | 0.0000 | |
| 337 | K | C | -2.5895 | |
| 338 | E | C | -2.6850 | |
| 339 | Y | C | 0.0000 | |
| 340 | K | C | -1.7040 | |
| 341 | C | C | 0.0000 | |
| 342 | K | C | -1.5875 | |
| 343 | V | C | 0.0000 | |
| 344 | S | C | -1.4842 | |
| 345 | N | C | 0.0000 | |
| 346 | K | C | -2.5360 | |
| 347 | A | C | -1.6383 | |
| 348 | L | C | -0.8286 | |
| 349 | P | C | -0.7808 | |
| 350 | A | C | -0.4334 | |
| 351 | P | C | -0.9709 | |
| 352 | I | C | -0.6547 | |
| 353 | E | C | -2.0919 | |
| 354 | K | C | -1.2569 | |
| 355 | T | C | -1.1630 | |
| 356 | I | C | -0.3382 | |
| 357 | S | C | -1.2882 | |
| 358 | K | C | 0.0000 | |
| 359 | A | C | -1.2456 | |
| 360 | K | C | -2.3539 | |
| 361 | G | C | -1.9431 | |
| 362 | Q | C | -1.9416 | |
| 363 | P | C | -1.7243 | |
| 364 | R | C | -2.0458 | |
| 365 | E | C | -2.5020 | |
| 366 | P | C | 0.0000 | |
| 367 | Q | C | -1.4110 | |
| 368 | V | C | 0.0000 | |
| 369 | Y | C | 0.0000 | |
| 370 | T | C | -0.8030 | |
| 371 | L | C | 0.0000 | |
| 372 | P | C | -0.4124 | |
| 373 | P | C | -0.8926 | |
| 374 | S | C | -1.5530 | |
| 375 | R | C | -2.7024 | |
| 376 | D | C | -2.8805 | |
| 377 | E | C | 0.0000 | |
| 378 | L | C | -1.9798 | |
| 379 | T | C | -1.7255 | |
| 380 | K | C | -2.3213 | |
| 381 | N | C | -2.5145 | |
| 382 | Q | C | -2.2392 | |
| 383 | V | C | 0.0000 | |
| 384 | S | C | 0.0000 | |
| 385 | L | C | 0.0000 | |
| 386 | T | C | 0.0000 | |
| 387 | C | C | 0.0000 | |
| 388 | L | C | 0.0000 | |
| 389 | V | C | 0.0000 | |
| 390 | K | C | -0.5425 | |
| 391 | G | C | -1.0397 | |
| 392 | F | C | 0.0000 | |
| 393 | Y | C | -1.0776 | |
| 394 | P | C | 0.0000 | |
| 395 | S | C | -0.2955 | |
| 396 | D | C | -1.3377 | |
| 397 | I | C | -0.7169 | |
| 398 | A | C | -0.6741 | |
| 399 | V | C | 0.0000 | |
| 400 | E | C | -1.2237 | |
| 401 | W | C | 0.0000 | |
| 402 | E | C | -1.6360 | |
| 403 | S | C | 0.0000 | |
| 404 | N | C | -1.7970 | |
| 405 | G | C | -1.7136 | |
| 406 | Q | C | -2.2223 | |
| 407 | P | C | -1.8397 | |
| 408 | E | C | 0.0000 | |
| 409 | N | C | -1.9210 | |
| 410 | N | C | -1.2716 | |
| 411 | Y | C | -0.8698 | |
| 412 | K | C | -0.6559 | |
| 413 | T | C | -0.3716 | |
| 414 | T | C | 0.0000 | |
| 415 | P | C | -0.0401 | |
| 416 | P | C | 0.1497 | |
| 417 | V | C | 0.6643 | |
| 418 | L | C | 0.9971 | |
| 419 | D | C | -0.3092 | |
| 420 | S | C | -1.0204 | |
| 421 | D | C | -1.8155 | |
| 422 | G | C | -0.7323 | |
| 423 | S | C | 0.0000 | |
