| Chain sequence(s) |
A: MGCSSPPCECHQEEDFRVTCKDIQRIPSLPPSTQTLKLIETHLRTIPSHAFSNLPNISRIYVSIDVTLQQLESHSFYNLSKVTHIEIRNTPNLTYIDPDALKELPLLKFLGIFNTGLKMFPPLTKVYSTDIFFILEITDNPYMTSIPRNAFQGLCNETLTLKLYNNGFTSVQGYAFNGTKLDAVYLNKNKYLTVIDKDAFGGVISGPSLLDVSQTSVTALPSKGLEHLKELIARNTWTLGGGGAGGGGSEVQLQESGPGLVRPSQTLSLTCTVSGYSITSDHAWSWVRQPPGRGLEWIGYISYSGITTYNPSLKSRVTMLRDTSKNQFSLRLSSVTAADTAVYYCARSLARTTAMDYWGQGSLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGDSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPCRDELTKNQVSLWCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
C: DIQMTQSPSSLSASVGDRVTITCRASQDISSYLNWYQQKPGKAPKLLIYYTSRLHSGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQGNTLPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC B: EVQLQESGPGLVRPSQTLSLTCTVSGYSITSDHAWSWVRQPPGRGLEWIGYISYSGITTYNPSLKSRVTMLRDTSKNQFSLRLSSVTAADTAVYYCARSLARTTAMDYWGQGSLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPCPAPELLGGDSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVCTLPPSRDELTKNQVSLSCAVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLVSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK D: DIQMTQSPSSLSASVGDRVTITCRASQDISSYLNWYQQKPGKAPKLLIYYTSRLHSGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQGNTLPYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC input PDB |
| Selected Chain(s) | A,B,C,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| 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] FoldX: Starting FoldX energy minimalization (00:00:08)
[INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:21:48)
[INFO] Main: Simulation completed successfully. (00:22:14)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 1 | M | A | 0.3192 | |
| 2 | G | A | -0.5913 | |
| 3 | C | A | -0.5894 | |
| 4 | S | A | -0.4910 | |
| 5 | S | A | -0.7219 | |
| 6 | P | A | -0.8701 | |
| 7 | P | A | -1.2896 | |
| 8 | C | A | -1.5700 | |
| 9 | E | A | -2.3201 | |
| 10 | C | A | 0.0000 | |
| 11 | H | A | -1.9322 | |
| 12 | Q | A | -2.4900 | |
| 13 | E | A | -2.7677 | |
| 14 | E | A | -2.0942 | |
| 15 | D | A | -1.6495 | |
| 16 | F | A | -1.4459 | |
| 17 | R | A | -1.6030 | |
| 18 | V | A | 0.0000 | |
| 19 | T | A | -0.9146 | |
| 20 | C | A | 0.0000 | |
| 21 | K | A | -1.9639 | |
| 22 | D | A | -2.7663 | |
| 23 | I | A | 0.0000 | |
| 24 | Q | A | -3.1321 | |
| 25 | R | A | -3.0656 | |
| 26 | I | A | 0.0000 | |
| 27 | P | A | -0.9207 | |
| 28 | S | A | -0.6451 | |
| 29 | L | A | 0.0000 | |
| 30 | P | A | -0.5072 | |
| 31 | P | A | -0.8049 | |
| 32 | S | A | -0.7696 | |
| 33 | T | A | 0.0000 | |
| 34 | Q | A | -1.1992 | |
| 35 | T | A | 0.0000 | |
| 36 | L | A | 0.0000 | |
| 37 | K | A | -0.5764 | |
| 38 | L | A | 0.0000 | |
| 39 | I | A | 0.0000 | |
| 40 | E | A | -0.7106 | |
| 41 | T | A | 0.0000 | |
| 42 | H | A | -2.3221 | |
| 43 | L | A | 0.0000 | |
| 44 | R | A | -2.8269 | |
| 45 | T | A | -1.8818 | |
| 46 | I | A | 0.0000 | |
| 47 | P | A | -1.0247 | |
| 48 | S | A | -0.7035 | |
| 49 | H | A | -1.1150 | |
| 50 | A | A | -0.8043 | |
| 51 | F | A | 0.0000 | |
| 52 | S | A | -1.1141 | |
| 53 | N | A | -1.2530 | |
| 54 | L | A | 0.0000 | |
| 55 | P | A | -1.1297 | |
| 56 | N | A | -1.2404 | |
| 57 | I | A | 0.0000 | |
| 58 | S | A | 0.0000 | |
| 59 | R | A | -0.6069 | |
| 60 | I | A | 0.0000 | |
| 61 | Y | A | -0.0337 | |
| 62 | V | A | 0.0000 | |
| 63 | S | A | -0.0486 | |
| 64 | I | A | 0.1890 | |
| 65 | D | A | 0.0000 | |
| 66 | V | A | -0.1296 | |
| 67 | T | A | -1.2264 | |
| 68 | L | A | 0.0000 | |
| 69 | Q | A | -1.7979 | |
| 70 | Q | A | -1.3656 | |
| 71 | L | A | 0.0000 | |
| 72 | E | A | -1.0072 | |
| 73 | S | A | -0.8361 | |
| 74 | H | A | -1.0307 | |
| 75 | S | A | 0.0000 | |
| 76 | F | A | 0.0000 | |
| 77 | Y | A | -1.0278 | |
| 78 | N | A | -1.7909 | |
| 79 | L | A | 0.0000 | |
| 80 | S | A | -1.2971 | |
| 81 | K | A | -1.6989 | |
| 82 | V | A | 0.0000 | |
| 83 | T | A | 0.0000 | |
| 84 | H | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | E | A | 0.0000 | |
| 87 | I | A | 0.0000 | |
| 88 | R | A | -0.2775 | |
| 89 | N | A | -0.2500 | |
| 90 | T | A | 0.0000 | |
| 91 | P | A | 0.0000 | |
| 92 | N | A | -0.9957 | |
| 93 | L | A | 0.0000 | |
| 94 | T | A | -0.6799 | |
| 95 | Y | A | -0.3572 | |
| 96 | I | A | 0.0000 | |
| 97 | D | A | -0.6272 | |
| 98 | P | A | -0.6161 | |
| 99 | D | A | -0.8615 | |
| 100 | A | A | 0.0000 | |
| 101 | L | A | 0.0000 | |
| 102 | K | A | -0.9211 | |
| 103 | E | A | -0.8791 | |
| 104 | L | A | 0.0000 | |
| 105 | P | A | -0.4468 | |
| 106 | L | A | 0.0032 | |
| 107 | L | A | 0.0000 | |
| 108 | K | A | 0.0000 | |
| 109 | F | A | 0.0000 | |
| 110 | L | A | 0.0000 | |
| 111 | G | A | 0.0000 | |
| 112 | I | A | 0.0000 | |
| 113 | F | A | 0.0000 | |
| 114 | N | A | 0.0000 | |
| 115 | T | A | 0.0000 | |
| 116 | G | A | 0.0000 | |
| 117 | L | A | 0.0000 | |
| 118 | K | A | -1.3508 | |
| 119 | M | A | -0.3040 | |
| 120 | F | A | 0.0000 | |
| 121 | P | A | 0.0000 | |
| 122 | P | A | -0.3576 | |
| 123 | L | A | 0.0000 | |
| 124 | T | A | -0.5331 | |
| 125 | K | A | -0.4650 | |
| 126 | V | A | 0.0000 | |
| 127 | Y | A | 0.4380 | |
| 128 | S | A | 0.0000 | |
| 129 | T | A | -0.1191 | |
| 130 | D | A | 0.0000 | |
| 131 | I | A | 0.2596 | |
| 132 | F | A | 0.1158 | |
| 133 | F | A | 0.0000 | |
| 134 | I | A | 0.0000 | |
| 135 | L | A | 0.0000 | |
| 136 | E | A | 0.0000 | |
| 137 | I | A | 0.0000 | |
| 138 | T | A | 0.0000 | |
| 139 | D | A | 0.0000 | |
| 140 | N | A | 0.0000 | |
| 141 | P | A | -0.2420 | |
| 142 | Y | A | -0.4500 | |
| 143 | M | A | 0.0000 | |
| 144 | T | A | -0.2075 | |
| 145 | S | A | -0.4220 | |
| 146 | I | A | 0.0000 | |
