| Chain sequence(s) |
A: MELMFAEWEDGERFSFEDSDRFEEDSLCSFISEAESLCQNWRGWRKQSAGPNSPTGGGGGGGSGGTRMRDGLVIPLVELSAKQVAFHIPFEVVEKVYPPVPEQLQLRIAFWSFPENEEDIRLYSCLANGSADEFQRGDQLFRMRAVKDPLQIGFHLSATVVPPQMVPPKGAYNVAVMFDRCRVTSCSCTCGAGAKWCTHVVALCLFRIHNASAVCLRAPVSESLSRLQRDQLQKFAQYLISELPQQILPTAQRLLDELLSSQSTAINTVCGAPDPTAGPSASDQSTWYLDESTLTDNIKKTLHKFCGPSPVVFSDVNSMYLSSTEPPAAAEWACLLRPLRGREPEGVWNLLSIVREMFKRRDSNAAPLLEILTDQCLTYEQITGWWYSVRTSASHSSASGHTGRSNGQSEVAAHACASMCDEMVTLWRLAVLDPALSPQRRRELCTQLRQWQLKVIENVKRGQHKKTLERLFPGFRPAVEACYFNWEEAYPLPGVTYSGTDRKLALCWARALPSRPGASRSGGLEESRDRPRPLPTEPAVRPKEPGTKRKGLGEGVPSSQRGPRRLSAEGGDKALHKMGPGGGKAKALGGAGSGSKGSAGGGSKRRLSSEDSSLEPDLAEMSLDDSSLALGAEASTFGGFPESPPPCPLHGGSRGPSTFLPEPPDTYEEDGGVYFSEGPEPPTASVGPPGLLPGDVCTQDDLPSTDESGNGLPKTKEAAPAVGEEDDDYQAYYLNAQDGAGGEEEKAEGGAGEEHDLFAGLKPLEQESRMEVLFACAEALHAHGYSSEASRLTVELAQDLLANPPDLKVEPPPAKGKKNKVSTSRQTWVATNTLSKAAFLLTVLSERPEHHNLAFRVGMFALELQRPPASTKALEVKLAYQESEVAALLKKIPLGPSEMSTMRCRAEELREGTLCDYRPVLPLMLASFIFDVLCAPGSRPPSRNWNSETPGDEELGFEAAVAALGMKTTVSEAEHPLLCEGTRREKGDLALALMITYKDDQAKLKKILDKLLDRESQTHKPQTLSSFYSSSRPTTASQRSPSKHGGPSAPGALQPLTSGSAGPAQPGSVAGAGPGPTEGFTEKNVPESSPHSPCEGLPSEAALTPRPEGKVPSRLALGSRGGYNGRGWGSPGRPKKKHTGMASIDSSAPETTSDSSPTLSRRPLRGGWAPTSWGRGQDSDSISSSSSDSLGSSSSSGSRRASASGGARAKTVEVGRYKGRRPESHAPHVPNQPSEAAAHFYFELAKTVLIKAGGNSSTSIFTHPSSSGGHQGPHRNLHLCAFEIGLYALGLHNFVSPNWLSRTYSSHVSWITGQAMEIGSAALTILVECWDGHLTPPEVASLADRASRARDSNMVRAAAELALSCLPHAHALNPNEIQRALVQCKEQDNLMLEKACMAVEEAAKGGGVYPEVLFEVAHQWFWLYEQTAGGSSTAREGATSCSASGIRAGGEAGRGMPEGRGGPGTEPVTVAAAAVTAAATVVPVISVGSSLYPGPGLGHGHSPGLHPYTALQPHLPCSPQYLTHPAHPAHPMPHMPRPAVFPVPSSAYPQGVHPAFLGAQYPYSVTPPSLAATAVSFPVPSMAPITVHPYHTEPGLPLPTSVACELWGQGTVSSVHPASTFPAIQGASLPALTTQPSPLVSGGFPPPEEETHSQPVNPHSLHHLHAAYRVGMLALEMLGRRAHNDHPNNFSRSPPYTDDVKWLLGLAAKLGVNYVHQFCVGAAKGVLSPFVLQEIVMETLQRLSPAHAHNHLRAPAFHQLVQRCQQAYMQYIHHRLIHLTPADYDDFVNAIRSARSAFCLTPMGMMQFNDILQNLKRSKQTKELWQRVSLEMATFSP
input PDB |
| Selected Chain(s) | A |
| 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] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is partially or entirely disordered. Average score is
recommended for pH analysis. (00:00:12)
[INFO] FoldX: Starting FoldX energy minimization (00:00:12)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:21:47)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/d99021f250b4f31/tmp/folded.pdb (00:21:47)
[INFO] Main: Simulation completed successfully. (00:32:07)
|
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 | 1.5439 | |
| 2 | E | A | 0.1940 | |
| 3 | L | A | 1.8570 | |
| 4 | M | A | 2.1955 | |
| 5 | F | A | 2.0108 | |
| 6 | A | A | 0.2088 | |
| 7 | E | A | -1.1466 | |
| 8 | W | A | -0.4245 | |
| 9 | E | A | -3.0073 | |
| 10 | D | A | -3.6266 | |
| 11 | G | A | -2.8949 | |
| 12 | E | A | -3.1662 | |
| 13 | R | A | -2.3429 | |
| 14 | F | A | 0.2227 | |
| 15 | S | A | -0.1203 | |
| 16 | F | A | 0.4158 | |
| 17 | E | A | -2.4953 | |
| 18 | D | A | -2.7262 | |
| 19 | S | A | -2.3107 | |
| 20 | D | A | -4.0231 | |
| 21 | R | A | -3.8688 | |
| 22 | F | A | -1.6722 | |
| 23 | E | A | -3.0572 | |
| 24 | E | A | -3.3361 | |
| 25 | D | A | -3.0504 | |
| 26 | S | A | -0.3543 | |
| 27 | L | A | 1.1672 | |
| 28 | C | A | 2.3082 | |
| 29 | S | A | 1.9217 | |
| 30 | F | A | 2.8917 | |
| 31 | I | A | 2.6359 | |
| 32 | S | A | 0.6493 | |
| 33 | E | A | -1.2506 | |
| 34 | A | A | -0.9824 | |
| 35 | E | A | -1.9151 | |
| 36 | S | A | -0.8606 | |
| 37 | L | A | 0.3618 | |
| 38 | C | A | -0.3903 | |
| 39 | Q | A | -0.6393 | |
| 40 | N | A | -0.5121 | |
| 41 | W | A | 0.0000 | |
| 42 | R | A | -2.2035 | |
| 43 | G | A | -2.4943 | |
| 44 | W | A | 0.0000 | |
| 45 | R | A | -3.3845 | |
| 46 | K | A | -3.1827 | |
| 47 | Q | A | -2.5093 | |
| 48 | S | A | -1.5662 | |
| 49 | A | A | -1.1189 | |
| 50 | G | A | -1.2733 | |
| 51 | P | A | -1.2978 | |
| 52 | N | A | -1.8794 | |
| 53 | S | A | -1.2094 | |
| 54 | P | A | -0.9568 | |
| 55 | T | A | -0.8694 | |
| 56 | G | A | -0.9996 | |
| 57 | G | A | -1.0566 | |
| 58 | G | A | -1.1919 | |
| 59 | G | A | -1.1708 | |
| 60 | G | A | -1.1161 | |
| 61 | G | A | -1.1770 | |
| 62 | G | A | -1.0302 | |
| 63 | S | A | -1.1292 | |
| 64 | G | A | -1.3984 | |
| 65 | G | A | -1.4965 | |
| 66 | T | A | -1.4516 | |
| 67 | R | A | -2.4004 | |
| 68 | M | A | -0.6893 | |
| 69 | R | A | -2.3601 | |
| 70 | D | A | -2.2452 | |
| 71 | G | A | -0.3399 | |
| 72 | L | A | 1.5657 | |
| 73 | V | A | 2.6929 | |
| 74 | I | A | 2.5423 | |
| 75 | P | A | 2.0163 | |
| 76 | L | A | 2.4465 | |
| 77 | V | A | 1.5905 | |
| 78 | E | A | 0.8062 | |
| 79 | L | A | 1.2031 | |
| 80 | S | A | 0.5257 | |
| 81 | A | A | 0.0000 | |
| 82 | K | A | -0.2398 | |
| 83 | Q | A | -0.6547 | |
| 84 | V | A | -0.0000 | |
| 85 | A | A | 0.0000 | |
| 86 | F | A | 0.7534 | |
| 87 | H | A | 0.1325 | |
| 88 | I | A | 0.7075 | |
| 89 | P | A | 0.0371 | |
| 90 | F | A | 0.0000 | |
| 91 | E | A | -0.5978 | |
| 92 | V | A | 0.3201 | |
| 93 | V | A | 0.0000 | |
| 94 | E | A | -1.3116 | |
| 95 | K | A | -1.1012 | |
| 96 | V | A | 0.8859 | |
| 97 | Y | A | 1.1636 | |
| 98 | P | A | 0.4371 | |
| 99 | P | A | -0.0991 | |
| 100 | V | A | -0.2410 | |
| 101 | P | A | -0.8381 | |
| 102 | E | A | -1.2917 | |
| 103 | Q | A | -1.3680 | |
| 104 | L | A | -0.4127 | |
| 105 | Q | A | -0.8241 | |
| 106 | L | A | -0.5772 | |
| 107 | R | A | -0.3888 | |
| 108 | I | A | 0.0000 | |
| 109 | A | A | 0.0000 | |
| 110 | F | A | 0.2337 | |
| 111 | W | A | -0.0515 | |
| 112 | S | A | 0.0000 | |
| 113 | F | A | 0.0000 | |
| 114 | P | A | 0.0000 | |
| 115 | E | A | -2.2314 | |
| 116 | N | A | -1.8479 | |
| 117 | E | A | -2.0009 | |
| 118 | E | A | -2.4366 | |
| 119 | D | A | 0.0000 | |
| 120 | I | A | 0.0000 | |
| 121 | R | A | -1.8786 | |
| 122 | L | A | 0.0000 | |
| 123 | Y | A | 0.0000 | |
| 124 | S | A | 0.0000 | |
| 125 | C | A | 0.0000 | |
| 126 | L | A | 0.0000 | |
| 127 | A | A | 0.0000 | |
| 128 | N | A | -0.7153 | |
| 129 | G | A | 0.0000 | |
| 130 | S | A | -1.2273 | |
| 131 | A | A | 0.0000 | |
| 132 | D | A | -3.1457 | |
| 133 | E | A | -2.4948 | |
| 134 | F | A | 0.0000 | |
| 135 | Q | A | -3.1796 | |
| 136 | R | A | -3.3790 | |
| 137 | G | A | 0.0000 | |
| 138 | D | A | -2.8212 | |
| 139 | Q | A | -2.8314 | |
| 140 | L | A | 0.0000 | |
| 141 | F | A | -1.9723 | |
| 142 | R | A | -2.7289 | |
| 143 | M | A | -1.5979 | |
| 144 | R | A | -2.5030 | |
| 145 | A | A | 0.0000 | |
| 146 | V | A | 0.0000 | |
| 147 | K | A | -2.3726 | |
| 148 | D | A | -2.3235 | |
| 149 | P | A | -0.7752 | |
| 150 | L | A | -0.0822 | |
| 151 | Q | A | 0.0000 | |
| 152 | I | A | 0.0419 | |
| 153 | G | A | 0.0000 | |
| 154 | F | A | 0.0000 | |
| 155 | H | A | -0.2376 | |
| 156 | L | A | 0.0000 | |
| 157 | S | A | -0.5119 | |
| 158 | A | A | 0.0000 | |
| 159 | T | A | -1.2633 | |
| 160 | V | A | 0.0000 | |
| 161 | V | A | -0.7527 | |
| 162 | P | A | -0.4498 | |
| 163 | P | A | -0.5160 | |