| 424 | F | C | 0.2230 | |
| 425 | F | C | 0.0000 | |
| 426 | L | C | 0.0000 | |
| 427 | Y | C | 0.0000 | |
| 428 | S | C | 0.0000 | |
| 429 | K | C | 0.0000 | |
| 430 | L | C | 0.0000 | |
| 431 | T | C | -0.7847 | |
| 432 | V | C | 0.0000 | |
| 433 | D | C | -2.3031 | |
| 434 | K | C | -2.5830 | |
| 435 | S | C | -2.1711 | |
| 436 | R | C | -1.8980 | |
| 437 | W | C | 0.0000 | |
| 438 | Q | C | -2.3557 | |
| 439 | Q | C | -2.0917 | |
| 440 | G | C | -1.1494 | |
| 441 | N | C | -0.7574 | |
| 442 | V | C | 0.3057 | |
| 443 | F | C | 0.0000 | |
| 444 | S | C | -0.8815 | |
| 445 | C | C | 0.0000 | |
| 446 | S | C | 0.0000 | |
| 447 | V | C | 0.0000 | |
| 448 | M | C | 0.0000 | |
| 449 | H | C | 0.0000 | |
| 450 | E | C | -1.0668 | |
| 451 | A | C | -1.4848 | |
| 452 | L | C | -1.4360 | |
| 453 | H | C | -1.7528 | |
| 454 | N | C | -1.6345 | |
| 455 | H | C | -1.1281 | |
| 456 | Y | C | -0.4123 | |
| 457 | T | C | -0.6507 | |
| 458 | Q | C | -0.9780 | |
| 459 | K | C | -1.0570 | |
| 460 | S | C | -0.4744 | |
| 461 | L | C | 0.0000 | |
| 462 | S | C | -0.0962 | |
| 463 | L | C | -0.3345 | |
| 464 | S | C | -0.5881 | |
| 465 | P | C | -1.0770 | |
| 466 | G | C | -1.4277 | |
| 467 | K | C | -2.0248 | |
| 1 | M | D | 1.1092 | |
| 2 | G | D | 0.6559 | |
| 3 | W | D | 1.6258 | |
| 4 | S | D | 1.6212 | |
| 5 | C | D | 2.7197 | |
| 6 | I | D | 4.2173 | |
| 7 | I | D | 4.7643 | |
| 8 | L | D | 4.9443 | |
| 9 | F | D | 4.9520 | |
| 10 | L | D | 4.1440 | |
| 11 | V | D | 3.4107 | |
| 12 | A | D | 1.6937 | |
| 13 | T | D | 0.7070 | |
| 14 | A | D | 0.4307 | |
| 15 | T | D | 0.0599 | |
| 16 | G | D | 0.0317 | |
| 17 | V | D | 0.7730 | |
| 18 | H | D | -0.7142 | |
| 19 | S | D | -0.9230 | |
| 20 | Q | D | -1.4517 | |
| 21 | I | D | -0.8864 | |
| 22 | Q | D | -1.3336 | |
| 23 | L | D | 0.0000 | |
| 24 | V | D | -0.0929 | |
| 25 | Q | D | 0.0000 | |
| 26 | S | D | -0.6438 | |
| 27 | G | D | -0.6517 | |
| 28 | A | D | -0.2921 | |
| 29 | E | D | -0.4974 | |
| 30 | V | D | 0.0866 | |
| 31 | K | D | -1.2799 | |
| 32 | K | D | -2.3150 | |
| 33 | P | D | -2.2868 | |
| 34 | G | D | -1.6414 | |
| 35 | A | D | -1.2716 | |
| 36 | S | D | -1.3326 | |
| 37 | V | D | 0.0000 | |
| 38 | K | D | -1.7699 | |
| 39 | V | D | 0.0000 | |
| 40 | S | D | -0.6284 | |
| 41 | C | D | 0.0000 | |
| 42 | K | D | -1.1647 | |
| 43 | A | D | 0.0000 | |
| 44 | S | D | -0.8426 | |
| 45 | G | D | -0.9753 | |
| 46 | Y | D | -0.4752 | |