| 147 | P | A | -1.2733 | |
| 148 | R | A | -2.5742 | |
| 149 | N | A | -1.9875 | |
| 150 | A | A | 0.0000 | |
| 151 | F | A | 0.0000 | |
| 152 | Q | A | -1.3414 | |
| 153 | G | A | -0.6150 | |
| 154 | L | A | 0.0000 | |
| 155 | C | A | 0.0000 | |
| 156 | N | A | -1.1294 | |
| 157 | E | A | -0.5796 | |
| 158 | T | A | -0.2171 | |
| 159 | L | A | 0.0000 | |
| 160 | T | A | 0.0000 | |
| 161 | L | A | 0.0000 | |
| 162 | K | A | 0.0000 | |
| 163 | L | A | 0.0000 | |
| 164 | Y | A | -0.1211 | |
| 165 | N | A | 0.0000 | |
| 166 | N | A | 0.0000 | |
| 167 | G | A | 0.0000 | |
| 168 | F | A | 0.0000 | |
| 169 | T | A | 0.4418 | |
| 170 | S | A | 0.3660 | |
| 171 | V | A | 0.0000 | |
| 172 | Q | A | -1.5438 | |
| 173 | G | A | -1.7961 | |
| 174 | Y | A | -1.5979 | |
| 175 | A | A | 0.0000 | |
| 176 | F | A | 0.0000 | |
| 177 | N | A | -0.9680 | |
| 178 | G | A | -0.2972 | |
| 179 | T | A | 0.0000 | |
| 180 | K | A | -0.0860 | |
| 181 | L | A | 0.0000 | |
| 182 | D | A | 0.0000 | |
| 183 | A | A | 0.0000 | |
| 184 | V | A | 0.0000 | |
| 185 | Y | A | 0.0000 | |
| 186 | L | A | 0.0000 | |
| 187 | N | A | 0.0000 | |
| 188 | K | A | -0.9169 | |
| 189 | N | A | 0.0000 | |
| 190 | K | A | -0.5496 | |
| 191 | Y | A | 0.6032 | |
| 192 | L | A | 0.0000 | |
| 193 | T | A | 0.7581 | |
| 194 | V | A | 0.9675 | |
| 195 | I | A | 0.0000 | |
| 196 | D | A | -1.3276 | |
| 197 | K | A | -2.6425 | |
| 198 | D | A | -2.7895 | |
| 199 | A | A | 0.0000 | |
| 200 | F | A | 0.0000 | |
| 201 | G | A | -1.2082 | |
| 202 | G | A | -0.3361 | |
| 203 | V | A | 0.7369 | |
| 204 | I | A | 1.5637 | |
| 205 | S | A | 0.3506 | |
| 206 | G | A | -0.4275 | |
| 207 | P | A | 0.0000 | |
| 208 | S | A | -0.9393 | |
| 209 | L | A | 0.0000 | |
| 210 | L | A | 0.0000 | |
| 211 | D | A | 0.0000 | |
| 212 | V | A | 0.0000 | |
| 213 | S | A | -0.9098 | |
| 214 | Q | A | -0.8827 | |
| 215 | T | A | 0.0000 | |
| 216 | S | A | -0.0844 | |
| 217 | V | A | 0.3058 | |
| 218 | T | A | 0.2671 | |
| 219 | A | A | 0.0997 | |
| 220 | L | A | -0.2650 | |
| 221 | P | A | 0.0000 | |
| 222 | S | A | -1.7563 | |
| 223 | K | A | -2.8661 | |
| 224 | G | A | -1.7615 | |
| 225 | L | A | -1.6399 | |
| 226 | E | A | -2.9033 | |
| 227 | H | A | -2.4683 | |
| 228 | L | A | -1.4912 | |
| 229 | K | A | -2.0021 | |
| 230 | E | A | -0.5100 | |
| 231 | L | A | 0.5673 | |
| 232 | I | A | 0.4052 | |
| 233 | A | A | -0.4520 | |
| 234 | R | A | -1.5839 | |
| 235 | N | A | -1.0913 | |
| 236 | T | A | -0.6585 | |
| 237 | W | A | -0.2182 | |
| 238 | T | A | 0.0523 | |
| 239 | L | A | 0.1386 | |
| 240 | G | A | -0.3559 | |
| 241 | G | A | -0.6421 | |
| 242 | G | A | -0.7222 | |
| 243 | G | A | 0.0000 | |
| 244 | A | A | -0.4108 | |
| 245 | G | A | -0.7988 | |
| 246 | G | A | -0.8000 | |
| 247 | G | A | 0.0000 | |
| 248 | G | A | -0.8807 | |
| 249 | S | A | -1.1710 | |
| 250 | E | A | -1.5572 | |
| 251 | V | A | 0.0000 | |
| 252 | Q | A | -1.6450 | |
| 253 | L | A | 0.0000 | |
| 254 | Q | A | -1.8275 | |
| 255 | E | A | 0.0000 | |
| 256 | S | A | -0.7038 | |
| 257 | G | A | -0.5860 | |
| 258 | P | A | -0.5255 | |
| 259 | G | A | -0.5728 | |
| 260 | L | A | -0.4006 | |
| 261 | V | A | 0.0000 | |
| 262 | R | A | -2.2787 | |
| 263 | P | A | -1.4296 | |
| 264 | S | A | -1.2269 | |
| 265 | Q | A | -1.5738 | |
| 266 | T | A | -1.2614 | |
| 267 | L | A | 0.0000 | |
| 268 | S | A | -0.8967 | |
| 269 | L | A | 0.0000 | |
| 270 | T | A | -0.7622 | |
| 271 | C | A | 0.0000 | |
| 272 | T | A | -1.2656 | |
| 273 | V | A | 0.0000 | |
| 274 | S | A | -0.9961 | |
| 275 | G | A | -0.7760 | |
| 276 | Y | A | -0.5772 | |
| 277 | S | A | -0.6007 | |
| 278 | I | A | 0.0000 | |
| 279 | T | A | -0.2644 | |
| 280 | S | A | -0.2619 | |
| 281 | D | A | -0.3720 | |
| 282 | H | A | -0.2470 | |
| 283 | A | A | -0.0472 | |
| 284 | W | A | 0.0000 | |
| 285 | S | A | 0.0000 | |
| 286 | W | A | 0.0000 | |
| 287 | V | A | 0.0000 | |
| 288 | R | A | 0.0000 | |
| 289 | Q | A | -0.8175 | |
| 290 | P | A | 0.0000 | |
| 291 | P | A | -1.0045 | |
| 292 | G | A | -1.4967 | |
| 293 | R | A | -2.4671 | |
| 294 | G | A | -1.5449 | |
| 295 | L | A | 0.0000 | |
| 296 | E | A | -0.7222 | |
| 297 | W | A | 0.0000 | |
| 298 | I | A | 0.0000 | |
| 299 | G | A | 0.0000 | |
| 300 | Y | A | 0.0000 | |
| 301 | I | A | 0.0000 | |
| 302 | S | A | 0.0000 | |
| 303 | Y | A | -0.0125 | |
| 304 | S | A | -0.0372 | |
| 305 | G | A | -0.1042 | |
| 306 | I | A | 0.3407 | |
| 307 | T | A | 0.2457 | |
| 308 | T | A | 0.0000 | |
| 309 | Y | A | -0.4856 | |
| 310 | N | A | -0.8636 | |
| 311 | P | A | -1.1212 | |
| 312 | S | A | -1.0374 | |
| 313 | L | A | 0.0000 | |
| 314 | K | A | -1.7228 | |
| 315 | S | A | -1.1664 | |
| 316 | R | A | -1.2792 | |
| 317 | V | A | 0.0000 | |
| 318 | T | A | -0.7307 | |
| 319 | M | A | 0.0000 | |
| 320 | L | A | -0.2088 | |
| 321 | R | A | -1.0812 | |
| 322 | D | A | -1.4916 | |
| 323 | T | A | -1.1780 | |
| 324 | S | A | -1.4671 | |
| 325 | K | A | -2.2757 | |
| 326 | N | A | -1.5058 | |
| 327 | Q | A | -1.3868 | |
| 328 | F | A | 0.0000 | |
| 329 | S | A | -0.5799 | |
| 330 | L | A | 0.0000 | |
| 331 | R | A | -1.3955 | |
| 332 | L | A | 0.0000 | |
| 333 | S | A | -0.9750 | |
| 334 | S | A | -1.0567 | |
| 335 | V | A | 0.0000 | |
| 336 | T | A | -0.5462 | |
| 337 | A | A | -0.2646 | |
| 338 | A | A | 0.0279 | |
| 339 | D | A | 0.0000 | |
| 340 | T | A | 0.0780 | |
| 341 | A | A | 0.0000 | |
| 342 | V | A | 0.0599 | |
| 343 | Y | A | 0.0000 | |
| 344 | Y | A | 0.0000 | |
| 345 | C | A | 0.0000 | |
| 346 | A | A | 0.0000 | |
| 347 | R | A | 0.0000 | |
| 348 | S | A | 0.0000 | |
| 349 | L | A | 0.0355 | |