| 164 | Q | A | -0.5930 | |
| 165 | M | A | 1.1684 | |
| 166 | V | A | 1.4233 | |
| 167 | P | A | -0.1250 | |
| 168 | P | A | -0.9920 | |
| 169 | K | A | -1.8674 | |
| 170 | G | A | -1.2681 | |
| 171 | A | A | -0.8978 | |
| 172 | Y | A | -0.7774 | |
| 173 | N | A | -1.3926 | |
| 174 | V | A | 0.0000 | |
| 175 | A | A | -0.2888 | |
| 176 | V | A | 0.0000 | |
| 177 | M | A | -0.0863 | |
| 178 | F | A | 0.0000 | |
| 179 | D | A | 0.0000 | |
| 180 | R | A | 0.0290 | |
| 181 | C | A | -0.2069 | |
| 182 | R | A | -0.4711 | |
| 183 | V | A | 0.0000 | |
| 184 | T | A | -0.1751 | |
| 185 | S | A | -0.1637 | |
| 186 | C | A | 0.0000 | |
| 187 | S | A | -0.5421 | |
| 188 | C | A | -0.4503 | |
| 189 | T | A | -0.3682 | |
| 190 | C | A | -0.4866 | |
| 191 | G | A | -0.5313 | |
| 192 | A | A | -0.4812 | |
| 193 | G | A | -0.7504 | |
| 194 | A | A | -0.9022 | |
| 195 | K | A | -0.8658 | |
| 196 | W | A | 0.0000 | |
| 197 | C | A | 0.0000 | |
| 198 | T | A | 0.0000 | |
| 199 | H | A | 0.0000 | |
| 200 | V | A | 0.0000 | |
| 201 | V | A | 0.0000 | |
| 202 | A | A | 0.0000 | |
| 203 | L | A | 0.0000 | |
| 204 | C | A | 0.0000 | |
| 205 | L | A | 0.0000 | |
| 206 | F | A | -0.6840 | |
| 207 | R | A | 0.0000 | |
| 208 | I | A | -0.9463 | |
| 209 | H | A | -1.0586 | |
| 210 | N | A | -1.0221 | |
| 211 | A | A | -0.4983 | |
| 212 | S | A | -0.2084 | |
| 213 | A | A | -0.0432 | |
| 214 | V | A | 0.0000 | |
| 215 | C | A | 0.4058 | |
| 216 | L | A | 0.1637 | |
| 217 | R | A | -1.1944 | |
| 218 | A | A | -0.8849 | |
| 219 | P | A | 0.0000 | |
| 220 | V | A | 0.1674 | |
| 221 | S | A | -0.3560 | |
| 222 | E | A | -1.0070 | |
| 223 | S | A | -0.6213 | |
| 224 | L | A | -0.1447 | |
| 225 | S | A | -1.0640 | |
| 226 | R | A | -2.0299 | |
| 227 | L | A | -1.7254 | |
| 228 | Q | A | -2.8398 | |
| 229 | R | A | -3.2528 | |
| 230 | D | A | -2.6235 | |
| 231 | Q | A | -2.6107 | |
| 232 | L | A | -1.6866 | |
| 233 | Q | A | -2.4560 | |
| 234 | K | A | -2.0714 | |
| 235 | F | A | -0.1520 | |
| 236 | A | A | -0.3489 | |
| 237 | Q | A | -1.0924 | |
| 238 | Y | A | 0.4568 | |
| 239 | L | A | 0.3552 | |
| 240 | I | A | 0.2209 | |
| 241 | S | A | -0.4183 | |
| 242 | E | A | -1.3200 | |
| 243 | L | A | -0.0635 | |
| 244 | P | A | -0.4226 | |
| 245 | Q | A | -0.9065 | |
| 246 | Q | A | -0.3983 | |
| 247 | I | A | 0.1770 | |
| 248 | L | A | -0.1139 | |
| 249 | P | A | -0.4898 | |
| 250 | T | A | -0.7246 | |
| 251 | A | A | -0.8264 | |
| 252 | Q | A | -1.9581 | |
| 253 | R | A | -2.4024 | |
| 254 | L | A | -0.5522 | |
| 255 | L | A | -0.3966 | |
| 256 | D | A | -2.0787 | |
| 257 | E | A | -1.9033 | |
| 258 | L | A | -0.0721 | |
| 259 | L | A | 0.5837 | |
| 260 | S | A | -0.5670 | |
| 261 | S | A | -0.8744 | |
| 262 | Q | A | -1.4502 | |
| 263 | S | A | -1.0032 | |
| 264 | T | A | -0.6991 | |
| 265 | A | A | 0.0049 | |
| 266 | I | A | 0.6174 | |
| 267 | N | A | -0.3330 | |
| 268 | T | A | 0.6057 | |
| 269 | V | A | 1.8134 | |
| 270 | C | A | 1.2396 | |
| 271 | G | A | 0.3312 | |
| 272 | A | A | 0.1836 | |
| 273 | P | A | -0.2839 | |
| 274 | D | A | -0.4979 | |
| 275 | P | A | -0.3691 | |
| 276 | T | A | 0.0000 | |
| 277 | A | A | -0.4329 | |
| 278 | G | A | -0.5262 | |
| 279 | P | A | -0.8912 | |
| 280 | S | A | -0.8412 | |
| 281 | A | A | -0.4526 | |
| 282 | S | A | -1.1240 | |
| 283 | D | A | -2.1325 | |
| 284 | Q | A | -1.6877 | |
| 285 | S | A | -0.9657 | |
| 286 | T | A | -0.6334 | |
| 287 | W | A | 0.0000 | |
| 288 | Y | A | -0.0996 | |
| 289 | L | A | -0.4439 | |
| 290 | D | A | 0.0000 | |
| 291 | E | A | -2.0856 | |
| 292 | S | A | -1.5655 | |
| 293 | T | A | -1.4262 | |
| 294 | L | A | 0.0000 | |
| 295 | T | A | -1.8511 | |
| 296 | D | A | -2.6308 | |
| 297 | N | A | 0.0000 | |
| 298 | I | A | 0.0000 | |
| 299 | K | A | -2.3154 | |
| 300 | K | A | -2.8866 | |
| 301 | T | A | -2.0319 | |
| 302 | L | A | 0.0000 | |
| 303 | H | A | -2.4592 | |
| 304 | K | A | -2.7570 | |
| 305 | F | A | 0.0000 | |
| 306 | C | A | -1.2524 | |
| 307 | G | A | -1.2714 | |
| 308 | P | A | -0.6557 | |
| 309 | S | A | -0.2060 | |
| 310 | P | A | 1.1455 | |
| 311 | V | A | 2.7992 | |
| 312 | V | A | 3.5547 | |
| 313 | F | A | 3.2991 | |
| 314 | S | A | 1.6340 | |
| 315 | D | A | 0.3511 | |
| 316 | V | A | 1.6144 | |
| 317 | N | A | 0.3147 | |
| 318 | S | A | 1.0993 | |
| 319 | M | A | 1.6617 | |
| 320 | Y | A | 1.7214 | |
| 321 | L | A | 1.4166 | |
| 322 | S | A | 0.3955 | |
| 323 | S | A | 0.3229 | |
| 324 | T | A | 0.1734 | |
| 325 | E | A | -0.8174 | |
| 326 | P | A | 0.0000 | |
| 327 | P | A | -0.6492 | |
| 328 | A | A | 0.0000 | |
| 329 | A | A | 0.0000 | |
| 330 | A | A | -0.4035 | |
| 331 | E | A | -0.8223 | |
| 332 | W | A | 0.0000 | |
| 333 | A | A | -0.5355 | |
| 334 | C | A | -0.8822 | |
| 335 | L | A | -0.9054 | |
| 336 | L | A | 0.0000 | |
| 337 | R | A | -2.5947 | |
| 338 | P | A | 0.0000 | |
| 339 | L | A | -1.2144 | |
| 340 | R | A | -2.3316 | |
| 341 | G | A | -2.3911 | |
| 342 | R | A | -2.1493 | |
| 343 | E | A | -2.2740 | |
| 344 | P | A | -1.4840 | |
| 345 | E | A | -1.5481 | |
| 346 | G | A | 0.0000 | |
| 347 | V | A | 0.0000 | |
| 348 | W | A | -0.5829 | |
| 349 | N | A | 0.0000 | |
| 350 | L | A | 0.0000 | |
| 351 | L | A | 0.0000 | |
| 352 | S | A | -0.3151 | |
| 353 | I | A | 0.0000 | |
| 354 | V | A | 0.0000 | |
| 355 | R | A | -1.2156 | |
| 356 | E | A | -1.5633 | |
| 357 | M | A | 0.0000 | |
| 358 | F | A | 0.0000 | |
| 359 | K | A | -2.1864 | |
| 360 | R | A | -2.8361 | |
| 361 | R | A | -3.0006 | |
| 362 | D | A | -1.8209 | |
| 363 | S | A | -1.1098 | |
| 364 | N | A | 0.0000 | |
| 365 | A | A | 0.0000 | |
| 366 | A | A | -0.3772 | |
| 367 | P | A | -0.7012 | |
| 368 | L | A | 0.0000 | |
| 369 | L | A | 0.0000 | |
| 370 | E | A | -1.2551 | |
| 371 | I | A | -0.9282 | |
| 372 | L | A | 0.0000 | |
| 373 | T | A | 0.0000 | |
| 374 | D | A | -1.1790 | |
| 375 | Q | A | -0.9457 | |
| 376 | C | A | 0.0000 | |
| 377 | L | A | 0.0000 | |
| 378 | T | A | -0.9242 | |
| 379 | Y | A | -1.3276 | |
| 380 | E | A | -2.6582 | |
| 381 | Q | A | -1.5803 | |
| 382 | I | A | 0.0000 | |
| 383 | T | A | 0.0000 | |
| 384 | G | A | -1.3597 | |
| 385 | W | A | -0.7014 | |
| 386 | W | A | 0.0000 | |
| 387 | Y | A | 0.0000 | |
| 388 | S | A | -0.2124 | |
| 389 | V | A | -0.5154 | |
| 390 | R | A | -0.7379 | |
| 391 | T | A | 0.0000 | |
| 392 | S | A | -0.5383 | |
| 393 | A | A | -0.7242 | |
| 394 | S | A | -0.7810 | |
| 395 | H | A | -1.2852 | |
| 396 | S | A | -1.0671 | |
| 397 | S | A | -0.8501 | |
| 398 | A | A | -0.5150 | |
| 399 | S | A | -0.9172 | |
| 400 | G | A | -1.3631 | |
| 401 | H | A | -1.6286 | |
| 402 | T | A | -1.3384 | |
| 403 | G | A | -1.8917 | |
| 404 | R | A | -2.7102 | |
| 405 | S | A | -2.3731 | |
| 406 | N | A | -2.7134 | |
| 407 | G | A | -2.3781 | |
| 408 | Q | A | -1.8185 | |
| 409 | S | A | -1.8358 | |
| 410 | E | A | -2.1908 | |