| 47 | T | D | -0.4525 | |
| 48 | F | D | 0.0000 | |
| 49 | T | D | -0.3376 | |
| 50 | K | D | -1.3551 | |
| 51 | Y | D | -0.5120 | |
| 52 | G | D | -0.4797 | |
| 53 | M | D | 0.0000 | |
| 54 | N | D | 0.0000 | |
| 55 | W | D | 0.0000 | |
| 56 | V | D | 0.0000 | |
| 57 | R | D | 0.0000 | |
| 58 | Q | D | -0.6589 | |
| 59 | A | D | -1.0241 | |
| 60 | P | D | -1.0032 | |
| 61 | G | D | -1.2098 | |
| 62 | Q | D | -1.8390 | |
| 63 | G | D | -1.3457 | |
| 64 | L | D | 0.0000 | |
| 65 | E | D | -1.0360 | |
| 66 | W | D | 0.0000 | |
| 67 | M | D | 0.0000 | |
| 68 | G | D | 0.0000 | |
| 69 | W | D | -0.0989 | |
| 70 | I | D | 0.0000 | |
| 71 | N | D | -0.7642 | |
| 72 | T | D | 0.0000 | |
| 73 | Y | D | 0.4888 | |
| 74 | T | D | -0.2440 | |
| 75 | G | D | -0.9222 | |
| 76 | E | D | -1.8511 | |
| 77 | P | D | -1.0193 | |
| 78 | T | D | -1.0341 | |
| 79 | Y | D | -1.1070 | |
| 80 | A | D | 0.0000 | |
| 81 | D | D | -3.5638 | |
| 82 | D | D | -3.2166 | |
| 83 | F | D | 0.0000 | |
| 84 | K | D | -3.1056 | |
| 85 | G | D | -1.9637 | |
| 86 | R | D | -1.5672 | |
| 87 | I | D | 0.0000 | |
| 88 | T | D | -0.8442 | |
| 89 | F | D | 0.0000 | |
| 90 | T | D | -0.5659 | |
| 91 | L | D | -0.2463 | |
| 92 | D | D | -0.8078 | |
| 93 | T | D | -0.4365 | |
| 94 | S | D | -0.4527 | |
| 95 | T | D | -0.5939 | |
| 96 | S | D | -0.6506 | |
| 97 | T | D | 0.0000 | |
| 98 | A | D | 0.0000 | |
| 99 | Y | D | -0.5246 | |
| 100 | M | D | 0.0000 | |
| 101 | E | D | -1.3994 | |
| 102 | L | D | 0.0000 | |
| 103 | S | D | -1.1388 | |
| 104 | S | D | -1.2720 | |
| 105 | L | D | 0.0000 | |
| 106 | R | D | -3.1092 | |
| 107 | S | D | -2.3956 | |
| 108 | E | D | -2.5778 | |
| 109 | D | D | 0.0000 | |
| 110 | T | D | -0.9582 | |
| 111 | A | D | 0.0000 | |
| 112 | V | D | 0.2450 | |
| 113 | Y | D | 0.0000 | |
| 114 | F | D | 0.0000 | |
| 115 | C | D | 0.0000 | |
| 116 | A | D | 0.0000 | |
| 117 | R | D | 0.0000 | |
| 118 | D | D | -0.3440 | |
| 119 | H | D | -0.3836 | |
| 120 | G | D | -0.0725 | |
| 121 | K | D | -0.4703 | |
| 122 | Y | D | -0.0774 | |
| 123 | A | D | 0.0000 | |
| 124 | M | D | 0.0000 | |
| 125 | D | D | 0.0000 | |
| 126 | Y | D | -0.0504 | |
| 127 | W | D | -0.2001 | |
| 128 | G | D | 0.0000 | |
| 129 | Q | D | -1.1094 | |
| 130 | G | D | -0.4640 | |
| 131 | T | D | 0.0000 | |
| 132 | T | D | -0.1588 | |
| 133 | V | D | 0.0000 | |
| 134 | T | D | 0.0000 | |
| 135 | V | D | 0.0000 | |
| 136 | S | D | -1.2853 | |