| 350 | A | A | -0.1992 | |
| 351 | R | A | -0.4292 | |
| 352 | T | A | 0.0000 | |
| 353 | T | A | 0.0000 | |
| 354 | A | A | 0.0000 | |
| 355 | M | A | 0.0000 | |
| 356 | D | A | -0.1371 | |
| 357 | Y | A | -0.1305 | |
| 358 | W | A | -0.7143 | |
| 359 | G | A | -1.3077 | |
| 360 | Q | A | -1.8397 | |
| 361 | G | A | -0.9493 | |
| 362 | S | A | -0.4657 | |
| 363 | L | A | 0.0343 | |
| 364 | V | A | 0.0000 | |
| 365 | T | A | 0.0000 | |
| 366 | V | A | 0.0000 | |
| 367 | S | A | -0.9224 | |
| 368 | S | A | -1.0935 | |
| 369 | A | A | -0.5539 | |
| 370 | S | A | -0.5900 | |
| 371 | T | A | -0.6446 | |
| 372 | K | A | -1.0331 | |
| 373 | G | A | -1.2668 | |
| 374 | P | A | 0.0000 | |
| 375 | S | A | -0.3919 | |
| 376 | V | A | 0.0000 | |
| 377 | F | A | 0.0000 | |
| 378 | P | A | -1.0784 | |
| 379 | L | A | 0.0000 | |
| 380 | A | A | -1.2085 | |
| 381 | P | A | 0.0000 | |
| 382 | S | A | -1.0914 | |
| 383 | S | A | -0.9125 | |
| 384 | K | A | -1.1958 | |
| 385 | S | A | 0.0000 | |
| 386 | T | A | -0.7338 | |
| 387 | S | A | -0.7344 | |
| 388 | G | A | -0.8068 | |
| 389 | G | A | -0.8726 | |
| 390 | T | A | -0.6505 | |
| 391 | A | A | 0.0000 | |
| 392 | A | A | 0.0000 | |
| 393 | L | A | 0.0000 | |
| 394 | G | A | 0.0000 | |
| 395 | C | A | 0.0000 | |
| 396 | L | A | 0.0000 | |
| 397 | V | A | 0.0000 | |
| 398 | K | A | 0.0000 | |
| 399 | D | A | -0.2407 | |
| 400 | Y | A | 0.0000 | |
| 401 | F | A | 0.0000 | |
| 402 | P | A | 0.0000 | |
| 403 | E | A | -0.4834 | |
| 404 | P | A | -0.6322 | |
| 405 | V | A | 0.0000 | |
| 406 | T | A | -0.5935 | |
| 407 | V | A | -0.2593 | |
| 408 | S | A | -0.3284 | |
| 409 | W | A | 0.0000 | |
| 410 | N | A | -0.6701 | |
| 411 | S | A | -0.6050 | |
| 412 | G | A | -0.4148 | |
| 413 | A | A | -0.2493 | |
| 414 | L | A | -0.0165 | |
| 415 | T | A | -0.1663 | |
| 416 | S | A | -0.2162 | |
| 417 | G | A | -0.1740 | |
| 418 | V | A | 0.1471 | |
| 419 | H | A | -0.2740 | |
| 420 | T | A | 0.0402 | |
| 421 | F | A | 0.0000 | |
| 422 | P | A | -0.3033 | |
| 423 | A | A | 0.2811 | |
| 424 | V | A | 0.5281 | |
| 425 | L | A | 1.2329 | |
| 426 | Q | A | 0.3406 | |
| 427 | S | A | -0.1217 | |
| 428 | S | A | -0.1648 | |
| 429 | G | A | 0.1299 | |
| 430 | L | A | 0.2219 | |
| 431 | Y | A | 0.5526 | |
| 432 | S | A | 0.0000 | |
| 433 | L | A | 0.0000 | |
| 434 | S | A | 0.0000 | |
| 435 | S | A | 0.0000 | |
| 436 | V | A | 0.0000 | |
| 437 | V | A | 0.0000 | |
| 438 | T | A | -0.1740 | |
| 439 | V | A | 0.0000 | |
| 440 | P | A | -0.6291 | |
| 441 | S | A | -0.6762 | |
| 442 | S | A | -0.6577 | |
| 443 | S | A | -0.8228 | |
| 444 | L | A | -0.8532 | |
| 445 | G | A | -0.9791 | |
| 446 | T | A | -0.9853 | |
| 447 | Q | A | -1.1461 | |
| 448 | T | A | -1.0143 | |
| 449 | Y | A | 0.0000 | |
| 450 | I | A | -1.1372 | |
| 451 | C | A | 0.0000 | |
| 452 | N | A | -1.3503 | |
| 453 | V | A | 0.0000 | |
| 454 | N | A | -1.8726 | |
| 455 | H | A | 0.0000 | |
| 456 | K | A | -2.6978 | |
| 457 | P | A | -1.5390 | |
| 458 | S | A | -1.7844 | |
| 459 | N | A | -2.5165 | |
| 460 | T | A | -2.0519 | |
| 461 | K | A | -2.5866 | |
| 462 | V | A | -1.3925 | |
| 463 | D | A | -2.1346 | |
| 464 | K | A | -1.8461 | |
| 465 | K | A | -2.1347 | |
| 466 | V | A | 0.0000 | |
| 467 | E | A | -2.7926 | |
| 468 | P | A | -1.8700 | |
| 469 | K | A | -2.4838 | |
| 470 | S | A | -1.9623 | |
| 471 | C | A | -1.7151 | |
| 472 | D | A | -2.8536 | |
| 473 | K | A | -2.7392 | |
| 474 | T | A | -1.8233 | |
| 475 | H | A | -2.1198 | |
| 476 | T | A | -1.0152 | |
| 477 | C | A | 0.1114 | |
| 478 | P | A | -0.0854 | |
| 479 | P | A | -0.0102 | |
| 480 | C | A | 0.4464 | |
| 481 | P | A | -0.6572 | |
| 482 | A | A | -0.5273 | |
| 483 | P | A | -0.9680 | |
| 484 | E | A | -1.5470 | |
| 485 | L | A | -0.1013 | |
| 486 | L | A | 0.8905 | |
| 487 | G | A | 0.3569 | |
| 488 | G | A | -0.2701 | |
| 489 | D | A | 0.0000 | |
| 490 | S | A | -0.0505 | |
| 491 | V | A | 0.0000 | |
| 492 | F | A | 1.7237 | |
| 493 | L | A | 1.2037 | |
| 494 | F | A | 1.3019 | |
| 495 | P | A | -0.1918 | |
| 496 | P | A | 0.0000 | |
| 497 | K | A | -2.2989 | |
| 498 | P | A | -1.6521 | |
| 499 | K | A | -1.5887 | |
| 500 | D | A | 0.0000 | |
| 501 | T | A | 0.0000 | |
| 502 | L | A | 0.0000 | |
| 503 | M | A | 0.0724 | |
| 504 | I | A | 1.2934 | |
| 505 | S | A | -0.0941 | |
| 506 | R | A | -1.6588 | |
| 507 | T | A | -0.8382 | |
| 508 | P | A | 0.0000 | |
| 509 | E | A | -0.6687 | |
| 510 | V | A | 0.0000 | |
| 511 | T | A | 0.3889 | |
| 512 | C | A | 0.0000 | |
| 513 | V | A | 0.0000 | |
| 514 | V | A | 0.0000 | |
| 515 | V | A | -0.6792 | |
| 516 | D | A | -1.0951 | |
| 517 | V | A | 0.0000 | |
| 518 | S | A | -2.1227 | |
| 519 | H | A | -2.3819 | |
| 520 | E | A | -2.8855 | |
| 521 | D | A | -2.6118 | |
| 522 | P | A | -2.8319 | |
| 523 | E | A | -3.1336 | |
| 524 | V | A | -2.0917 | |
| 525 | K | A | -2.3289 | |
| 526 | F | A | -1.4622 | |
| 527 | N | A | -1.1232 | |
| 528 | W | A | 0.0000 | |
| 529 | Y | A | -0.5898 | |
| 530 | V | A | -0.9834 | |
| 531 | D | A | -2.0919 | |
| 532 | G | A | -0.8520 | |
| 533 | V | A | 0.6193 | |
| 534 | E | A | -0.3316 | |
| 535 | V | A | -0.6064 | |
| 536 | H | A | -1.6308 | |
| 537 | N | A | -2.0870 | |
| 538 | A | A | -1.7141 | |
| 539 | K | A | -2.2845 | |
| 540 | T | A | -1.8110 | |
| 541 | K | A | -2.3686 | |
| 542 | P | A | -2.1614 | |
| 543 | R | A | -3.3196 | |
| 544 | E | A | -3.4524 | |
| 545 | E | A | -3.1639 | |
| 546 | Q | A | -1.4566 | |
| 547 | Y | A | 0.4109 | |
| 548 | N | A | -0.3610 | |
| 549 | S | A | -1.0582 | |
| 550 | T | A | -1.7340 | |