| 411 | V | A | 0.0000 | |
| 412 | A | A | 0.0000 | |
| 413 | A | A | 0.0000 | |
| 414 | H | A | -1.0733 | |
| 415 | A | A | 0.0000 | |
| 416 | C | A | 0.0000 | |
| 417 | A | A | 0.0000 | |
| 418 | S | A | -0.6261 | |
| 419 | M | A | 0.0000 | |
| 420 | C | A | 0.0000 | |
| 421 | D | A | -0.7958 | |
| 422 | E | A | -0.5896 | |
| 423 | M | A | 0.0000 | |
| 424 | V | A | 0.0000 | |
| 425 | T | A | -0.3985 | |
| 426 | L | A | 0.0000 | |
| 427 | W | A | 0.0000 | |
| 428 | R | A | -0.5247 | |
| 429 | L | A | 0.0000 | |
| 430 | A | A | 0.0000 | |
| 431 | V | A | 0.0000 | |
| 432 | L | A | 0.0000 | |
| 433 | D | A | -0.4101 | |
| 434 | P | A | 0.0000 | |
| 435 | A | A | 0.2429 | |
| 436 | L | A | 0.0000 | |
| 437 | S | A | -1.0038 | |
| 438 | P | A | -1.7293 | |
| 439 | Q | A | -2.7227 | |
| 440 | R | A | -2.6860 | |
| 441 | R | A | 0.0000 | |
| 442 | R | A | -3.2881 | |
| 443 | E | A | -3.2046 | |
| 444 | L | A | 0.0000 | |
| 445 | C | A | -1.8266 | |
| 446 | T | A | -1.8336 | |
| 447 | Q | A | -1.6675 | |
| 448 | L | A | 0.0000 | |
| 449 | R | A | -1.2634 | |
| 450 | Q | A | -1.5517 | |
| 451 | W | A | 0.0000 | |
| 452 | Q | A | 0.0000 | |
| 453 | L | A | -0.6923 | |
| 454 | K | A | -1.6805 | |
| 455 | V | A | 0.0000 | |
| 456 | I | A | 0.0000 | |
| 457 | E | A | -3.0953 | |
| 458 | N | A | 0.0000 | |
| 459 | V | A | -3.0832 | |
| 460 | K | A | -4.5103 | |
| 461 | R | A | -3.9374 | |
| 462 | G | A | -3.2854 | |
| 463 | Q | A | -3.2835 | |
| 464 | H | A | -3.3956 | |
| 465 | K | A | -3.4814 | |
| 466 | K | A | -3.4060 | |
| 467 | T | A | -1.7462 | |
| 468 | L | A | -1.3270 | |
| 469 | E | A | -1.7965 | |
| 470 | R | A | -1.7786 | |
| 471 | L | A | -0.3597 | |
| 472 | F | A | 0.0000 | |
| 473 | P | A | -0.5957 | |
| 474 | G | A | 0.0000 | |
| 475 | F | A | 0.0000 | |
| 476 | R | A | -0.7172 | |
| 477 | P | A | -0.6469 | |
| 478 | A | A | 0.0000 | |
| 479 | V | A | 0.0000 | |
| 480 | E | A | -0.7701 | |
| 481 | A | A | 0.0000 | |
| 482 | C | A | 0.0000 | |
| 483 | Y | A | -0.1696 | |
| 484 | F | A | 0.0000 | |
| 485 | N | A | -1.5260 | |
| 486 | W | A | 0.0000 | |
| 487 | E | A | -2.7861 | |
| 488 | E | A | -2.9369 | |
| 489 | A | A | 0.0000 | |
| 490 | Y | A | -0.9324 | |
| 491 | P | A | -1.3569 | |
| 492 | L | A | 0.0000 | |
| 493 | P | A | -0.5748 | |
| 494 | G | A | -0.8118 | |
| 495 | V | A | 0.0637 | |
| 496 | T | A | -0.3738 | |
| 497 | Y | A | -0.4197 | |
| 498 | S | A | -0.9965 | |
| 499 | G | A | -1.0980 | |
| 500 | T | A | -1.3549 | |
| 501 | D | A | -1.8907 | |
| 502 | R | A | -2.5329 | |
| 503 | K | A | -2.0979 | |
| 504 | L | A | -0.2409 | |
| 505 | A | A | 0.3715 | |
| 506 | L | A | 1.3625 | |
| 507 | C | A | 1.4919 | |
| 508 | W | A | 1.2797 | |
| 509 | A | A | 0.1012 | |
| 510 | R | A | -1.2519 | |
| 511 | A | A | -0.2314 | |
| 512 | L | A | 0.6939 | |
| 513 | P | A | -0.4280 | |
| 514 | S | A | -0.9459 | |
| 515 | R | A | -2.0357 | |
| 516 | P | A | -1.4719 | |
| 517 | G | A | -1.0575 | |
| 518 | A | A | -0.7069 | |
| 519 | S | A | -1.2556 | |
| 520 | R | A | -2.1432 | |
| 521 | S | A | -1.5869 | |
| 522 | G | A | -0.8778 | |
| 523 | G | A | -0.4348 | |
| 524 | L | A | -0.1653 | |
| 525 | E | A | -1.9594 | |
| 526 | E | A | -2.8255 | |
| 527 | S | A | -2.7884 | |
| 528 | R | A | -3.6804 | |
| 529 | D | A | -3.7921 | |
| 530 | R | A | -3.5790 | |
| 531 | P | A | -2.4657 | |
| 532 | R | A | -2.1185 | |
| 533 | P | A | -0.6598 | |
| 534 | L | A | 0.8740 | |
| 535 | P | A | 0.1903 | |
| 536 | T | A | -0.7876 | |
| 537 | E | A | -2.0303 | |
| 538 | P | A | -0.9258 | |
| 539 | A | A | 0.0595 | |
| 540 | V | A | 0.7902 | |
| 541 | R | A | -1.4847 | |
| 542 | P | A | -2.0819 | |
| 543 | K | A | -3.1704 | |
| 544 | E | A | -2.9571 | |
| 545 | P | A | -1.9348 | |
| 546 | G | A | -1.4051 | |
| 547 | T | A | -1.7248 | |
| 548 | K | A | -3.1295 | |
| 549 | R | A | -3.7341 | |
| 550 | K | A | -2.9987 | |
| 551 | G | A | -1.0251 | |
| 552 | L | A | 0.2887 | |
| 553 | G | A | -0.6504 | |
| 554 | E | A | -1.5382 | |
| 555 | G | A | -0.5353 | |
| 556 | V | A | 0.9068 | |
| 557 | P | A | 0.4224 | |
| 558 | S | A | -0.3297 | |
| 559 | S | A | -1.2973 | |
| 560 | Q | A | -2.3262 | |
| 561 | R | A | -2.7413 | |
| 562 | G | A | -2.0586 | |
| 563 | P | A | -1.9401 | |
| 564 | R | A | -2.6263 | |
| 565 | R | A | -2.1162 | |
| 566 | L | A | -0.4523 | |
| 567 | S | A | -0.7082 | |
| 568 | A | A | -0.9887 | |
| 569 | E | A | -2.2560 | |
| 570 | G | A | -1.9626 | |
| 571 | G | A | -2.3612 | |
| 572 | D | A | -3.1456 | |
| 573 | K | A | -2.3382 | |
| 574 | A | A | -1.0576 | |
| 575 | L | A | 0.2624 | |
| 576 | H | A | -1.0194 | |
| 577 | K | A | -1.4205 | |
| 578 | M | A | -0.2373 | |
| 579 | G | A | -0.5410 | |
| 580 | P | A | -0.7825 | |
| 581 | G | A | -1.2494 | |
| 582 | G | A | -1.4182 | |
| 583 | G | A | -1.6165 | |
| 584 | K | A | -2.4042 | |
| 585 | A | A | -1.7183 | |
| 586 | K | A | -1.6653 | |
| 587 | A | A | -0.0643 | |
| 588 | L | A | 0.8824 | |
| 589 | G | A | -0.0010 | |
| 590 | G | A | -0.6502 | |
| 591 | A | A | -0.5867 | |
| 592 | G | A | -0.7790 | |
| 593 | S | A | -0.6953 | |
| 594 | G | A | -1.1659 | |
| 595 | S | A | -1.4285 | |
| 596 | K | A | -2.2166 | |
| 597 | G | A | -1.5553 | |
| 598 | S | A | -0.9602 | |
| 599 | A | A | -0.5122 | |
| 600 | G | A | -0.8019 | |
| 601 | G | A | -0.9926 | |
| 602 | G | A | -1.2662 | |
| 603 | S | A | -1.7157 | |
| 604 | K | A | -3.1769 | |
| 605 | R | A | -3.3488 | |
| 606 | R | A | -2.5555 | |
| 607 | L | A | -0.0779 | |
| 608 | S | A | -0.4973 | |
| 609 | S | A | -1.4023 | |
| 610 | E | A | -2.9842 | |
| 611 | D | A | -3.0061 | |
| 612 | S | A | -1.2540 | |
| 613 | S | A | -0.4055 | |
| 614 | L | A | 0.4641 | |
| 615 | E | A | -1.5158 | |
| 616 | P | A | -1.3943 | |
| 617 | D | A | -1.7359 | |
| 618 | L | A | 0.0512 | |
| 619 | A | A | -0.2519 | |
| 620 | E | A | -1.1290 | |
| 621 | M | A | 0.5480 | |
| 622 | S | A | 0.2074 | |
| 623 | L | A | 0.3449 | |
| 624 | D | A | -2.0386 | |
| 625 | D | A | -2.3784 | |
| 626 | S | A | -1.2461 | |
| 627 | S | A | -0.1704 | |
| 628 | L | A | 1.5356 | |
| 629 | A | A | 1.4467 | |
| 630 | L | A | 1.4442 | |
| 631 | G | A | -0.0264 | |
| 632 | A | A | -0.6853 | |
| 633 | E | A | -1.7936 | |
| 634 | A | A | -0.8737 | |
| 635 | S | A | -0.4255 | |
| 636 | T | A | 0.3598 | |
| 637 | F | A | 1.5305 | |
| 638 | G | A | 0.5947 | |
| 639 | G | A | 0.3776 | |
| 640 | F | A | 1.0537 | |
| 641 | P | A | -0.3631 | |
| 642 | E | A | -1.7399 | |
| 643 | S | A | -1.1461 | |
| 644 | P | A | -0.9618 | |
| 645 | P | A | -0.6190 | |
| 646 | P | A | -0.1819 | |
| 647 | C | A | 0.7355 | |
| 648 | P | A | 0.5664 | |
| 649 | L | A | 0.9039 | |
| 650 | H | A | -0.4961 | |
| 651 | G | A | -0.8501 | |
| 652 | G | A | -1.3429 | |
| 653 | S | A | -1.5138 | |
| 654 | R | A | -2.3133 | |
| 655 | G | A | -1.5674 | |
| 656 | P | A | -0.9732 | |
| 657 | S | A | -0.0365 | |