| 137 | S | D | -0.9313 | |
| 138 | A | D | -0.5650 | |
| 139 | S | D | -0.6211 | |
| 140 | T | D | -0.5908 | |
| 141 | K | D | -1.1792 | |
| 142 | G | D | -1.3158 | |
| 143 | P | D | 0.0000 | |
| 144 | S | D | -0.3857 | |
| 145 | V | D | 0.0000 | |
| 146 | F | D | 0.0000 | |
| 147 | P | D | -1.2201 | |
| 148 | L | D | 0.0000 | |
| 149 | A | D | -1.1929 | |
| 150 | P | D | 0.0000 | |
| 151 | S | D | -1.0016 | |
| 152 | S | D | -1.0747 | |
| 153 | K | D | -0.9737 | |
| 154 | S | D | 0.0000 | |
| 155 | T | D | -0.5447 | |
| 156 | S | D | -0.6256 | |
| 157 | G | D | -0.7950 | |
| 158 | G | D | -0.8641 | |
| 159 | T | D | -0.5997 | |
| 160 | A | D | 0.0000 | |
| 161 | A | D | 0.0000 | |
| 162 | L | D | 0.0000 | |
| 163 | G | D | 0.0000 | |
| 164 | C | D | 0.0000 | |
| 165 | L | D | 0.0000 | |
| 166 | V | D | 0.0000 | |
| 167 | K | D | 0.0000 | |
| 168 | D | D | -0.3674 | |
| 169 | Y | D | 0.0000 | |
| 170 | F | D | 0.0000 | |
| 171 | P | D | 0.0000 | |
| 172 | E | D | -0.7881 | |
| 173 | P | D | -0.9877 | |
| 174 | V | D | -0.7774 | |
| 175 | T | D | -0.5840 | |
| 176 | V | D | -0.0832 | |
| 177 | S | D | -0.3181 | |
| 178 | W | D | 0.0000 | |
| 179 | N | D | -0.6719 | |
| 180 | S | D | -0.5904 | |
| 181 | G | D | -0.4436 | |
| 182 | A | D | -0.2162 | |
| 183 | L | D | 0.0221 | |
| 184 | T | D | -0.1596 | |
| 185 | S | D | -0.1800 | |
| 186 | G | D | -0.2070 | |
| 187 | V | D | 0.1620 | |
| 188 | H | D | -0.2984 | |
| 189 | T | D | 0.0163 | |
| 190 | F | D | 0.0000 | |
| 191 | P | D | -0.2954 | |
| 192 | A | D | 0.1426 | |
| 193 | V | D | 0.4828 | |
| 194 | L | D | 1.0808 | |
| 195 | Q | D | 0.2807 | |
| 196 | S | D | -0.1538 | |
| 197 | S | D | -0.1971 | |
| 198 | G | D | 0.0423 | |
| 199 | L | D | 0.0371 | |
| 200 | Y | D | 0.3009 | |
| 201 | S | D | 0.0000 | |
| 202 | L | D | 0.0000 | |
| 203 | S | D | 0.0000 | |
| 204 | S | D | 0.0000 | |
| 205 | V | D | 0.0000 | |
| 206 | V | D | 0.0000 | |
| 207 | T | D | -0.1245 | |
| 208 | V | D | 0.0000 | |
| 209 | P | D | -0.6043 | |
| 210 | S | D | -0.5522 | |
| 211 | S | D | -0.5747 | |
| 212 | S | D | 0.0000 | |
| 213 | L | D | -0.7569 | |
| 214 | G | D | -0.9446 | |
| 215 | T | D | -0.6868 | |
| 216 | Q | D | -1.1574 | |
| 217 | T | D | -1.0240 | |
| 218 | Y | D | 0.0000 | |
| 219 | I | D | -0.9632 | |
| 220 | C | D | 0.0000 | |
| 221 | N | D | -1.2478 | |
| 222 | V | D | 0.0000 | |
| 223 | N | D | -1.8066 | |
| 224 | H | D | 0.0000 | |
| 225 | K | D | -2.7634 | |