| 551 | Y | A | -2.4234 | |
| 552 | R | A | -2.3095 | |
| 553 | V | A | 0.0000 | |
| 554 | V | A | 0.0000 | |
| 555 | S | A | 0.0000 | |
| 556 | V | A | 0.0000 | |
| 557 | L | A | 0.0000 | |
| 558 | T | A | -0.4402 | |
| 559 | V | A | 0.0000 | |
| 560 | L | A | 0.6320 | |
| 561 | H | A | -0.1761 | |
| 562 | Q | A | -1.1110 | |
| 563 | D | A | -1.3866 | |
| 564 | W | A | 0.0000 | |
| 565 | L | A | -1.1468 | |
| 566 | N | A | -2.1145 | |
| 567 | G | A | -2.1640 | |
| 568 | K | A | -2.3664 | |
| 569 | E | A | -2.5202 | |
| 570 | Y | A | 0.0000 | |
| 571 | K | A | -1.6193 | |
| 572 | C | A | 0.0000 | |
| 573 | K | A | -1.6001 | |
| 574 | V | A | 0.0000 | |
| 575 | S | A | -1.5520 | |
| 576 | N | A | 0.0000 | |
| 577 | K | A | -2.6102 | |
| 578 | A | A | -1.5782 | |
| 579 | L | A | 0.0000 | |
| 580 | P | A | -0.5391 | |
| 581 | A | A | -0.5405 | |
| 582 | P | A | -1.0641 | |
| 583 | I | A | -1.1329 | |
| 584 | E | A | -2.0561 | |
| 585 | K | A | -1.2612 | |
| 586 | T | A | -1.0691 | |
| 587 | I | A | -0.1265 | |
| 588 | S | A | -1.2588 | |
| 589 | K | A | 0.0000 | |
| 590 | A | A | -1.1232 | |
| 591 | K | A | -2.2956 | |
| 592 | G | A | -2.0401 | |
| 593 | Q | A | -2.2552 | |
| 594 | P | A | -1.9934 | |
| 595 | R | A | -2.5108 | |
| 596 | E | A | -2.8160 | |
| 597 | P | A | 0.0000 | |
| 598 | Q | A | -1.1899 | |
| 599 | V | A | 0.0000 | |
| 600 | Y | A | 0.0000 | |
| 601 | T | A | 0.0000 | |
| 602 | L | A | 0.0000 | |
| 603 | P | A | -0.2769 | |
| 604 | P | A | 0.0000 | |
| 605 | C | A | -1.1286 | |
| 606 | R | A | -2.2607 | |
| 607 | D | A | -2.1812 | |
| 608 | E | A | 0.0000 | |
| 609 | L | A | -1.7031 | |
| 610 | T | A | -1.5971 | |
| 611 | K | A | -2.4071 | |
| 612 | N | A | -2.6233 | |
| 613 | Q | A | -2.3556 | |
| 614 | V | A | 0.0000 | |
| 615 | S | A | 0.0000 | |
| 616 | L | A | 0.0000 | |
| 617 | W | A | 0.0000 | |
| 618 | C | A | 0.0000 | |
| 619 | L | A | 0.0000 | |
| 620 | V | A | 0.0000 | |
| 621 | K | A | -0.5983 | |
| 622 | G | A | -1.1448 | |
| 623 | F | A | 0.0000 | |
| 624 | Y | A | -1.3295 | |
| 625 | P | A | 0.0000 | |
| 626 | S | A | -0.4053 | |
| 627 | D | A | -1.4088 | |
| 628 | I | A | 0.0000 | |
| 629 | A | A | -0.8254 | |
| 630 | V | A | 0.0000 | |
| 631 | E | A | -1.0952 | |
| 632 | W | A | 0.0000 | |
| 633 | E | A | -1.6446 | |
| 634 | S | A | 0.0000 | |
| 635 | N | A | -1.9318 | |
| 636 | G | A | -1.8049 | |
| 637 | Q | A | -2.2670 | |
| 638 | P | A | -1.8881 | |
| 639 | E | A | -1.7404 | |
| 640 | N | A | -1.9278 | |
| 641 | N | A | -1.3534 | |
| 642 | Y | A | -0.9358 | |
| 643 | K | A | -0.7428 | |
| 644 | T | A | -0.2855 | |
| 645 | T | A | 0.0000 | |
| 646 | P | A | -0.2594 | |
| 647 | P | A | -0.0234 | |
| 648 | V | A | 0.0000 | |
| 649 | L | A | 0.5435 | |
| 650 | D | A | 0.0000 | |
| 651 | S | A | -1.1858 | |
| 652 | D | A | -1.8375 | |
| 653 | G | A | -0.7171 | |
| 654 | S | A | 0.0000 | |
| 655 | F | A | -0.0989 | |
| 656 | F | A | 0.0000 | |
| 657 | L | A | 0.0000 | |
| 658 | Y | A | 0.0000 | |
| 659 | S | A | 0.0000 | |
| 660 | K | A | 0.0000 | |
| 661 | L | A | 0.0000 | |
| 662 | T | A | -0.8406 | |
| 663 | V | A | 0.0000 | |
| 664 | D | A | -2.4854 | |
| 665 | K | A | -2.7997 | |
| 666 | S | A | -2.2138 | |
| 667 | R | A | -1.9988 | |
| 668 | W | A | 0.0000 | |
| 669 | Q | A | -2.3661 | |
| 670 | Q | A | -2.1959 | |
| 671 | G | A | -1.3515 | |
| 672 | N | A | -1.0090 | |
| 673 | V | A | -0.2250 | |
| 674 | F | A | 0.0000 | |
| 675 | S | A | 0.0000 | |
| 676 | C | A | 0.0000 | |
| 677 | S | A | 0.0000 | |
| 678 | V | A | 0.0000 | |
| 679 | M | A | 0.0000 | |
| 680 | H | A | 0.0000 | |
| 681 | E | A | -1.2436 | |
| 682 | A | A | -1.6059 | |
| 683 | L | A | -1.4077 | |
| 684 | H | A | -1.7215 | |
| 685 | N | A | -1.6499 | |
| 686 | H | A | -0.9958 | |
| 687 | Y | A | -0.3022 | |
| 688 | T | A | -0.5793 | |
| 689 | Q | A | -0.9072 | |
| 690 | K | A | -1.0479 | |
| 691 | S | A | -0.5413 | |
| 692 | L | A | 0.0000 | |
| 693 | S | A | -0.3449 | |
| 694 | L | A | -0.4752 | |
| 695 | S | A | -0.6243 | |
| 696 | P | A | -0.7908 | |
| 697 | G | A | -0.5912 | |
| 1 | E | B | -1.7666 | |
| 2 | V | B | 0.0000 | |
| 3 | Q | B | 0.0000 | |
| 4 | L | B | 0.0000 | |
| 5 | Q | B | -0.7114 | |
| 6 | E | B | 0.0000 | |
| 7 | S | B | -0.5471 | |
| 8 | G | B | -0.5839 | |
| 9 | P | B | -0.7141 | |
| 10 | G | B | -0.5134 | |
| 11 | L | B | -0.5763 | |
| 12 | V | B | 0.0000 | |
| 13 | R | B | -2.3340 | |
| 14 | P | B | -1.4796 | |
| 15 | S | B | -1.3645 | |
| 16 | Q | B | -1.8655 | |
| 17 | T | B | -1.4161 | |
| 18 | L | B | 0.0000 | |
| 19 | S | B | -0.9131 | |
| 20 | L | B | 0.0000 | |
| 21 | T | B | -0.5137 | |
| 22 | C | B | 0.0000 | |
| 23 | T | B | -0.6112 | |
| 24 | V | B | 0.0000 | |
| 25 | S | B | -0.7902 | |
| 26 | G | B | -0.9496 | |
| 27 | Y | B | -0.3414 | |
| 28 | S | B | -0.4082 | |
| 29 | I | B | 0.0000 | |
| 30 | T | B | -0.3363 | |
| 31 | S | B | -0.3908 | |
| 32 | D | B | -0.4852 | |
| 33 | H | B | -0.3948 | |
| 34 | A | B | 0.0000 | |
| 35 | W | B | 0.0000 | |
| 36 | S | B | 0.0000 | |
| 37 | W | B | 0.0000 | |
| 38 | V | B | 0.0000 | |
| 39 | R | B | 0.0000 | |
| 40 | Q | B | 0.0000 | |
| 41 | P | B | 0.0000 | |
| 42 | P | B | -0.9712 | |
| 43 | G | B | -1.4765 | |
| 44 | R | B | -2.4375 | |
| 45 | G | B | -1.5281 | |
| 46 | L | B | 0.0000 | |
| 47 | E | B | -0.7727 | |
| 48 | W | B | 0.0000 | |
| 49 | I | B | 0.0000 | |
| 50 | G | B | 0.0000 | |
| 51 | Y | B | 0.0000 | |
| 52 | I | B | 0.0000 | |
| 53 | S | B | 0.0000 | |
| 54 | Y | B | 0.0000 | |
| 55 | S | B | 0.0000 | |
| 56 | G | B | 0.0000 | |
| 57 | I | B | -0.0335 | |
| 58 | T | B | 0.2272 | |