| 658 | T | A | 0.9650 | |
| 659 | F | A | 2.5674 | |
| 660 | L | A | 1.9855 | |
| 661 | P | A | 0.1075 | |
| 662 | E | A | -1.8250 | |
| 663 | P | A | -1.7352 | |
| 664 | P | A | -1.6364 | |
| 665 | D | A | -1.7404 | |
| 666 | T | A | -0.7345 | |
| 667 | Y | A | -0.4294 | |
| 668 | E | A | -2.4237 | |
| 669 | E | A | -3.3868 | |
| 670 | D | A | -3.3728 | |
| 671 | G | A | -1.7270 | |
| 672 | G | A | 0.0399 | |
| 673 | V | A | 2.4611 | |
| 674 | Y | A | 2.9897 | |
| 675 | F | A | 2.4659 | |
| 676 | S | A | 0.0690 | |
| 677 | E | A | -1.8225 | |
| 678 | G | A | -1.9489 | |
| 679 | P | A | -1.8655 | |
| 680 | E | A | -2.2476 | |
| 681 | P | A | -1.3485 | |
| 682 | P | A | -0.9008 | |
| 683 | T | A | -0.4565 | |
| 684 | A | A | 0.2275 | |
| 685 | S | A | 0.5484 | |
| 686 | V | A | 1.4043 | |
| 687 | G | A | 0.1618 | |
| 688 | P | A | -0.3736 | |
| 689 | P | A | -0.3916 | |
| 690 | G | A | 0.4097 | |
| 691 | L | A | 1.9557 | |
| 692 | L | A | 1.9454 | |
| 693 | P | A | 0.3759 | |
| 694 | G | A | -0.7783 | |
| 695 | D | A | -1.0307 | |
| 696 | V | A | 1.1146 | |
| 697 | C | A | 0.9695 | |
| 698 | T | A | -0.3073 | |
| 699 | Q | A | -2.3687 | |
| 700 | D | A | -3.0814 | |
| 701 | D | A | -2.3846 | |
| 702 | L | A | 0.0961 | |
| 703 | P | A | 0.1252 | |
| 704 | S | A | -0.4642 | |
| 705 | T | A | -1.3920 | |
| 706 | D | A | -2.7790 | |
| 707 | E | A | -2.8762 | |
| 708 | S | A | -2.0629 | |
| 709 | G | A | -1.6458 | |
| 710 | N | A | -1.4644 | |
| 711 | G | A | -0.5161 | |
| 712 | L | A | 0.4899 | |
| 713 | P | A | -0.3175 | |
| 714 | K | A | -2.0937 | |
| 715 | T | A | -2.1117 | |
| 716 | K | A | -3.1518 | |
| 717 | E | A | -2.9315 | |
| 718 | A | A | -1.1873 | |
| 719 | A | A | -0.3810 | |
| 720 | P | A | 0.1667 | |
| 721 | A | A | 0.7179 | |
| 722 | V | A | 0.9570 | |
| 723 | G | A | -1.1239 | |
| 724 | E | A | -2.9056 | |
| 725 | E | A | -3.9898 | |
| 726 | D | A | -4.0616 | |
| 727 | D | A | -3.3217 | |
| 728 | D | A | -2.1341 | |
| 729 | Y | A | -0.0277 | |
| 730 | Q | A | -0.3078 | |
| 731 | A | A | 0.6050 | |
| 732 | Y | A | 2.0345 | |
| 733 | Y | A | 2.4340 | |
| 734 | L | A | 1.8542 | |
| 735 | N | A | -0.6173 | |
| 736 | A | A | -1.2244 | |
| 737 | Q | A | -2.4538 | |
| 738 | D | A | -2.7179 | |
| 739 | G | A | -1.6865 | |
| 740 | A | A | -1.2132 | |
| 741 | G | A | -1.3898 | |
| 742 | G | A | -2.2382 | |
| 743 | E | A | -3.4516 | |
| 744 | E | A | -4.0442 | |
| 745 | E | A | -3.9875 | |
| 746 | K | A | -3.2978 | |
| 747 | A | A | -2.1504 | |
| 748 | E | A | -2.4748 | |
| 749 | G | A | -1.5528 | |
| 750 | G | A | -1.3647 | |
| 751 | A | A | -0.9042 | |
| 752 | G | A | -1.9729 | |
| 753 | E | A | -3.4995 | |
| 754 | E | A | -3.7322 | |
| 755 | H | A | -3.2301 | |
| 756 | D | A | -2.9138 | |
| 757 | L | A | -1.5759 | |
| 758 | F | A | 0.0000 | |
| 759 | A | A | -0.9668 | |
| 760 | G | A | -0.9614 | |
| 761 | L | A | -0.8078 | |
| 762 | K | A | -2.4742 | |
| 763 | P | A | -1.7887 | |
| 764 | L | A | -1.9970 | |
| 765 | E | A | -2.9768 | |
| 766 | Q | A | -3.2778 | |
| 767 | E | A | -3.5042 | |
| 768 | S | A | -2.4052 | |
| 769 | R | A | -2.6812 | |
| 770 | M | A | -1.5327 | |
| 771 | E | A | -1.8682 | |
| 772 | V | A | 0.0000 | |
| 773 | L | A | -0.7468 | |
| 774 | F | A | 0.0000 | |
| 775 | A | A | 0.0000 | |
| 776 | C | A | 0.0000 | |
| 777 | A | A | 0.0000 | |
| 778 | E | A | -0.2906 | |
| 779 | A | A | 0.0000 | |
| 780 | L | A | 0.0000 | |
| 781 | H | A | -0.4089 | |
| 782 | A | A | 0.0000 | |
| 783 | H | A | 0.0000 | |
| 784 | G | A | -1.2612 | |
| 785 | Y | A | -0.5985 | |
| 786 | S | A | -0.8477 | |
| 787 | S | A | -0.8455 | |
| 788 | E | A | -0.9652 | |
| 789 | A | A | 0.0000 | |
| 790 | S | A | 0.0000 | |
| 791 | R | A | -1.8481 | |
| 792 | L | A | 0.0000 | |
| 793 | T | A | 0.0000 | |
| 794 | V | A | -1.3191 | |
| 795 | E | A | -2.5066 | |
| 796 | L | A | 0.0000 | |
| 797 | A | A | 0.0000 | |
| 798 | Q | A | -2.2955 | |
| 799 | D | A | -2.0671 | |
| 800 | L | A | 0.0000 | |
| 801 | L | A | -0.9487 | |
| 802 | A | A | -1.0617 | |
| 803 | N | A | -1.9051 | |
| 804 | P | A | -1.2483 | |
| 805 | P | A | -1.4848 | |
| 806 | D | A | -2.5601 | |
| 807 | L | A | 0.0000 | |
| 808 | K | A | -2.7474 | |
| 809 | V | A | -1.3534 | |
| 810 | E | A | -2.0289 | |
| 811 | P | A | -1.1476 | |
| 812 | P | A | -1.6743 | |
| 813 | P | A | -1.2556 | |
| 814 | A | A | -1.3110 | |
| 815 | K | A | -2.5297 | |
| 816 | G | A | -2.8127 | |
| 817 | K | A | -3.6412 | |
| 818 | K | A | -3.6852 | |
| 819 | N | A | -3.1091 | |
| 820 | K | A | -2.2476 | |
| 821 | V | A | -0.0976 | |
| 822 | S | A | -0.3841 | |
| 823 | T | A | -0.5303 | |
| 824 | S | A | -0.4631 | |
| 825 | R | A | -1.3909 | |
| 826 | Q | A | -1.0274 | |
| 827 | T | A | 0.0000 | |
| 828 | W | A | 0.7308 | |
| 829 | V | A | 0.3930 | |
| 830 | A | A | 0.0000 | |
| 831 | T | A | -0.0379 | |
| 832 | N | A | -0.2777 | |
| 833 | T | A | 0.0000 | |
| 834 | L | A | 0.0000 | |
| 835 | S | A | -0.4491 | |
| 836 | K | A | -0.4687 | |
| 837 | A | A | 0.0000 | |
| 838 | A | A | -0.1638 | |
| 839 | F | A | 0.1825 | |
| 840 | L | A | 0.0000 | |
| 841 | L | A | 0.0000 | |
| 842 | T | A | -0.3523 | |
| 843 | V | A | 0.0000 | |
| 844 | L | A | 0.0000 | |
| 845 | S | A | -1.7510 | |
| 846 | E | A | -2.4876 | |
| 847 | R | A | -2.3046 | |
| 848 | P | A | -2.0041 | |
| 849 | E | A | -2.5308 | |
| 850 | H | A | -1.7827 | |
| 851 | H | A | -1.6660 | |
| 852 | N | A | -1.3540 | |
| 853 | L | A | -1.0643 | |
| 854 | A | A | 0.0000 | |
| 855 | F | A | 0.0000 | |
| 856 | R | A | -1.9043 | |
| 857 | V | A | 0.0000 | |
| 858 | G | A | 0.0000 | |
| 859 | M | A | 0.0000 | |
| 860 | F | A | -0.4033 | |
| 861 | A | A | 0.0000 | |
| 862 | L | A | 0.0000 | |
| 863 | E | A | -0.3962 | |
| 864 | L | A | -0.7105 | |
| 865 | Q | A | -1.7229 | |
| 866 | R | A | 0.0000 | |
| 867 | P | A | 0.0000 | |
| 868 | P | A | 0.0000 | |
| 869 | A | A | 0.0000 | |
| 870 | S | A | -0.3655 | |
| 871 | T | A | -0.6898 | |
| 872 | K | A | -1.1036 | |
| 873 | A | A | -0.4970 | |
| 874 | L | A | -0.0861 | |
| 875 | E | A | 0.0000 | |
| 876 | V | A | 0.0000 | |
| 877 | K | A | -0.4512 | |
| 878 | L | A | 0.0000 | |
| 879 | A | A | -0.2963 | |
| 880 | Y | A | -0.4357 | |
| 881 | Q | A | -0.5718 | |
| 882 | E | A | -0.5863 | |
| 883 | S | A | -0.5617 | |
| 884 | E | A | -0.9499 | |
| 885 | V | A | 0.0000 | |
| 886 | A | A | 0.0000 | |
| 887 | A | A | -0.9518 | |
| 888 | L | A | -0.7498 | |
| 889 | L | A | 0.0000 | |
| 890 | K | A | -2.3313 | |
| 891 | K | A | -2.3097 | |
| 892 | I | A | 0.0000 | |
| 893 | P | A | -1.1943 | |
| 894 | L | A | 0.0000 | |
| 895 | G | A | -0.7680 | |
| 896 | P | A | -0.9602 | |
| 897 | S | A | -0.4818 | |
| 898 | E | A | 0.0000 | |
| 899 | M | A | 0.0000 | |
| 900 | S | A | -0.4008 | |
| 901 | T | A | -0.5563 | |
| 902 | M | A | 0.0000 | |
| 903 | R | A | -0.5759 | |