| 226 | P | D | -1.6981 | |
| 227 | S | D | -1.7957 | |
| 228 | N | D | -2.5692 | |
| 229 | T | D | -2.0307 | |
| 230 | K | D | -2.5595 | |
| 231 | V | D | -1.3001 | |
| 232 | D | D | -1.9438 | |
| 233 | K | D | -1.7636 | |
| 234 | K | D | -2.0602 | |
| 235 | V | D | 0.0000 | |
| 236 | E | D | -2.6914 | |
| 237 | P | D | -1.6161 | |
| 238 | K | D | -1.9974 | |
| 239 | S | D | -1.0731 | |
| 240 | C | D | -0.2322 | |
| 241 | D | D | -1.4933 | |
| 242 | K | D | -2.2437 | |
| 243 | T | D | -1.3775 | |
| 244 | H | D | -1.5173 | |
| 245 | T | D | -0.7686 | |
| 246 | C | D | -0.0695 | |
| 247 | P | D | -0.3160 | |
| 248 | P | D | -0.1768 | |
| 249 | C | D | 0.2616 | |
| 250 | P | D | -0.4112 | |
| 251 | A | D | -0.6088 | |
| 252 | P | D | -1.1040 | |
| 253 | E | D | -2.0473 | |
| 254 | A | D | -1.0223 | |
| 255 | A | D | -0.6247 | |
| 256 | G | D | -0.9426 | |
| 257 | G | D | -0.9935 | |
| 258 | P | D | 0.0000 | |
| 259 | S | D | -0.1748 | |
| 260 | V | D | 0.0000 | |
| 261 | F | D | 1.2357 | |
| 262 | L | D | 0.9579 | |
| 263 | F | D | 1.1101 | |
| 264 | P | D | -0.1270 | |
| 265 | P | D | 0.0000 | |
| 266 | K | D | -2.1413 | |
| 267 | P | D | -1.4118 | |
| 268 | K | D | -1.3333 | |
| 269 | D | D | -1.5901 | |
| 270 | T | D | 0.0000 | |
| 271 | L | D | 0.0000 | |
| 272 | Y | D | 0.2460 | |
| 273 | I | D | 1.3181 | |
| 274 | T | D | 0.0489 | |
| 275 | R | D | -1.5130 | |
| 276 | E | D | -2.3138 | |
| 277 | P | D | 0.0000 | |
| 278 | E | D | -1.7829 | |
| 279 | V | D | 0.0000 | |
| 280 | T | D | 0.1355 | |
| 281 | C | D | 0.0000 | |
| 282 | V | D | 0.0000 | |
| 283 | V | D | 0.0000 | |
| 284 | V | D | -1.1021 | |
| 285 | D | D | -1.6933 | |
| 286 | V | D | 0.0000 | |
| 287 | S | D | -1.9512 | |
| 288 | H | D | -2.0959 | |
| 289 | E | D | -2.7132 | |
| 290 | D | D | -2.4415 | |
| 291 | P | D | -2.6265 | |
| 292 | E | D | -3.0746 | |
| 293 | V | D | -2.0949 | |
| 294 | K | D | -2.2483 | |
| 295 | F | D | -1.3132 | |
| 296 | N | D | -1.0992 | |
| 297 | W | D | 0.0000 | |
| 298 | Y | D | -0.7093 | |
| 299 | V | D | -1.0075 | |
| 300 | D | D | -2.3020 | |
| 301 | G | D | -0.9789 | |
| 302 | V | D | 0.5127 | |
| 303 | E | D | -0.7025 | |
| 304 | V | D | -0.6032 | |
| 305 | H | D | -1.8905 | |
| 306 | N | D | -2.1783 | |
| 307 | A | D | -1.8886 | |
| 308 | K | D | -2.3428 | |
| 309 | T | D | -1.8197 | |
| 310 | K | D | -2.1174 | |
| 311 | P | D | -2.4333 | |
| 312 | R | D | -3.8575 | |