| 59 | T | B | -0.0890 | |
| 60 | Y | B | -0.4974 | |
| 61 | N | B | -0.7147 | |
| 62 | P | B | -1.1330 | |
| 63 | S | B | -0.9362 | |
| 64 | L | B | 0.0000 | |
| 65 | K | B | -2.0034 | |
| 66 | S | B | -1.3016 | |
| 67 | R | B | -1.3124 | |
| 68 | V | B | 0.0000 | |
| 69 | T | B | -0.7841 | |
| 70 | M | B | 0.0000 | |
| 71 | L | B | 0.0168 | |
| 72 | R | B | -0.5253 | |
| 73 | D | B | -1.0726 | |
| 74 | T | B | -0.9065 | |
| 75 | S | B | -1.2663 | |
| 76 | K | B | -1.9636 | |
| 77 | N | B | 0.0000 | |
| 78 | Q | B | -0.9135 | |
| 79 | F | B | 0.0000 | |
| 80 | S | B | -0.4340 | |
| 81 | L | B | 0.0000 | |
| 82 | R | B | -1.3924 | |
| 83 | L | B | 0.0000 | |
| 84 | S | B | -1.0274 | |
| 85 | S | B | -1.1598 | |
| 86 | V | B | 0.0000 | |
| 87 | T | B | -0.5855 | |
| 88 | A | B | -0.2337 | |
| 89 | A | B | 0.0344 | |
| 90 | D | B | 0.0000 | |
| 91 | T | B | 0.0984 | |
| 92 | A | B | 0.0000 | |
| 93 | V | B | 0.1226 | |
| 94 | Y | B | 0.0000 | |
| 95 | Y | B | 0.0000 | |
| 96 | C | B | 0.0000 | |
| 97 | A | B | 0.0000 | |
| 98 | R | B | 0.0000 | |
| 99 | S | B | 0.0000 | |
| 100 | L | B | -0.0413 | |
| 101 | A | B | -0.2534 | |
| 102 | R | B | -0.4326 | |
| 103 | T | B | 0.0000 | |
| 104 | T | B | 0.0000 | |
| 105 | A | B | 0.0000 | |
| 106 | M | B | 0.0000 | |
| 107 | D | B | -0.3860 | |
| 108 | Y | B | -0.3526 | |
| 109 | W | B | -0.5659 | |
| 110 | G | B | 0.0000 | |
| 111 | Q | B | -1.2816 | |
| 112 | G | B | -0.6713 | |
| 113 | S | B | -0.2349 | |
| 114 | L | B | 0.0711 | |
| 115 | V | B | 0.0000 | |
| 116 | T | B | 0.0000 | |
| 117 | V | B | 0.0000 | |
| 118 | S | B | -0.7862 | |
| 119 | S | B | -0.9484 | |
| 120 | A | B | -0.5651 | |
| 121 | S | B | -0.6497 | |
| 122 | T | B | -0.7181 | |
| 123 | K | B | -1.1772 | |
| 124 | G | B | -1.3234 | |
| 125 | P | B | 0.0000 | |
| 126 | S | B | -0.4082 | |
| 127 | V | B | 0.0000 | |
| 128 | F | B | 0.0000 | |
| 129 | P | B | -1.0831 | |
| 130 | L | B | 0.0000 | |
| 131 | A | B | -1.1661 | |
| 132 | P | B | 0.0000 | |
| 133 | S | B | -1.0978 | |
| 134 | S | B | -0.9560 | |
| 135 | K | B | -1.1911 | |
| 136 | S | B | 0.0000 | |
| 137 | T | B | -0.7402 | |
| 138 | S | B | -0.7540 | |
| 139 | G | B | -0.8135 | |
| 140 | G | B | -0.9015 | |
| 141 | T | B | -0.6431 | |
| 142 | A | B | 0.0000 | |
| 143 | A | B | 0.0000 | |
| 144 | L | B | 0.0000 | |
| 145 | G | B | 0.0000 | |
| 146 | C | B | 0.0000 | |
| 147 | L | B | 0.0000 | |
| 148 | V | B | 0.0000 | |
| 149 | K | B | 0.0000 | |
| 150 | D | B | -0.2949 | |
| 151 | Y | B | 0.0000 | |
| 152 | F | B | 0.0000 | |
| 153 | P | B | 0.0000 | |
| 154 | E | B | -0.4036 | |
| 155 | P | B | -0.5580 | |
| 156 | V | B | 0.0000 | |
| 157 | T | B | -0.5400 | |
| 158 | V | B | 0.0000 | |
| 159 | S | B | -0.2699 | |
| 160 | W | B | 0.0000 | |
| 161 | N | B | -0.9081 | |
| 162 | S | B | -0.8930 | |
| 163 | G | B | -0.6089 | |
| 164 | A | B | -0.9849 | |
| 165 | L | B | -0.1292 | |
| 166 | T | B | -0.1992 | |
| 167 | S | B | -0.1821 | |
| 168 | G | B | -0.1490 | |
| 169 | V | B | 0.1541 | |
| 170 | H | B | -0.3078 | |
| 171 | T | B | -0.0206 | |
| 172 | F | B | 0.0000 | |
| 173 | P | B | -0.3087 | |
| 174 | A | B | 0.2421 | |
| 175 | V | B | 0.5720 | |
| 176 | L | B | 1.2838 | |
| 177 | Q | B | 0.3654 | |
| 178 | S | B | -0.0576 | |
| 179 | S | B | -0.1555 | |
| 180 | G | B | 0.1444 | |
| 181 | L | B | 0.2106 | |
| 182 | Y | B | 0.5681 | |
| 183 | S | B | 0.0000 | |
| 184 | L | B | 0.0000 | |
| 185 | S | B | 0.0000 | |
| 186 | S | B | 0.0000 | |
| 187 | V | B | 0.0000 | |
| 188 | V | B | 0.0000 | |
| 189 | T | B | -0.1717 | |
| 190 | V | B | 0.0000 | |
| 191 | P | B | -0.6309 | |
| 192 | S | B | -0.6856 | |
| 193 | S | B | -0.6173 | |
| 194 | S | B | -0.6136 | |
| 195 | L | B | -0.8673 | |
| 196 | G | B | -1.1307 | |
| 197 | T | B | -0.6914 | |
| 198 | Q | B | -1.2542 | |
| 199 | T | B | -1.0889 | |
| 200 | Y | B | 0.0000 | |
| 201 | I | B | -1.1407 | |
| 202 | C | B | 0.0000 | |
| 203 | N | B | 0.0000 | |
| 204 | V | B | 0.0000 | |
| 205 | N | B | 0.0000 | |
| 206 | H | B | 0.0000 | |
| 207 | K | B | -2.6496 | |
| 208 | P | B | -1.5750 | |
| 209 | S | B | -1.7551 | |
| 210 | N | B | -2.5396 | |
| 211 | T | B | -2.0148 | |
| 212 | K | B | -2.6105 | |
| 213 | V | B | -1.5798 | |
| 214 | D | B | -2.4417 | |
| 215 | K | B | -2.0228 | |
| 216 | K | B | -2.1906 | |
| 217 | V | B | 0.0000 | |
| 218 | E | B | -2.8179 | |
| 219 | P | B | -1.9765 | |
| 220 | K | B | -2.3764 | |
| 221 | S | B | -2.1362 | |
| 222 | C | B | -1.4960 | |
| 223 | D | B | -2.7805 | |
| 224 | K | B | -2.7884 | |
| 225 | T | B | -1.8104 | |
| 226 | H | B | -1.7952 | |
| 227 | T | B | -0.5631 | |
| 228 | C | B | 0.3438 | |
| 229 | P | B | -0.0702 | |
| 230 | P | B | 0.0888 | |
| 231 | C | B | 0.5814 | |
| 232 | P | B | -0.3173 | |
| 233 | A | B | -0.3149 | |
| 234 | P | B | -0.4763 | |
| 235 | E | B | -0.7237 | |
| 236 | L | B | 1.2834 | |
| 237 | L | B | 1.7863 | |
| 238 | G | B | 0.6454 | |
| 239 | G | B | 0.0000 | |
| 240 | D | B | 0.0000 | |
| 241 | S | B | 0.1614 | |
| 242 | V | B | 0.0000 | |
| 243 | F | B | 1.7465 | |
| 244 | L | B | 1.2966 | |
| 245 | F | B | 1.2916 | |
| 246 | P | B | -0.1062 | |
| 247 | P | B | 0.0000 | |
| 248 | K | B | -2.1354 | |
| 249 | P | B | -1.4910 | |
| 250 | K | B | -1.3538 | |
| 251 | D | B | 0.0000 | |
| 252 | T | B | 0.0000 | |
| 253 | L | B | 0.0000 | |
| 254 | M | B | 0.2889 | |
| 255 | I | B | 1.3320 | |
| 256 | S | B | -0.0536 | |
| 257 | R | B | -0.9742 | |
| 258 | T | B | -0.4805 | |
| 259 | P | B | 0.0000 | |
| 260 | E | B | -0.5529 | |
| 261 | V | B | 0.0000 | |
| 262 | T | B | 0.3317 | |