| 904 | C | A | -0.3698 | |
| 905 | R | A | -1.0266 | |
| 906 | A | A | 0.0000 | |
| 907 | E | A | -2.0294 | |
| 908 | E | A | -1.7507 | |
| 909 | L | A | 0.0000 | |
| 910 | R | A | -2.3135 | |
| 911 | E | A | -2.7811 | |
| 912 | G | A | -1.8474 | |
| 913 | T | A | -1.4558 | |
| 914 | L | A | -0.8986 | |
| 915 | C | A | -0.8469 | |
| 916 | D | A | -1.1966 | |
| 917 | Y | A | 0.2636 | |
| 918 | R | A | -0.3702 | |
| 919 | P | A | -0.2244 | |
| 920 | V | A | -0.0088 | |
| 921 | L | A | -0.0664 | |
| 922 | P | A | 0.0000 | |
| 923 | L | A | 0.0000 | |
| 924 | M | A | -0.2278 | |
| 925 | L | A | 0.0000 | |
| 926 | A | A | 0.0000 | |
| 927 | S | A | -0.4555 | |
| 928 | F | A | 0.0000 | |
| 929 | I | A | 0.0000 | |
| 930 | F | A | 0.0000 | |
| 931 | D | A | -1.0895 | |
| 932 | V | A | -0.7107 | |
| 933 | L | A | 0.0000 | |
| 934 | C | A | 0.0000 | |
| 935 | A | A | -0.8805 | |
| 936 | P | A | -1.0152 | |
| 937 | G | A | -1.2736 | |
| 938 | S | A | -1.4465 | |
| 939 | R | A | -1.8566 | |
| 940 | P | A | -1.8633 | |
| 941 | P | A | -1.4684 | |
| 942 | S | A | -1.1684 | |
| 943 | R | A | -1.1710 | |
| 944 | N | A | -1.5064 | |
| 945 | W | A | -0.4496 | |
| 946 | N | A | -1.5178 | |
| 947 | S | A | -1.3425 | |
| 948 | E | A | -1.7711 | |
| 949 | T | A | -1.0934 | |
| 950 | P | A | -1.1462 | |
| 951 | G | A | -1.5141 | |
| 952 | D | A | 0.0000 | |
| 953 | E | A | -2.4953 | |
| 954 | E | A | -2.6833 | |
| 955 | L | A | -1.8122 | |
| 956 | G | A | 0.0000 | |
| 957 | F | A | 0.0000 | |
| 958 | E | A | -2.1748 | |
| 959 | A | A | 0.0000 | |
| 960 | A | A | 0.0000 | |
| 961 | V | A | 0.0000 | |
| 962 | A | A | -1.0313 | |
| 963 | A | A | 0.0000 | |
| 964 | L | A | 0.0000 | |
| 965 | G | A | -0.7504 | |
| 966 | M | A | -0.6078 | |
| 967 | K | A | -1.4190 | |
| 968 | T | A | 0.0000 | |
| 969 | T | A | -0.1342 | |
| 970 | V | A | -0.2382 | |
| 971 | S | A | 0.0000 | |
| 972 | E | A | 0.0000 | |
| 973 | A | A | -1.0825 | |
| 974 | E | A | -1.3283 | |
| 975 | H | A | -1.0618 | |
| 976 | P | A | -0.6954 | |
| 977 | L | A | 0.0000 | |
| 978 | L | A | 0.0000 | |
| 979 | C | A | 0.0000 | |
| 980 | E | A | 0.0000 | |
| 981 | G | A | 0.0000 | |
| 982 | T | A | -0.5465 | |
| 983 | R | A | -0.8501 | |
| 984 | R | A | -1.3697 | |
| 985 | E | A | -1.4535 | |
| 986 | K | A | -1.1958 | |
| 987 | G | A | 0.0000 | |
| 988 | D | A | -2.1080 | |
| 989 | L | A | 0.0000 | |
| 990 | A | A | 0.0000 | |
| 991 | L | A | -0.5387 | |
| 992 | A | A | -0.3503 | |
| 993 | L | A | 0.0000 | |
| 994 | M | A | 0.0000 | |
| 995 | I | A | 0.0045 | |
| 996 | T | A | -0.3714 | |
| 997 | Y | A | 0.0000 | |
| 998 | K | A | -1.9141 | |
| 999 | D | A | -2.8209 | |
| 1000 | D | A | -2.5321 | |
| 1001 | Q | A | -2.6878 | |
| 1002 | A | A | -1.8655 | |
| 1003 | K | A | -2.0825 | |
| 1004 | L | A | 0.0000 | |
| 1005 | K | A | -2.4125 | |
| 1006 | K | A | -2.0456 | |
| 1007 | I | A | 0.0000 | |
| 1008 | L | A | 0.0000 | |
| 1009 | D | A | -1.9371 | |
| 1010 | K | A | -1.7867 | |
| 1011 | L | A | 0.0000 | |
| 1012 | L | A | 0.0000 | |
| 1013 | D | A | -2.1379 | |
| 1014 | R | A | -2.2823 | |
| 1015 | E | A | -2.8142 | |
| 1016 | S | A | -2.2474 | |
| 1017 | Q | A | -2.5218 | |
| 1018 | T | A | -2.2554 | |
| 1019 | H | A | -2.3330 | |
| 1020 | K | A | -2.6316 | |
| 1021 | P | A | -1.5969 | |
| 1022 | Q | A | -1.4716 | |
| 1023 | T | A | 0.0188 | |
| 1024 | L | A | 1.8196 | |
| 1025 | S | A | 1.2923 | |
| 1026 | S | A | 1.2568 | |
| 1027 | F | A | 2.7587 | |
| 1028 | Y | A | 2.2842 | |
| 1029 | S | A | 0.6355 | |
| 1030 | S | A | -0.1831 | |
| 1031 | S | A | -1.1413 | |
| 1032 | R | A | -2.1603 | |
| 1033 | P | A | -1.2277 | |
| 1034 | T | A | -0.5832 | |
| 1035 | T | A | -0.3026 | |
| 1036 | A | A | -0.3654 | |
| 1037 | S | A | -1.1639 | |
| 1038 | Q | A | -2.4281 | |
| 1039 | R | A | -2.7330 | |
| 1040 | S | A | -1.7351 | |
| 1041 | P | A | -1.3714 | |
| 1042 | S | A | -1.4207 | |
| 1043 | K | A | -2.5231 | |
| 1044 | H | A | -2.1949 | |
| 1045 | G | A | -1.6055 | |
| 1046 | G | A | -1.3026 | |
| 1047 | P | A | -0.6786 | |
| 1048 | S | A | -0.5074 | |
| 1049 | A | A | -0.3461 | |
| 1050 | P | A | -0.4784 | |
| 1051 | G | A | -0.3763 | |
| 1052 | A | A | 0.2496 | |
| 1053 | L | A | 0.9162 | |
| 1054 | Q | A | -0.2088 | |
| 1055 | P | A | 0.1821 | |
| 1056 | L | A | 1.2543 | |
| 1057 | T | A | 0.5081 | |
| 1058 | S | A | -0.1792 | |
| 1059 | G | A | -0.7434 | |
| 1060 | S | A | -0.6343 | |
| 1061 | A | A | -0.5168 | |
| 1062 | G | A | -0.8028 | |
| 1063 | P | A | -0.7899 | |
| 1064 | A | A | -0.8338 | |
| 1065 | Q | A | -1.5197 | |
| 1066 | P | A | -1.2200 | |
| 1067 | G | A | -0.5922 | |
| 1068 | S | A | 0.3042 | |
| 1069 | V | A | 1.5078 | |
| 1070 | A | A | 0.6087 | |
| 1071 | G | A | -0.1466 | |
| 1072 | A | A | -0.4664 | |
| 1073 | G | A | -0.7340 | |
| 1074 | P | A | -0.7288 | |
| 1075 | G | A | -0.8008 | |
| 1076 | P | A | -0.8860 | |
| 1077 | T | A | -1.2335 | |
| 1078 | E | A | -1.7520 | |
| 1079 | G | A | -0.4435 | |
| 1080 | F | A | 0.9547 | |
| 1081 | T | A | -0.3048 | |
| 1082 | E | A | -2.5174 | |
| 1083 | K | A | -2.8570 | |
| 1084 | N | A | -1.5833 | |
| 1085 | V | A | 0.1647 | |
| 1086 | P | A | -0.5179 | |
| 1087 | E | A | -1.6655 | |
| 1088 | S | A | -1.1538 | |
| 1089 | S | A | -1.0409 | |
| 1090 | P | A | -0.9338 | |
| 1091 | H | A | -1.3137 | |
| 1092 | S | A | -0.9035 | |
| 1093 | P | A | -0.6168 | |
| 1094 | C | A | -0.5421 | |
| 1095 | E | A | -1.4071 | |
| 1096 | G | A | -0.4934 | |
| 1097 | L | A | 0.5414 | |
| 1098 | P | A | -0.0697 | |
| 1099 | S | A | -0.9286 | |
| 1100 | E | A | -1.7563 | |
| 1101 | A | A | -0.5277 | |
| 1102 | A | A | 0.4004 | |
| 1103 | L | A | 1.4996 | |
| 1104 | T | A | 0.1517 | |
| 1105 | P | A | -0.8928 | |
| 1106 | R | A | -2.4571 | |
| 1107 | P | A | -2.1746 | |
| 1108 | E | A | -2.6958 | |
| 1109 | G | A | -1.8732 | |
| 1110 | K | A | -1.5512 | |
| 1111 | V | A | 0.2685 | |
| 1112 | P | A | -0.3864 | |
| 1113 | S | A | -0.9600 | |
| 1114 | R | A | -1.4290 | |
| 1115 | L | A | -0.4645 | |
| 1116 | A | A | -0.0060 | |
| 1117 | L | A | 0.3377 | |
| 1118 | G | A | -0.6607 | |
| 1119 | S | A | -1.1001 | |
| 1120 | R | A | -2.0822 | |
| 1121 | G | A | -1.5634 | |
| 1122 | G | A | -0.8851 | |
| 1123 | Y | A | -0.2817 | |
| 1124 | N | A | -1.5228 | |
| 1125 | G | A | -1.8185 | |
| 1126 | R | A | -2.1908 | |
| 1127 | G | A | -1.3884 | |
| 1128 | W | A | 0.0089 | |
| 1129 | G | A | -0.8210 | |
| 1130 | S | A | -0.8644 | |
| 1131 | P | A | -1.0967 | |
| 1132 | G | A | -1.8433 | |
| 1133 | R | A | -2.9500 | |
| 1134 | P | A | -2.7053 | |
| 1135 | K | A | -3.5672 | |
| 1136 | K | A | -3.8679 | |
| 1137 | K | A | -3.4513 | |
| 1138 | H | A | -2.3649 | |
| 1139 | T | A | -0.9350 | |
| 1140 | G | A | -0.2257 | |
| 1141 | M | A | 1.0206 | |
| 1142 | A | A | 0.6953 | |
| 1143 | S | A | 0.5363 | |
| 1144 | I | A | 1.0919 | |