| 313 | E | D | -3.8203 | |
| 314 | E | D | -3.4391 | |
| 315 | Q | D | -1.7494 | |
| 316 | Y | D | 0.1341 | |
| 317 | N | D | -0.8478 | |
| 318 | S | D | -0.9186 | |
| 319 | T | D | -1.9929 | |
| 320 | Y | D | -2.7306 | |
| 321 | R | D | -2.7391 | |
| 322 | V | D | 0.0000 | |
| 323 | V | D | -0.9724 | |
| 324 | S | D | 0.0000 | |
| 325 | V | D | 0.0000 | |
| 326 | L | D | 0.0000 | |
| 327 | T | D | -1.2336 | |
| 328 | V | D | 0.0000 | |
| 329 | L | D | 0.1587 | |
| 330 | H | D | 0.0000 | |
| 331 | Q | D | -1.0225 | |
| 332 | D | D | -1.4235 | |
| 333 | W | D | 0.0000 | |
| 334 | L | D | -1.0682 | |
| 335 | N | D | -2.0642 | |
| 336 | G | D | -2.1116 | |
| 337 | K | D | -2.4868 | |
| 338 | E | D | -2.4639 | |
| 339 | Y | D | 0.0000 | |
| 340 | K | D | -1.5373 | |
| 341 | C | D | 0.0000 | |
| 342 | K | D | -1.3095 | |
| 343 | V | D | 0.0000 | |
| 344 | S | D | -1.4265 | |
| 345 | N | D | 0.0000 | |
| 346 | K | D | -2.5656 | |
| 347 | A | D | -1.4647 | |
| 348 | L | D | -0.8602 | |
| 349 | P | D | -0.8186 | |
| 350 | A | D | -0.3970 | |
| 351 | P | D | -0.8805 | |
| 352 | I | D | -0.3964 | |
| 353 | E | D | -1.4522 | |
| 354 | K | D | -0.9185 | |
| 355 | T | D | -0.9628 | |
| 356 | I | D | -0.2691 | |
| 357 | S | D | -1.2230 | |
| 358 | K | D | 0.0000 | |
| 359 | A | D | -1.2503 | |
| 360 | K | D | -2.3327 | |
| 361 | G | D | -1.8706 | |
| 362 | Q | D | -2.0844 | |
| 363 | P | D | -1.7102 | |
| 364 | R | D | -2.0395 | |
| 365 | E | D | -2.6242 | |
| 366 | P | D | 0.0000 | |
| 367 | Q | D | -1.3912 | |
| 368 | V | D | 0.0000 | |
| 369 | Y | D | 0.0000 | |
| 370 | T | D | -0.7869 | |
| 371 | L | D | 0.0000 | |
| 372 | P | D | -0.4144 | |
| 373 | P | D | -0.8946 | |
| 374 | S | D | -1.5394 | |
| 375 | R | D | -2.6807 | |
| 376 | D | D | -2.8475 | |
| 377 | E | D | 0.0000 | |
| 378 | L | D | -1.9058 | |
| 379 | T | D | -1.6651 | |
| 380 | K | D | -2.2483 | |
| 381 | N | D | -2.5322 | |
| 382 | Q | D | -2.3255 | |
| 383 | V | D | 0.0000 | |
| 384 | S | D | 0.0000 | |
| 385 | L | D | 0.0000 | |
| 386 | T | D | 0.0000 | |
| 387 | C | D | 0.0000 | |
| 388 | L | D | 0.0000 | |
| 389 | V | D | 0.0000 | |
| 390 | K | D | -0.5369 | |
| 391 | G | D | -1.0339 | |
| 392 | F | D | 0.0000 | |
| 393 | Y | D | -1.0656 | |
| 394 | P | D | 0.0000 | |
| 395 | S | D | -0.3055 | |
| 396 | D | D | -1.3407 | |
| 397 | I | D | -0.6978 | |
| 398 | A | D | -0.6212 | |
| 399 | V | D | 0.0000 | |
| 400 | E | D | -1.2378 | |