| 263 | C | B | 0.0000 | |
| 264 | V | B | 0.0000 | |
| 265 | V | B | 0.0000 | |
| 266 | V | B | -0.7180 | |
| 267 | D | B | -1.4152 | |
| 268 | V | B | 0.0000 | |
| 269 | S | B | -2.2262 | |
| 270 | H | B | -2.6963 | |
| 271 | E | B | -2.9948 | |
| 272 | D | B | -2.6585 | |
| 273 | P | B | -2.9626 | |
| 274 | E | B | -3.1733 | |
| 275 | V | B | -2.1263 | |
| 276 | K | B | -2.3042 | |
| 277 | F | B | -1.4156 | |
| 278 | N | B | -1.3675 | |
| 279 | W | B | 0.0000 | |
| 280 | Y | B | -1.0350 | |
| 281 | V | B | -1.2344 | |
| 282 | D | B | -2.2731 | |
| 283 | G | B | -1.1588 | |
| 284 | V | B | 0.1581 | |
| 285 | E | B | -1.5331 | |
| 286 | V | B | -1.1910 | |
| 287 | H | B | -1.9535 | |
| 288 | N | B | -2.2579 | |
| 289 | A | B | -1.8685 | |
| 290 | K | B | -2.3272 | |
| 291 | T | B | -1.8012 | |
| 292 | K | B | -2.1690 | |
| 293 | P | B | -2.0293 | |
| 294 | R | B | -3.2436 | |
| 295 | E | B | -3.1617 | |
| 296 | E | B | -3.1683 | |
| 297 | Q | B | -1.5787 | |
| 298 | Y | B | 0.4431 | |
| 299 | N | B | -0.2518 | |
| 300 | S | B | -0.9841 | |
| 301 | T | B | -1.8463 | |
| 302 | Y | B | 0.0000 | |
| 303 | R | B | -2.1817 | |
| 304 | V | B | 0.0000 | |
| 305 | V | B | 0.0000 | |
| 306 | S | B | 0.0000 | |
| 307 | V | B | 0.0000 | |
| 308 | L | B | 0.0000 | |
| 309 | T | B | -0.4329 | |
| 310 | V | B | 0.0000 | |
| 311 | L | B | 0.7698 | |
| 312 | H | B | 0.0763 | |
| 313 | Q | B | -0.8428 | |
| 314 | D | B | -1.0971 | |
| 315 | W | B | 0.0000 | |
| 316 | L | B | -0.8106 | |
| 317 | N | B | -1.4516 | |
| 318 | G | B | -1.6781 | |
| 319 | K | B | -2.0865 | |
| 320 | E | B | -2.4704 | |
| 321 | Y | B | 0.0000 | |
| 322 | K | B | -1.7323 | |
| 323 | C | B | 0.0000 | |
| 324 | K | B | -1.6190 | |
| 325 | V | B | 0.0000 | |
| 326 | S | B | -1.5489 | |
| 327 | N | B | 0.0000 | |
| 328 | K | B | -2.5853 | |
| 329 | A | B | -1.5426 | |
| 330 | L | B | 0.0000 | |
| 331 | P | B | -0.3835 | |
| 332 | A | B | -0.3604 | |
| 333 | P | B | -1.0759 | |
| 334 | I | B | -1.0927 | |
| 335 | E | B | -2.2273 | |
| 336 | K | B | -1.1677 | |
| 337 | T | B | -0.9796 | |
| 338 | I | B | -0.1049 | |
| 339 | S | B | -1.0397 | |
| 340 | K | B | 0.0000 | |
| 341 | A | B | -0.6932 | |
| 342 | K | B | -1.4899 | |
| 343 | G | B | -1.1906 | |
| 344 | Q | B | -1.3047 | |
| 345 | P | B | -0.9640 | |
| 346 | R | B | -1.3087 | |
| 347 | E | B | -1.5075 | |
| 348 | P | B | 0.0000 | |
| 349 | Q | B | -1.3026 | |
| 350 | V | B | 0.0000 | |
| 351 | C | B | 0.0000 | |
| 352 | T | B | -0.4927 | |
| 353 | L | B | 0.0000 | |
| 354 | P | B | -0.3312 | |
| 355 | P | B | 0.0000 | |
| 356 | S | B | -1.4899 | |
| 357 | R | B | -2.6983 | |
| 358 | D | B | -2.7115 | |
| 359 | E | B | 0.0000 | |
| 360 | L | B | -1.7698 | |
| 361 | T | B | -1.5956 | |
| 362 | K | B | -2.3422 | |
| 363 | N | B | -2.4695 | |
| 364 | Q | B | -2.3166 | |
| 365 | V | B | 0.0000 | |
| 366 | S | B | 0.0000 | |
| 367 | L | B | 0.0000 | |
| 368 | S | B | 0.0000 | |
| 369 | C | B | 0.0000 | |
| 370 | A | B | 0.0000 | |
| 371 | V | B | 0.0000 | |
| 372 | K | B | 0.0000 | |
| 373 | G | B | -0.7463 | |
| 374 | F | B | 0.0000 | |
| 375 | Y | B | -0.4612 | |
| 376 | P | B | 0.0000 | |
| 377 | S | B | -0.1025 | |
| 378 | D | B | -1.1380 | |
| 379 | I | B | 0.0000 | |
| 380 | A | B | -0.7807 | |
| 381 | V | B | 0.0000 | |
| 382 | E | B | -1.0942 | |
| 383 | W | B | 0.0000 | |
| 384 | E | B | -1.5034 | |
| 385 | S | B | 0.0000 | |
| 386 | N | B | -1.2649 | |
| 387 | G | B | -1.6777 | |
| 388 | Q | B | -2.0861 | |
| 389 | P | B | -1.7132 | |
| 390 | E | B | -1.5911 | |
| 391 | N | B | -1.9783 | |
| 392 | N | B | -1.4675 | |
| 393 | Y | B | -0.8949 | |
| 394 | K | B | -0.7961 | |
| 395 | T | B | -0.3238 | |
| 396 | T | B | 0.0000 | |
| 397 | P | B | -0.1317 | |
| 398 | P | B | 0.2652 | |
| 399 | V | B | 0.7133 | |
| 400 | L | B | 1.1294 | |
| 401 | D | B | -0.2031 | |
| 402 | S | B | -0.9788 | |
| 403 | D | B | -1.7778 | |
| 404 | G | B | -0.6353 | |
| 405 | S | B | 0.0000 | |
| 406 | F | B | 0.3533 | |
| 407 | F | B | 0.0000 | |
| 408 | L | B | 0.0000 | |
| 409 | V | B | 0.0000 | |
| 410 | S | B | 0.0000 | |
| 411 | K | B | 0.0000 | |
| 412 | L | B | 0.0000 | |
| 413 | T | B | -0.8563 | |
| 414 | V | B | 0.0000 | |
| 415 | D | B | -2.4102 | |
| 416 | K | B | -2.6434 | |
| 417 | S | B | -2.1702 | |
| 418 | R | B | -2.0151 | |
| 419 | W | B | 0.0000 | |
| 420 | Q | B | -2.2711 | |
| 421 | Q | B | -2.1680 | |
| 422 | G | B | -1.2747 | |
| 423 | N | B | -0.9333 | |
| 424 | V | B | -0.3658 | |
| 425 | F | B | 0.0000 | |
| 426 | S | B | 0.0000 | |
| 427 | C | B | 0.0000 | |
| 428 | S | B | 0.0000 | |
| 429 | V | B | 0.0000 | |
| 430 | M | B | -0.5089 | |
| 431 | H | B | 0.0000 | |
| 432 | E | B | -0.9507 | |
| 433 | A | B | -0.9150 | |
| 434 | L | B | 0.0000 | |
| 435 | H | B | -1.0780 | |
| 436 | N | B | -1.5657 | |
| 437 | H | B | -0.9573 | |
| 438 | Y | B | -0.4284 | |
| 439 | T | B | -0.5292 | |
| 440 | Q | B | -0.7364 | |
| 441 | K | B | -0.9966 | |
| 442 | S | B | -0.6891 | |
| 443 | L | B | 0.0000 | |
| 444 | S | B | -0.3509 | |
| 445 | L | B | -0.4660 | |
| 446 | S | B | -0.4472 | |
| 447 | P | B | -0.7644 | |
| 448 | G | B | -0.5915 | |
| 1 | D | C | -2.3161 | |
| 2 | I | C | 0.0000 | |
| 3 | Q | C | -2.3355 | |
| 4 | M | C | 0.0000 | |
| 5 | T | C | -1.3638 | |
| 6 | Q | C | 0.0000 | |
| 7 | S | C | -0.6950 | |
| 8 | P | C | -0.6156 | |
| 9 | S | C | -0.8693 | |
| 10 | S | C | -0.9522 | |
| 11 | L | C | -0.6389 | |
| 12 | S | C | -0.9808 | |
| 13 | A | C | 0.0000 | |
| 14 | S | C | -1.0366 | |
| 15 | V | C | -0.3734 | |
| 16 | G | C | -1.0714 | |
| 17 | D | C | -1.9309 | |
| 18 | R | C | -2.3911 | |
| 19 | V | C | 0.0000 | |
| 20 | T | C | -0.6588 | |
| 21 | I | C | 0.0000 | |
| 22 | T | C | -0.8256 | |
| 23 | C | C | 0.0000 | |
| 24 | R | C | -2.9883 | |
| 25 | A | C | 0.0000 | |
| 26 | S | C | -2.4260 | |
| 27 | Q | C | -3.0190 | |
| 28 | D | C | -2.8859 | |
| 29 | I | C | 0.0000 | |
| 30 | S | C | -1.0594 | |
| 31 | S | C | 0.0000 | |
| 32 | Y | C | 0.0000 | |
| 33 | L | C | 0.0000 | |
| 34 | N | C | 0.0000 | |
| 35 | W | C | 0.0000 | |
| 36 | Y | C | 0.0000 | |
| 37 | Q | C | 0.0000 | |
| 38 | Q | C | -1.0228 | |
| 39 | K | C | -1.4463 | |
| 40 | P | C | -1.2794 | |
| 41 | G | C | -1.4620 | |
| 42 | K | C | -1.7304 | |
| 43 | A | C | -1.1867 | |
| 44 | P | C | 0.0000 | |
| 45 | K | C | -1.0590 | |
| 46 | L | C | 0.0000 | |
| 47 | L | C | 0.0000 | |
| 48 | I | C | 0.0000 | |
| 49 | Y | C | 0.1058 | |
| 50 | Y | C | 0.0000 | |
| 51 | T | C | 0.0000 | |
| 52 | S | C | -0.2413 | |
| 53 | R | C | -0.3038 | |
| 54 | L | C | -0.0135 | |
| 55 | H | C | -0.3545 | |
| 56 | S | C | -0.8251 | |
| 57 | G | C | -1.0482 | |
| 58 | V | C | -0.5634 | |
| 59 | P | C | -0.4339 | |
| 60 | S | C | -0.3955 | |
| 61 | R | C | -0.7244 | |
| 62 | F | C | 0.0000 | |
| 63 | S | C | -0.2757 | |
| 64 | G | C | -0.2617 | |
| 65 | S | C | -0.5156 | |
| 66 | G | C | -0.9696 | |
| 67 | S | C | -1.1793 | |
| 68 | G | C | -1.7349 | |
| 69 | T | C | -2.3515 | |
| 70 | D | C | -2.3373 | |
| 71 | F | C | 0.0000 | |
| 72 | T | C | -0.7186 | |
| 73 | F | C | 0.0000 | |
| 74 | T | C | -0.5949 | |
| 75 | I | C | 0.0000 | |
| 76 | S | C | -1.3029 | |
| 77 | S | C | -1.1939 | |
| 78 | L | C | 0.0000 | |
| 79 | Q | C | -0.9679 | |
| 80 | P | C | -1.5048 | |
| 81 | E | C | -1.6255 | |
| 82 | D | C | 0.0000 | |
| 83 | I | C | 0.0000 | |
| 84 | A | C | 0.0000 | |
| 85 | T | C | -1.0332 | |
| 86 | Y | C | 0.0000 | |
| 87 | Y | C | 0.0000 | |
| 88 | C | C | 0.0000 | |
| 89 | Q | C | 0.0000 | |
| 90 | Q | C | 0.0000 | |
| 91 | G | C | 0.0000 | |
| 92 | N | C | 0.0000 | |
| 93 | T | C | -0.3399 | |
| 94 | L | C | 0.0654 | |
| 95 | P | C | 0.0000 | |
| 96 | Y | C | 0.0000 | |
| 97 | T | C | -0.6491 | |
| 98 | F | C | -0.3648 | |
| 99 | G | C | 0.0000 | |
| 100 | Q | C | -1.6295 | |
| 101 | G | C | 0.0000 | |
| 102 | T | C | 0.0000 | |
| 103 | K | C | -1.8685 | |
| 104 | V | C | 0.0000 | |
| 105 | E | C | -1.4366 | |
| 106 | I | C | 0.0000 | |
| 107 | K | C | -1.2540 | |
| 108 | R | C | -0.7570 | |
| 109 | T | C | 0.1695 | |
| 110 | V | C | 0.9512 | |
| 111 | A | C | 0.2430 | |
| 112 | A | C | 0.1089 | |
| 113 | P | C | 0.0000 | |
| 114 | S | C | -0.1854 | |
| 115 | V | C | 0.0000 | |
| 116 | F | C | 0.0000 | |
| 117 | I | C | 0.0000 | |
| 118 | F | C | 0.0000 | |
| 119 | P | C | -0.5780 | |
| 120 | P | C | 0.0000 | |
| 121 | S | C | -1.6908 | |
| 122 | D | C | -2.8668 | |
| 123 | E | C | -2.6581 | |
| 124 | Q | C | 0.0000 | |
| 125 | L | C | -2.1957 | |
| 126 | K | C | -2.7702 | |
| 127 | S | C | -1.7048 | |
| 128 | G | C | -1.4628 | |
| 129 | T | C | -1.1259 | |
| 130 | A | C | 0.0000 | |
| 131 | S | C | 0.0000 | |
| 132 | V | C | 0.0000 | |
| 133 | V | C | 0.0000 | |
| 134 | C | C | 0.0000 | |
| 135 | L | C | 0.0000 | |
| 136 | L | C | 0.0000 | |
| 137 | N | C | 0.0000 | |
| 138 | N | C | -0.7133 | |
| 139 | F | C | 0.0000 | |
| 140 | Y | C | -0.8099 | |
| 141 | P | C | -1.4447 | |
| 142 | R | C | -2.9140 | |
| 143 | E | C | -3.2256 | |
| 144 | A | C | -2.3304 | |
| 145 | K | C | -2.4592 | |
| 146 | V | C | -1.1644 | |
| 147 | Q | C | -0.4653 | |
| 148 | W | C | 0.0000 | |
| 149 | K | C | -0.5213 | |
| 150 | V | C | 0.0000 | |
| 151 | D | C | -1.8216 | |
| 152 | N | C | -1.5019 | |
| 153 | A | C | -0.3285 | |
| 154 | L | C | 0.6545 | |
| 155 | Q | C | -0.2055 | |
| 156 | S | C | -0.4668 | |
| 157 | G | C | -0.9197 | |
| 158 | N | C | -0.8869 | |
| 159 | S | C | -1.0487 | |
| 160 | Q | C | -1.1823 | |
| 161 | E | C | -1.4780 | |
| 162 | S | C | -0.8134 | |
| 163 | V | C | -0.7635 | |
| 164 | T | C | 0.0000 | |
| 165 | E | C | -2.2779 | |
| 166 | Q | C | 0.0000 | |
| 167 | D | C | -1.9390 | |
| 168 | S | C | -2.0731 | |
| 169 | K | C | -2.4681 | |
| 170 | D | C | -1.7600 | |
| 171 | S | C | 0.0000 | |
| 172 | T | C | 0.0000 | |
| 173 | Y | C | 0.0000 | |
| 174 | S | C | 0.0000 | |
| 175 | L | C | 0.0000 | |
| 176 | S | C | 0.0000 | |
| 177 | S | C | 0.0000 | |
| 178 | T | C | -0.5516 | |
| 179 | L | C | 0.0000 | |
| 180 | T | C | -0.3991 | |
| 181 | L | C | -0.5553 | |
| 182 | S | C | -1.0515 | |
| 183 | K | C | -2.1123 | |
| 184 | A | C | -1.6602 | |
| 185 | D | C | -2.1456 | |
| 186 | Y | C | 0.0000 | |
| 187 | E | C | -3.0730 | |
| 188 | K | C | -3.2882 | |
| 189 | H | C | -2.6118 | |
| 190 | K | C | -2.4382 | |
| 191 | V | C | -0.9684 | |
| 192 | Y | C | 0.0000 | |
| 193 | A | C | 0.0000 | |
| 194 | C | C | 0.0000 | |
| 195 | E | C | -0.5309 | |
| 196 | V | C | 0.0000 | |
| 197 | T | C | -1.1518 | |
| 198 | H | C | 0.0000 | |
| 199 | Q | C | -1.6430 | |
| 200 | G | C | -0.2950 | |
| 201 | L | C | -0.2418 | |
| 202 | S | C | -0.4754 | |
| 203 | S | C | -0.4376 | |
| 204 | P | C | -0.5462 | |
| 205 | V | C | 0.1108 | |
| 206 | T | C | -0.3155 | |
| 207 | K | C | -0.7488 | |
| 208 | S | C | -0.5778 | |
| 209 | F | C | 0.0000 | |
| 210 | N | C | -1.5892 | |
| 211 | R | C | -2.0803 | |
| 212 | G | C | -1.8197 | |
| 213 | E | C | -2.2904 | |
| 1 | D | D | -2.2591 | |
| 2 | I | D | 0.0000 | |
| 3 | Q | D | -2.3396 | |
| 4 | M | D | 0.0000 | |
| 5 | T | D | -1.3938 | |
| 6 | Q | D | 0.0000 | |
| 7 | S | D | -0.6941 | |
| 8 | P | D | -0.6271 | |
| 9 | S | D | -0.8841 | |
| 10 | S | D | -1.0256 | |
| 11 | L | D | -0.7559 | |
| 12 | S | D | -1.0960 | |
| 13 | A | D | 0.0000 | |
| 14 | S | D | -0.9928 | |
| 15 | V | D | -0.2534 | |
| 16 | G | D | -0.9790 | |
| 17 | D | D | -1.7954 | |
| 18 | R | D | -2.3163 | |
| 19 | V | D | 0.0000 | |
| 20 | T | D | -0.6169 | |
| 21 | I | D | 0.0000 | |
| 22 | T | D | -0.8417 | |
| 23 | C | D | 0.0000 | |
| 24 | R | D | -3.0667 | |
| 25 | A | D | 0.0000 | |
| 26 | S | D | -2.4923 | |
| 27 | Q | D | -3.0975 | |
| 28 | D | D | -2.9710 | |
| 29 | I | D | 0.0000 | |
| 30 | S | D | -1.2536 | |
| 31 | S | D | -0.7856 | |
| 32 | Y | D | 0.0000 | |
| 33 | L | D | 0.0000 | |
| 34 | N | D | 0.0000 | |
| 35 | W | D | 0.0000 | |
| 36 | Y | D | 0.0000 | |
| 37 | Q | D | 0.0000 | |
| 38 | Q | D | 0.0000 | |
| 39 | K | D | -1.8503 | |
| 40 | P | D | -1.6621 | |
| 41 | G | D | -1.7360 | |
| 42 | K | D | -2.3806 | |
| 43 | A | D | -1.5567 | |
| 44 | P | D | 0.0000 | |
| 45 | K | D | -1.9700 | |
| 46 | L | D | 0.0000 | |
| 47 | L | D | 0.0000 | |
| 48 | I | D | 0.0000 | |
| 49 | Y | D | 0.1652 | |
| 50 | Y | D | 0.0000 | |
| 51 | T | D | 0.0000 | |
| 52 | S | D | -0.6082 | |
| 53 | R | D | -0.5295 | |
| 54 | L | D | -0.2863 | |
| 55 | H | D | -0.4511 | |
| 56 | S | D | -0.5123 | |
| 57 | G | D | -0.6275 | |
| 58 | V | D | 0.0000 | |
| 59 | P | D | -0.4356 | |
| 60 | S | D | -0.4826 | |
| 61 | R | D | -0.7597 | |
| 62 | F | D | 0.0000 | |
| 63 | S | D | -0.3588 | |
| 64 | G | D | 0.0000 | |
| 65 | S | D | -0.7148 | |
| 66 | G | D | -1.0964 | |
| 67 | S | D | -1.2871 | |
| 68 | G | D | -1.7638 | |
| 69 | T | D | -2.4205 | |
| 70 | D | D | -2.5063 | |
| 71 | F | D | 0.0000 | |
| 72 | T | D | -0.7579 | |
| 73 | F | D | 0.0000 | |
| 74 | T | D | -0.5771 | |
| 75 | I | D | 0.0000 | |
| 76 | S | D | -1.2703 | |
| 77 | S | D | -1.1451 | |
| 78 | L | D | 0.0000 | |
| 79 | Q | D | -0.9541 | |
| 80 | P | D | -1.5580 | |
| 81 | E | D | -1.6839 | |
| 82 | D | D | 0.0000 | |
| 83 | I | D | 0.0000 | |
| 84 | A | D | 0.0000 | |
| 85 | T | D | 0.0000 | |
| 86 | Y | D | 0.0000 | |
| 87 | Y | D | 0.0000 | |
| 88 | C | D | 0.0000 | |
| 89 | Q | D | 0.0000 | |
| 90 | Q | D | 0.0000 | |
| 91 | G | D | 0.0000 | |
| 92 | N | D | -0.5527 | |
| 93 | T | D | -0.5128 | |
| 94 | L | D | 0.0779 | |
| 95 | P | D | 0.0000 | |
| 96 | Y | D | 0.0000 | |
| 97 | T | D | -0.6536 | |
| 98 | F | D | -0.3681 | |
| 99 | G | D | 0.0000 | |
| 100 | Q | D | -1.5982 | |
| 101 | G | D | 0.0000 | |
| 102 | T | D | 0.0000 | |
| 103 | K | D | -1.9155 | |
| 104 | V | D | 0.0000 | |
| 105 | E | D | -1.6427 | |
| 106 | I | D | 0.0000 | |
| 107 | K | D | -1.3499 | |
| 108 | R | D | -0.7768 | |
| 109 | T | D | 0.0878 | |
| 110 | V | D | 0.8457 | |
| 111 | A | D | 0.2160 | |
| 112 | A | D | 0.0619 | |
| 113 | P | D | 0.0000 | |
| 114 | S | D | -0.2156 | |
| 115 | V | D | 0.0000 | |
| 116 | F | D | 0.0000 | |
| 117 | I | D | 0.0000 | |
| 118 | F | D | 0.0000 | |
| 119 | P | D | -0.5577 | |
| 120 | P | D | 0.0000 | |
| 121 | S | D | -1.7689 | |
| 122 | D | D | -2.9705 | |
| 123 | E | D | -2.8023 | |
| 124 | Q | D | 0.0000 | |
| 125 | L | D | -2.3839 | |
| 126 | K | D | -2.8875 | |
| 127 | S | D | -1.8037 | |
| 128 | G | D | -1.6215 | |
| 129 | T | D | -1.3016 | |
| 130 | A | D | 0.0000 | |
| 131 | S | D | 0.0000 | |
| 132 | V | D | 0.0000 | |
| 133 | V | D | 0.0000 | |
| 134 | C | D | 0.0000 | |
| 135 | L | D | 0.0000 | |
| 136 | L | D | 0.0000 | |
| 137 | N | D | 0.0000 | |
| 138 | N | D | -0.6856 | |
| 139 | F | D | 0.0000 | |
| 140 | Y | D | -0.6472 | |
| 141 | P | D | -1.1773 | |
| 142 | R | D | -2.3234 | |
| 143 | E | D | -2.8856 | |
| 144 | A | D | -2.1361 | |
| 145 | K | D | -2.4907 | |
| 146 | V | D | -1.1486 | |
| 147 | Q | D | -0.4437 | |
| 148 | W | D | 0.0000 | |
| 149 | K | D | -0.4401 | |
| 150 | V | D | 0.0000 | |
| 151 | D | D | -1.7877 | |
| 152 | N | D | -1.4550 | |
| 153 | A | D | -0.2903 | |
| 154 | L | D | 0.7005 | |
| 155 | Q | D | -0.3668 | |
| 156 | S | D | -0.6398 | |
| 157 | G | D | -1.2544 | |
| 158 | N | D | -1.5874 | |
| 159 | S | D | -1.3667 | |
| 160 | Q | D | -1.2454 | |
| 161 | E | D | -1.6077 | |
| 162 | S | D | -0.8060 | |
| 163 | V | D | -0.8813 | |
| 164 | T | D | 0.0000 | |
| 165 | E | D | -2.2626 | |
| 166 | Q | D | 0.0000 | |
| 167 | D | D | -1.9955 | |
| 168 | S | D | -2.1741 | |
| 169 | K | D | -2.5228 | |
| 170 | D | D | -1.8486 | |
| 171 | S | D | 0.0000 | |
| 172 | T | D | 0.0000 | |
| 173 | Y | D | 0.0000 | |
| 174 | S | D | 0.0000 | |
| 175 | L | D | 0.0000 | |
| 176 | S | D | 0.0000 | |
| 177 | S | D | 0.0000 | |
| 178 | T | D | -0.6290 | |
| 179 | L | D | 0.0000 | |
| 180 | T | D | -0.6860 | |
| 181 | L | D | 0.0000 | |
| 182 | S | D | -1.2620 | |
| 183 | K | D | -2.4266 | |
| 184 | A | D | -1.8861 | |
| 185 | D | D | -2.2741 | |
| 186 | Y | D | 0.0000 | |
| 187 | E | D | -3.3913 | |
| 188 | K | D | -3.4166 | |
| 189 | H | D | -2.6487 | |
| 190 | K | D | -2.4442 | |
| 191 | V | D | -0.9551 | |
| 192 | Y | D | 0.0000 | |
| 193 | A | D | 0.0000 | |
| 194 | C | D | 0.0000 | |
| 195 | E | D | -0.5204 | |
| 196 | V | D | 0.0000 | |
| 197 | T | D | -1.1363 | |
| 198 | H | D | 0.0000 | |
| 199 | Q | D | -1.5949 | |
| 200 | G | D | -0.3128 | |
| 201 | L | D | -0.2335 | |
| 202 | S | D | -0.4563 | |
| 203 | S | D | -0.4287 | |
| 204 | P | D | -0.5381 | |
| 205 | V | D | 0.0954 | |
| 206 | T | D | -0.3141 | |
| 207 | K | D | -0.7429 | |
| 208 | S | D | -0.6010 | |
| 209 | F | D | 0.0000 | |
| 210 | N | D | -1.5911 | |
| 211 | R | D | -2.1542 | |
| 212 | G | D | -1.9630 | |
| 213 | E | D | -2.3043 |
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