| 1145 | D | A | -1.0015 | |
| 1146 | S | A | -0.7209 | |
| 1147 | S | A | -0.5374 | |
| 1148 | A | A | -0.6787 | |
| 1149 | P | A | -1.0164 | |
| 1150 | E | A | -2.0017 | |
| 1151 | T | A | -0.9246 | |
| 1152 | T | A | -0.5223 | |
| 1153 | S | A | -0.4699 | |
| 1154 | D | A | -1.6480 | |
| 1155 | S | A | -1.4156 | |
| 1156 | S | A | -0.8680 | |
| 1157 | P | A | -0.1586 | |
| 1158 | T | A | 0.4988 | |
| 1159 | L | A | 0.9854 | |
| 1160 | S | A | -0.8094 | |
| 1161 | R | A | -2.5641 | |
| 1162 | R | A | -2.5818 | |
| 1163 | P | A | -1.2930 | |
| 1164 | L | A | -0.0444 | |
| 1165 | R | A | -1.3660 | |
| 1166 | G | A | -1.0079 | |
| 1167 | G | A | -0.4508 | |
| 1168 | W | A | 0.8138 | |
| 1169 | A | A | 0.3881 | |
| 1170 | P | A | -0.0762 | |
| 1171 | T | A | -0.0342 | |
| 1172 | S | A | 0.2368 | |
| 1173 | W | A | 0.3878 | |
| 1174 | G | A | -0.9623 | |
| 1175 | R | A | -2.6281 | |
| 1176 | G | A | -2.5901 | |
| 1177 | Q | A | -3.0237 | |
| 1178 | D | A | -3.3513 | |
| 1179 | S | A | -2.2904 | |
| 1180 | D | A | -2.1032 | |
| 1181 | S | A | -0.2754 | |
| 1182 | I | A | 1.2803 | |
| 1183 | S | A | 0.5778 | |
| 1184 | S | A | -0.0409 | |
| 1185 | S | A | -0.5170 | |
| 1186 | S | A | -0.8861 | |
| 1187 | S | A | -1.3543 | |
| 1188 | D | A | -1.7711 | |
| 1189 | S | A | -0.4874 | |
| 1190 | L | A | 0.7888 | |
| 1191 | G | A | 0.2349 | |
| 1192 | S | A | -0.2653 | |
| 1193 | S | A | -0.5706 | |
| 1194 | S | A | -0.5108 | |
| 1195 | S | A | -0.5682 | |
| 1196 | S | A | -0.6435 | |
| 1197 | G | A | -1.3793 | |
| 1198 | S | A | -1.8398 | |
| 1199 | R | A | -3.0451 | |
| 1200 | R | A | -2.9832 | |
| 1201 | A | A | -1.3504 | |
| 1202 | S | A | -0.7855 | |
| 1203 | A | A | -0.2445 | |
| 1204 | S | A | -0.5593 | |
| 1205 | G | A | -0.7692 | |
| 1206 | G | A | -1.0979 | |
| 1207 | A | A | -1.2000 | |
| 1208 | R | A | -2.2487 | |
| 1209 | A | A | -1.7353 | |
| 1210 | K | A | -1.7205 | |
| 1211 | T | A | -0.4209 | |
| 1212 | V | A | 0.8671 | |
| 1213 | E | A | -0.2064 | |
| 1214 | V | A | 0.6432 | |
| 1215 | G | A | -0.5719 | |
| 1216 | R | A | -1.5320 | |
| 1217 | Y | A | -0.8641 | |
| 1218 | K | A | -2.3684 | |
| 1219 | G | A | -2.5786 | |
| 1220 | R | A | -3.5041 | |
| 1221 | R | A | -3.8072 | |
| 1222 | P | A | -2.7542 | |
| 1223 | E | A | -3.1684 | |
| 1224 | S | A | -1.9138 | |
| 1225 | H | A | -1.9718 | |
| 1226 | A | A | -1.4068 | |
| 1227 | P | A | -0.9796 | |
| 1228 | H | A | -0.8097 | |
| 1229 | V | A | 0.6178 | |
| 1230 | P | A | -0.5768 | |
| 1231 | N | A | -1.5843 | |
| 1232 | Q | A | -0.8665 | |
| 1233 | P | A | -0.7492 | |
| 1234 | S | A | 0.0000 | |
| 1235 | E | A | -1.9732 | |
| 1236 | A | A | -1.1447 | |
| 1237 | A | A | -0.7516 | |
| 1238 | A | A | 0.0000 | |
| 1239 | H | A | -0.9709 | |
| 1240 | F | A | -0.6698 | |
| 1241 | Y | A | -0.2378 | |
| 1242 | F | A | -0.4972 | |
| 1243 | E | A | -1.3416 | |
| 1244 | L | A | 0.0000 | |
| 1245 | A | A | 0.0000 | |
| 1246 | K | A | -0.8491 | |
| 1247 | T | A | -0.3739 | |
| 1248 | V | A | 0.0000 | |
| 1249 | L | A | 0.0000 | |
| 1250 | I | A | 0.0931 | |
| 1251 | K | A | -0.8447 | |
| 1252 | A | A | 0.0000 | |
| 1253 | G | A | -1.3328 | |
| 1254 | G | A | -1.2435 | |
| 1255 | N | A | -1.3944 | |
| 1256 | S | A | -0.7124 | |
| 1257 | S | A | -0.3447 | |
| 1258 | T | A | 0.2397 | |
| 1259 | S | A | 1.2252 | |
| 1260 | I | A | 2.6140 | |
| 1261 | F | A | 2.5030 | |
| 1262 | T | A | 0.7774 | |
| 1263 | H | A | -0.4181 | |
| 1264 | P | A | -0.6523 | |
| 1265 | S | A | -0.8565 | |
| 1266 | S | A | -0.8186 | |
| 1267 | S | A | -0.8717 | |
| 1268 | G | A | -1.2721 | |
| 1269 | G | A | -1.4909 | |
| 1270 | H | A | -2.1389 | |
| 1271 | Q | A | -2.2193 | |
| 1272 | G | A | -1.7030 | |
| 1273 | P | A | -1.6327 | |
| 1274 | H | A | -1.6585 | |
| 1275 | R | A | -1.6185 | |
| 1276 | N | A | -1.5216 | |
| 1277 | L | A | 0.0000 | |
| 1278 | H | A | 0.0000 | |
| 1279 | L | A | -0.1231 | |
| 1280 | C | A | 0.0000 | |
| 1281 | A | A | 0.0000 | |
| 1282 | F | A | 0.0000 | |
| 1283 | E | A | -0.1110 | |
| 1284 | I | A | 0.0000 | |
| 1285 | G | A | 0.0000 | |
| 1286 | L | A | 0.0000 | |
| 1287 | Y | A | -0.0446 | |
| 1288 | A | A | 0.0000 | |
| 1289 | L | A | 0.0000 | |
| 1290 | G | A | -0.1323 | |
| 1291 | L | A | 0.0000 | |
| 1292 | H | A | -0.3307 | |
| 1293 | N | A | 0.0000 | |
| 1294 | F | A | -0.0079 | |
| 1295 | V | A | -0.3006 | |
| 1296 | S | A | -0.3987 | |
| 1297 | P | A | -0.4276 | |
| 1298 | N | A | -0.8572 | |
| 1299 | W | A | 0.1494 | |
| 1300 | L | A | 0.9430 | |
| 1301 | S | A | -0.0069 | |
| 1302 | R | A | 0.0164 | |
| 1303 | T | A | 0.5434 | |
| 1304 | Y | A | 1.0629 | |
| 1305 | S | A | 0.3656 | |
| 1306 | S | A | -0.0269 | |
| 1307 | H | A | -0.0976 | |
| 1308 | V | A | 0.0483 | |
| 1309 | S | A | -0.1108 | |
| 1310 | W | A | 0.0000 | |
| 1311 | I | A | 0.0000 | |
| 1312 | T | A | 0.0000 | |
| 1313 | G | A | -0.6297 | |
| 1314 | Q | A | 0.0000 | |
| 1315 | A | A | 0.0000 | |
| 1316 | M | A | -0.7739 | |
| 1317 | E | A | -1.7341 | |
| 1318 | I | A | 0.0000 | |
| 1319 | G | A | 0.0000 | |
| 1320 | S | A | -0.8120 | |
| 1321 | A | A | -0.0416 | |
| 1322 | A | A | 0.0000 | |
| 1323 | L | A | 0.0000 | |
| 1324 | T | A | -0.5347 | |
| 1325 | I | A | -0.1201 | |
| 1326 | L | A | 0.0000 | |
| 1327 | V | A | -0.9669 | |
| 1328 | E | A | -1.5365 | |
| 1329 | C | A | -1.0405 | |
| 1330 | W | A | 0.0000 | |
| 1331 | D | A | -2.1890 | |
| 1332 | G | A | -0.9444 | |
| 1333 | H | A | -0.4994 | |
| 1334 | L | A | 0.0000 | |
| 1335 | T | A | 0.0000 | |
| 1336 | P | A | 0.0000 | |
| 1337 | P | A | -0.4782 | |
| 1338 | E | A | -0.4239 | |
| 1339 | V | A | 0.0000 | |
| 1340 | A | A | 0.0000 | |
| 1341 | S | A | -0.8531 | |
| 1342 | L | A | 0.0000 | |
| 1343 | A | A | 0.0000 | |
| 1344 | D | A | -1.6441 | |
| 1345 | R | A | -1.6561 | |
| 1346 | A | A | 0.0000 | |
| 1347 | S | A | -2.1630 | |
| 1348 | R | A | -2.6918 | |
| 1349 | A | A | -2.2421 | |
| 1350 | R | A | -2.6984 | |
| 1351 | D | A | -2.3060 | |
| 1352 | S | A | -2.0258 | |
| 1353 | N | A | -2.1597 | |
| 1354 | M | A | 0.0000 | |
| 1355 | V | A | -2.2768 | |
| 1356 | R | A | -2.4239 | |
| 1357 | A | A | 0.0000 | |
| 1358 | A | A | 0.0000 | |
| 1359 | A | A | 0.0000 | |
| 1360 | E | A | -1.4113 | |
| 1361 | L | A | 0.0000 | |
| 1362 | A | A | 0.0000 | |
| 1363 | L | A | -0.4370 | |
| 1364 | S | A | -0.8327 | |
| 1365 | C | A | 0.0000 | |
| 1366 | L | A | 0.0000 | |
| 1367 | P | A | -0.6070 | |
| 1368 | H | A | -0.6590 | |
| 1369 | A | A | 0.0000 | |
| 1370 | H | A | -0.4188 | |
| 1371 | A | A | -0.3134 | |
| 1372 | L | A | 0.0000 | |
| 1373 | N | A | -1.3623 | |
| 1374 | P | A | -1.8208 | |
| 1375 | N | A | -2.3128 | |
| 1376 | E | A | -1.9810 | |
| 1377 | I | A | 0.0000 | |
| 1378 | Q | A | -1.8861 | |
| 1379 | R | A | -2.2754 | |
| 1380 | A | A | 0.0000 | |
| 1381 | L | A | 0.0000 | |
| 1382 | V | A | -1.0481 | |
| 1383 | Q | A | 0.0000 | |
| 1384 | C | A | 0.0000 | |
| 1385 | K | A | -1.7020 | |
| 1386 | E | A | -2.5193 | |
| 1387 | Q | A | -1.9565 | |
| 1388 | D | A | -1.4795 | |
| 1389 | N | A | -1.0191 | |
| 1390 | L | A | 0.5549 | |
| 1391 | M | A | 0.0000 | |
| 1392 | L | A | 0.0000 | |
| 1393 | E | A | -0.4390 | |
| 1394 | K | A | -0.6787 | |
| 1395 | A | A | 0.0000 | |
| 1396 | C | A | 0.0000 | |
| 1397 | M | A | -0.5981 | |
| 1398 | A | A | -0.8338 | |
| 1399 | V | A | 0.0000 | |
| 1400 | E | A | -1.5326 | |
| 1401 | E | A | -2.4553 | |
| 1402 | A | A | -1.6384 | |
| 1403 | A | A | 0.0000 | |
| 1404 | K | A | -2.7097 | |
| 1405 | G | A | -1.8138 | |
| 1406 | G | A | 0.0000 | |
| 1407 | G | A | -0.9601 | |
| 1408 | V | A | 0.0000 | |
| 1409 | Y | A | -0.5683 | |
| 1410 | P | A | -1.2252 | |
| 1411 | E | A | -1.9041 | |
| 1412 | V | A | 0.0000 | |
| 1413 | L | A | 0.0000 | |
| 1414 | F | A | 0.0000 | |
| 1415 | E | A | -1.2669 | |
| 1416 | V | A | 0.0000 | |
| 1417 | A | A | 0.0000 | |
| 1418 | H | A | -0.3911 | |
| 1419 | Q | A | -0.4801 | |
| 1420 | W | A | 0.0000 | |
| 1421 | F | A | -0.4104 | |
| 1422 | W | A | -0.5352 | |
| 1423 | L | A | 0.0000 | |
| 1424 | Y | A | -1.1721 | |
| 1425 | E | A | -2.2830 | |
| 1426 | Q | A | -2.1288 | |
| 1427 | T | A | -1.3344 | |
| 1428 | A | A | -1.1849 | |
| 1429 | G | A | -1.6710 | |
| 1430 | G | A | -1.3370 | |
| 1431 | S | A | -0.6770 | |
| 1432 | S | A | -0.5093 | |
| 1433 | T | A | -0.7120 | |
| 1434 | A | A | -1.3843 | |
| 1435 | R | A | -2.8281 | |
| 1436 | E | A | -2.9666 | |
| 1437 | G | A | -2.0407 | |
| 1438 | A | A | -0.7680 | |
| 1439 | T | A | -0.2993 | |
| 1440 | S | A | 0.0637 | |
| 1441 | C | A | 0.5045 | |
| 1442 | S | A | 0.1082 | |
| 1443 | A | A | 0.1026 | |
| 1444 | S | A | -0.0281 | |
| 1445 | G | A | 0.0288 | |
| 1446 | I | A | 0.8840 | |
| 1447 | R | A | -1.0419 | |
| 1448 | A | A | -0.8487 | |
| 1449 | G | A | -1.4227 | |
| 1450 | G | A | -1.5399 | |
| 1451 | E | A | -2.2050 | |
| 1452 | A | A | -1.5421 | |
| 1453 | G | A | -1.7580 | |
| 1454 | R | A | -2.0555 | |
| 1455 | G | A | -1.0001 | |
| 1456 | M | A | -0.1429 | |
| 1457 | P | A | -0.7320 | |
| 1458 | E | A | -2.3825 | |
| 1459 | G | A | -2.4360 | |
| 1460 | R | A | -2.7858 | |
| 1461 | G | A | -1.7644 | |
| 1462 | G | A | -1.3211 | |
| 1463 | P | A | -0.8740 | |
| 1464 | G | A | -1.1267 | |
| 1465 | T | A | -1.0679 | |
| 1466 | E | A | -1.5397 | |
| 1467 | P | A | -0.1468 | |
| 1468 | V | A | 1.4882 | |
| 1469 | T | A | 1.3575 | |
| 1470 | V | A | 2.1883 | |
| 1471 | A | A | 1.1417 | |
| 1472 | A | A | 0.8045 | |
| 1473 | A | A | 0.7372 | |
| 1474 | A | A | 0.9491 | |
| 1475 | V | A | 1.8115 | |
| 1476 | T | A | 0.8628 | |
| 1477 | A | A | 0.5929 | |
| 1478 | A | A | 0.2992 | |
| 1479 | A | A | 0.4070 | |
| 1480 | T | A | 0.9524 | |
| 1481 | V | A | 2.5603 | |
| 1482 | V | A | 2.7951 | |
| 1483 | P | A | 2.1939 | |
| 1484 | V | A | 3.1708 | |
| 1485 | I | A | 3.0721 | |
| 1486 | S | A | 1.9532 | |
| 1487 | V | A | 1.8049 | |
| 1488 | G | A | 0.1950 | |
| 1489 | S | A | 0.1782 | |
| 1490 | S | A | 0.6402 | |
| 1491 | L | A | 1.9235 | |
| 1492 | Y | A | 1.7481 | |
| 1493 | P | A | 0.3751 | |
| 1494 | G | A | -0.3247 | |
| 1495 | P | A | -0.2711 | |
| 1496 | G | A | -0.0065 | |
| 1497 | L | A | 0.8016 | |
| 1498 | G | A | -0.4100 | |
| 1499 | H | A | -1.3234 | |
| 1500 | G | A | -1.5906 | |
| 1501 | H | A | -1.6005 | |
| 1502 | S | A | -1.0439 | |
| 1503 | P | A | -0.5704 | |
| 1504 | G | A | -0.1034 | |
| 1505 | L | A | 0.7493 | |
| 1506 | H | A | -0.1988 | |
| 1507 | P | A | 0.1767 | |
| 1508 | Y | A | 0.9356 | |
| 1509 | T | A | 0.6724 | |
| 1510 | A | A | 0.7059 | |
| 1511 | L | A | 0.8588 | |
| 1512 | Q | A | -0.5622 | |
| 1513 | P | A | -0.6869 | |
| 1514 | H | A | -0.5617 | |
| 1515 | L | A | 0.8394 | |
| 1516 | P | A | 0.5638 | |
| 1517 | C | A | 0.6126 | |
| 1518 | S | A | -0.2487 | |
| 1519 | P | A | -0.5273 | |
| 1520 | Q | A | -0.3441 | |
| 1521 | Y | A | 1.3176 | |
| 1522 | L | A | 1.6467 | |
| 1523 | T | A | 0.4304 | |
| 1524 | H | A | -0.5989 | |
| 1525 | P | A | -0.8027 | |
| 1526 | A | A | -0.8871 | |
| 1527 | H | A | -1.2237 | |
| 1528 | P | A | -0.9539 | |
| 1529 | A | A | -0.7932 | |
| 1530 | H | A | -1.0340 | |
| 1531 | P | A | -0.2903 | |
| 1532 | M | A | 0.3747 | |
| 1533 | P | A | -0.0784 | |
| 1534 | H | A | -0.3561 | |
| 1535 | M | A | -0.0254 | |
| 1536 | P | A | -0.8992 | |
| 1537 | R | A | -1.8816 | |
| 1538 | P | A | -0.8454 | |
| 1539 | A | A | 0.9181 | |
| 1540 | V | A | 2.6354 | |
| 1541 | F | A | 3.0216 | |
| 1542 | P | A | 1.9574 | |
| 1543 | V | A | 1.8608 | |
| 1544 | P | A | 0.4978 | |
| 1545 | S | A | -0.0723 | |
| 1546 | S | A | -0.0438 | |
| 1547 | A | A | 0.4810 | |
| 1548 | Y | A | 0.8657 | |
| 1549 | P | A | -0.2750 | |
| 1550 | Q | A | -0.8844 | |
| 1551 | G | A | -0.3535 | |
| 1552 | V | A | 0.7593 | |
| 1553 | H | A | -0.3593 | |
| 1554 | P | A | 0.2837 | |
| 1555 | A | A | 1.0299 | |
| 1556 | F | A | 2.5538 | |
| 1557 | L | A | 2.0990 | |
| 1558 | G | A | 0.5347 | |
| 1559 | A | A | 0.1183 | |
| 1560 | Q | A | -0.4855 | |
| 1561 | Y | A | 0.8890 | |
| 1562 | P | A | 0.6770 | |
| 1563 | Y | A | 1.7554 | |
| 1564 | S | A | 1.2992 | |
| 1565 | V | A | 1.8945 | |
| 1566 | T | A | 0.5486 | |
| 1567 | P | A | -0.1299 | |
| 1568 | P | A | -0.2250 | |
| 1569 | S | A | 0.3802 | |
| 1570 | L | A | 1.4354 | |
| 1571 | A | A | 0.7868 | |
| 1572 | A | A | 0.5562 | |
| 1573 | T | A | 0.3980 | |
| 1574 | A | A | 0.8422 | |
| 1575 | V | A | 2.1306 | |
| 1576 | S | A | 1.5311 | |
| 1577 | F | A | 2.4991 | |
| 1578 | P | A | 1.3846 | |
| 1579 | V | A | 1.8908 | |
| 1580 | P | A | 0.7287 | |
| 1581 | S | A | 0.5157 | |
| 1582 | M | A | 0.8667 | |
| 1583 | A | A | 0.7999 | |
| 1584 | P | A | 0.9558 | |
| 1585 | I | A | 2.1791 | |
| 1586 | T | A | 1.4190 | |
| 1587 | V | A | 1.6086 | |
| 1588 | H | A | 0.3445 | |
| 1589 | P | A | 0.0333 | |
| 1590 | Y | A | 0.4792 | |
| 1591 | H | A | -0.8070 | |
| 1592 | T | A | -1.3260 | |
| 1593 | E | A | -2.2710 | |
| 1594 | P | A | -1.0358 | |
| 1595 | G | A | -0.2512 | |
| 1596 | L | A | 1.4363 | |
| 1597 | P | A | 1.0822 | |
| 1598 | L | A | 1.5761 | |
| 1599 | P | A | 0.3488 | |
| 1600 | T | A | 0.3819 | |
| 1601 | S | A | 0.8032 | |
| 1602 | V | A | 1.6556 | |
| 1603 | A | A | 1.0509 | |
| 1604 | C | A | 0.5342 | |
| 1605 | E | A | -0.1498 | |
| 1606 | L | A | 1.2160 | |
| 1607 | W | A | 1.0254 | |
| 1608 | G | A | -0.3875 | |
| 1609 | Q | A | -1.4254 | |
| 1610 | G | A | -0.8178 | |
| 1611 | T | A | 0.1462 | |
| 1612 | V | A | 1.4915 | |
| 1613 | S | A | 0.9088 | |
| 1614 | S | A | 0.7041 | |
| 1615 | V | A | 1.0974 | |
| 1616 | H | A | -0.3378 | |
| 1617 | P | A | -0.4406 | |
| 1618 | A | A | -0.4649 | |
| 1619 | S | A | 0.0126 | |
| 1620 | T | A | 0.6750 | |
| 1621 | F | A | 1.9343 | |
| 1622 | P | A | 1.3324 | |
| 1623 | A | A | 1.1031 | |
| 1624 | I | A | 1.5092 | |
| 1625 | Q | A | -0.4338 | |
| 1626 | G | A | -0.6777 | |
| 1627 | A | A | -0.1811 | |
| 1628 | S | A | 0.4121 | |
| 1629 | L | A | 1.4846 | |
| 1630 | P | A | 0.9861 | |
| 1631 | A | A | 1.1676 | |
| 1632 | L | A | 1.5127 | |
| 1633 | T | A | 0.4001 | |
| 1634 | T | A | -0.4962 | |
| 1635 | Q | A | -1.2544 | |
| 1636 | P | A | -0.9908 | |
| 1637 | S | A | -0.4198 | |
| 1638 | P | A | 0.6807 | |
| 1639 | L | A | 2.3358 | |
| 1640 | V | A | 2.3960 | |
| 1641 | S | A | 0.8263 | |
| 1642 | G | A | -0.0615 | |
| 1643 | G | A | 0.1014 | |
| 1644 | F | A | 1.4200 | |
| 1645 | P | A | 0.1508 | |
| 1646 | P | A | -0.7856 | |
| 1647 | P | A | -2.0913 | |
| 1648 | E | A | -3.5841 | |
| 1649 | E | A | -3.9440 | |
| 1650 | E | A | -3.6866 | |
| 1651 | T | A | -2.2541 | |
| 1652 | H | A | -1.8534 | |
| 1653 | S | A | -1.3640 | |
| 1654 | Q | A | -1.4098 | |
| 1655 | P | A | -0.6047 | |
| 1656 | V | A | 0.3778 | |
| 1657 | N | A | -0.6353 | |
| 1658 | P | A | -0.6252 | |
| 1659 | H | A | -1.0883 | |
| 1660 | S | A | 0.0000 | |
| 1661 | L | A | 0.2895 | |
| 1662 | H | A | -0.7364 | |
| 1663 | H | A | 0.0000 | |
| 1664 | L | A | 0.0000 | |
| 1665 | H | A | -0.4157 | |
| 1666 | A | A | 0.0000 | |
| 1667 | A | A | 0.0000 | |
| 1668 | Y | A | 0.0000 | |
| 1669 | R | A | -0.6351 | |
| 1670 | V | A | 0.0000 | |
| 1671 | G | A | 0.0000 | |
| 1672 | M | A | 0.0000 | |
| 1673 | L | A | 0.0000 | |
| 1674 | A | A | 0.0000 | |
| 1675 | L | A | 0.0000 | |
| 1676 | E | A | -2.1529 | |
| 1677 | M | A | 0.0000 | |
| 1678 | L | A | -1.4450 | |
| 1679 | G | A | -2.0416 | |
| 1680 | R | A | -3.0277 | |
| 1681 | R | A | -2.3673 | |
| 1682 | A | A | -2.4289 | |
| 1683 | H | A | -2.8044 | |
| 1684 | N | A | -3.3290 | |
| 1685 | D | A | -3.4598 | |
| 1686 | H | A | -2.9340 | |
| 1687 | P | A | -1.9759 | |
| 1688 | N | A | -2.2359 | |
| 1689 | N | A | -1.8912 | |
| 1690 | F | A | -1.0376 | |
| 1691 | S | A | -1.4064 | |
| 1692 | R | A | -2.0977 | |
| 1693 | S | A | -1.5129 | |
| 1694 | P | A | 0.0000 | |
| 1695 | P | A | -0.8471 | |
| 1696 | Y | A | -1.0045 | |
| 1697 | T | A | -1.5673 | |
| 1698 | D | A | -2.1353 | |
| 1699 | D | A | -1.6350 | |
| 1700 | V | A | 0.0000 | |
| 1701 | K | A | -1.5752 | |
| 1702 | W | A | -0.7510 | |
| 1703 | L | A | 0.0000 | |
| 1704 | L | A | 0.0000 | |
| 1705 | G | A | -0.9040 | |
| 1706 | L | A | 0.0000 | |
| 1707 | A | A | 0.0000 | |
| 1708 | A | A | -0.9499 | |
| 1709 | K | A | -1.5979 | |
| 1710 | L | A | -0.4696 | |
| 1711 | G | A | -0.4105 | |
| 1712 | V | A | 0.1590 | |
| 1713 | N | A | -0.7973 | |
| 1714 | Y | A | -0.5360 | |
| 1715 | V | A | 0.0000 | |
| 1716 | H | A | -0.6269 | |
| 1717 | Q | A | -0.8156 | |
| 1718 | F | A | 0.0000 | |
| 1719 | C | A | 0.0000 | |
| 1720 | V | A | -0.4312 | |
| 1721 | G | A | 0.0000 | |
| 1722 | A | A | 0.0000 | |
| 1723 | A | A | 0.0000 | |
| 1724 | K | A | -2.1494 | |
| 1725 | G | A | 0.0000 | |
| 1726 | V | A | 0.0000 | |
| 1727 | L | A | -0.5103 | |
| 1728 | S | A | 0.0000 | |
| 1729 | P | A | 0.0000 | |
| 1730 | F | A | 0.0000 | |
| 1731 | V | A | 0.0000 | |
| 1732 | L | A | 0.0000 | |
| 1733 | Q | A | -0.9291 | |
| 1734 | E | A | -1.7452 | |
| 1735 | I | A | 0.0000 | |
| 1736 | V | A | 0.0000 | |
| 1737 | M | A | -0.7502 | |
| 1738 | E | A | -1.4120 | |
| 1739 | T | A | 0.0000 | |
| 1740 | L | A | -1.2391 | |
| 1741 | Q | A | -1.8995 | |
| 1742 | R | A | -2.1625 | |
| 1743 | L | A | 0.0000 | |
| 1744 | S | A | -1.1088 | |
| 1745 | P | A | -1.4097 | |
| 1746 | A | A | -0.9002 | |
| 1747 | H | A | -1.7619 | |
| 1748 | A | A | -1.7593 | |
| 1749 | H | A | -2.2490 | |
| 1750 | N | A | -2.6702 | |
| 1751 | H | A | 0.0000 | |
| 1752 | L | A | -1.6781 | |
| 1753 | R | A | -2.6246 | |
| 1754 | A | A | -1.5729 | |
| 1755 | P | A | -0.9484 | |
| 1756 | A | A | -0.9544 | |
| 1757 | F | A | 0.0000 | |
| 1758 | H | A | -1.2635 | |
| 1759 | Q | A | -1.4891 | |
| 1760 | L | A | 0.0000 | |
| 1761 | V | A | 0.0000 | |
| 1762 | Q | A | -1.2435 | |
| 1763 | R | A | -1.4319 | |
| 1764 | C | A | 0.0000 | |
| 1765 | Q | A | 0.0000 | |
| 1766 | Q | A | -1.3326 | |
| 1767 | A | A | 0.0000 | |
| 1768 | Y | A | 0.0000 | |
| 1769 | M | A | -0.8215 | |
| 1770 | Q | A | -1.1551 | |
| 1771 | Y | A | 0.0000 | |
| 1772 | I | A | 0.0000 | |
| 1773 | H | A | -0.5972 | |
| 1774 | H | A | -0.4061 | |
| 1775 | R | A | -0.2702 | |
| 1776 | L | A | 0.2505 | |
| 1777 | I | A | 1.3631 | |
| 1778 | H | A | -0.1533 | |
| 1779 | L | A | 0.0606 | |
| 1780 | T | A | -0.1221 | |
| 1781 | P | A | -0.8610 | |
| 1782 | A | A | -0.7041 | |
| 1783 | D | A | -1.3778 | |
| 1784 | Y | A | -1.7168 | |
| 1785 | D | A | -2.7299 | |
| 1786 | D | A | -2.4157 | |
| 1787 | F | A | 0.0000 | |
| 1788 | V | A | 0.0000 | |
| 1789 | N | A | -1.8620 | |
| 1790 | A | A | 0.0000 | |
| 1791 | I | A | 0.0000 | |
| 1792 | R | A | -0.7995 | |
| 1793 | S | A | -0.5914 | |
| 1794 | A | A | 0.0000 | |
| 1795 | R | A | -0.4461 | |
| 1796 | S | A | -0.1714 | |
| 1797 | A | A | 0.0000 | |
| 1798 | F | A | 0.0000 | |
| 1799 | C | A | 0.7942 | |
| 1800 | L | A | 0.3756 | |
| 1801 | T | A | 0.0000 | |
| 1802 | P | A | 0.4236 | |
| 1803 | M | A | 0.7228 | |
| 1804 | G | A | 0.0000 | |
| 1805 | M | A | 0.3182 | |
| 1806 | M | A | 0.3667 | |
| 1807 | Q | A | -0.9171 | |
| 1808 | F | A | 0.0000 | |
| 1809 | N | A | -1.6864 | |
| 1810 | D | A | -2.4939 | |
| 1811 | I | A | 0.0000 | |
| 1812 | L | A | -1.9805 | |
| 1813 | Q | A | -3.0586 | |
| 1814 | N | A | -3.3815 | |
| 1815 | L | A | 0.0000 | |
| 1816 | K | A | -4.0032 | |
| 1817 | R | A | -3.9854 | |
| 1818 | S | A | -3.3214 | |
| 1819 | K | A | -3.7974 | |
| 1820 | Q | A | -3.1643 | |
| 1821 | T | A | 0.0000 | |
| 1822 | K | A | -4.2379 | |
| 1823 | E | A | -3.5550 | |
| 1824 | L | A | 0.0000 | |
| 1825 | W | A | -2.3792 | |
| 1826 | Q | A | -2.2915 | |
| 1827 | R | A | -1.7860 | |
| 1828 | V | A | 0.0000 | |
| 1829 | S | A | -0.3185 | |
| 1830 | L | A | 1.0421 | |
| 1831 | E | A | 0.3004 | |
| 1832 | M | A | 0.5393 | |
| 1833 | A | A | 0.8631 | |
| 1834 | T | A | 1.0080 | |
| 1835 | F | A | 1.5772 | |
| 1836 | S | A | 0.4915 | |
| 1837 | P | A | 0.1093 |
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 partially or entirely disordered. Average score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.2988 | 6.4036 | View | CSV | PDB |
| 4.5 | -0.3573 | 6.3646 | View | CSV | PDB |
| 5.0 | -0.4318 | 6.3646 | View | CSV | PDB |
| 5.5 | -0.507 | 6.3646 | View | CSV | PDB |
| 6.0 | -0.5681 | 6.3646 | View | CSV | PDB |
| 6.5 | -0.6063 | 6.3646 | View | CSV | PDB |
| 7.0 | -0.6223 | 6.3646 | View | CSV | PDB |
| 7.5 | -0.6234 | 6.3646 | View | CSV | PDB |
| 8.0 | -0.6164 | 6.3646 | View | CSV | PDB |
| 8.5 | -0.6037 | 6.3646 | View | CSV | PDB |
| 9.0 | -0.5847 | 6.3646 | 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