| 401 | W | D | 0.0000 | |
| 402 | E | D | -1.7492 | |
| 403 | S | D | 0.0000 | |
| 404 | N | D | -1.8407 | |
| 405 | G | D | -1.7531 | |
| 406 | Q | D | -2.2866 | |
| 407 | P | D | -1.9527 | |
| 408 | E | D | -1.8383 | |
| 409 | N | D | -2.0171 | |
| 410 | N | D | -1.3164 | |
| 411 | Y | D | -0.8860 | |
| 412 | K | D | -0.6720 | |
| 413 | T | D | -0.3760 | |
| 414 | T | D | 0.0000 | |
| 415 | P | D | -0.0407 | |
| 416 | P | D | 0.1523 | |
| 417 | V | D | 0.6914 | |
| 418 | L | D | 1.0459 | |
| 419 | D | D | -0.2967 | |
| 420 | S | D | -1.0176 | |
| 421 | D | D | -1.8147 | |
| 422 | G | D | -0.7263 | |
| 423 | S | D | 0.0000 | |
| 424 | F | D | 0.2272 | |
| 425 | F | D | 0.0000 | |
| 426 | L | D | 0.0000 | |
| 427 | Y | D | 0.0000 | |
| 428 | S | D | 0.0000 | |
| 429 | K | D | 0.0000 | |
| 430 | L | D | 0.0000 | |
| 431 | T | D | -0.8490 | |
| 432 | V | D | 0.0000 | |
| 433 | D | D | -2.4437 | |
| 434 | K | D | -2.6833 | |
| 435 | S | D | -2.2459 | |
| 436 | R | D | -1.9729 | |
| 437 | W | D | 0.0000 | |
| 438 | Q | D | -2.3899 | |
| 439 | Q | D | -2.1219 | |
| 440 | G | D | -1.1872 | |
| 441 | N | D | -0.8181 | |
| 442 | V | D | 0.2518 | |
| 443 | F | D | 0.0000 | |
| 444 | S | D | 0.0000 | |
| 445 | C | D | 0.0000 | |
| 446 | S | D | 0.0000 | |
| 447 | V | D | 0.0000 | |
| 448 | M | D | 0.0000 | |
| 449 | H | D | 0.0000 | |
| 450 | E | D | -1.0792 | |
| 451 | A | D | -1.4929 | |
| 452 | L | D | -1.4337 | |
| 453 | H | D | -1.7463 | |
| 454 | N | D | -1.6164 | |
| 455 | H | D | -1.0976 | |
| 456 | Y | D | -0.3529 | |
| 457 | T | D | -0.6161 | |
| 458 | Q | D | -0.9504 | |
| 459 | K | D | -1.0058 | |
| 460 | S | D | -0.4567 | |
| 461 | L | D | 0.0000 | |
| 462 | S | D | -0.1184 | |
| 463 | L | D | -0.3540 | |
| 464 | S | D | -0.6075 | |
| 465 | P | D | -1.0880 | |
| 466 | G | D | -1.4338 | |
| 467 | K | D | -2.0286 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.514 | 7.9905 | View | CSV | PDB |
| 4.5 | -0.5624 | 7.9905 | View | CSV | PDB |
| 5.0 | -0.6201 | 7.9905 | View | CSV | PDB |
| 5.5 | -0.6746 | 7.9905 | View | CSV | PDB |
| 6.0 | -0.7124 | 7.9905 | View | CSV | PDB |
| 6.5 | -0.7245 | 7.9905 | View | CSV | PDB |
| 7.0 | -0.7119 | 7.9905 | View | CSV | PDB |
| 7.5 | -0.6834 | 7.9905 | View | CSV | PDB |
| 8.0 | -0.6464 | 7.9905 | View | CSV | PDB |
| 8.5 | -0.6039 | 7.9905 | View | CSV | PDB |
| 9.0 | -0.5559 | 7.9905 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine