| Chain sequence(s) |
A: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR
C: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR B: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR D: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR input PDB |
| Selected Chain(s) | A,B,C,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[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 all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:13)
[INFO] FoldX: Starting FoldX energy minimization (00:00:14)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:49:19)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1681d1c180a85d/tmp/folded.pdb (00:49:19)
[INFO] Main: Simulation completed successfully. (01:31:25)
|
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 | A | A | -1.2253 | |
| 2 | K | A | -2.3159 | |
| 3 | F | A | 0.0000 | |
| 4 | P | A | -2.0191 | |
| 5 | K | A | -2.8036 | |
| 6 | N | A | -2.3532 | |
| 7 | F | A | 0.0000 | |
| 8 | M | A | -1.1630 | |
| 9 | F | A | 0.0000 | |
| 10 | G | A | 0.0000 | |
| 11 | Y | A | 0.0000 | |
| 12 | S | A | 0.0000 | |
| 13 | W | A | 0.0000 | |
| 14 | S | A | 0.0000 | |
| 15 | G | A | -0.0399 | |
| 16 | F | A | 0.0000 | |
| 17 | Q | A | 0.0000 | |
| 18 | F | A | 0.0000 | |
| 19 | E | A | 0.0000 | |
| 20 | M | A | 0.0000 | |
| 21 | G | A | 0.0000 | |
| 22 | L | A | -0.5715 | |
| 23 | P | A | -0.9558 | |
| 24 | G | A | -1.1476 | |
| 25 | S | A | 0.0000 | |
| 26 | E | A | -2.3208 | |
| 27 | V | A | 0.0000 | |
| 28 | E | A | -1.9833 | |
| 29 | S | A | 0.0000 | |
| 30 | D | A | 0.0000 | |
| 31 | W | A | 0.0000 | |
| 32 | W | A | -0.4859 | |
| 33 | V | A | -0.1856 | |
| 34 | W | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | H | A | -1.0856 | |
| 37 | D | A | -1.2059 | |
| 38 | K | A | -1.8531 | |
| 39 | E | A | -1.1477 | |
| 40 | N | A | 0.0000 | |
| 41 | I | A | -0.6150 | |
| 42 | A | A | -0.3658 | |
| 43 | S | A | -0.3722 | |
| 44 | G | A | -0.2967 | |
| 45 | L | A | 0.0000 | |
| 46 | V | A | 0.0000 | |
| 47 | S | A | -0.7459 | |
| 48 | G | A | -0.8694 | |
| 49 | D | A | -1.2936 | |
| 50 | L | A | -0.7253 | |
| 51 | P | A | 0.0000 | |
| 52 | E | A | -1.1388 | |
| 53 | N | A | -1.1971 | |
| 54 | G | A | 0.0000 | |
| 55 | P | A | 0.0000 | |
| 56 | A | A | 0.0000 | |
| 57 | Y | A | 0.0000 | |
| 58 | W | A | -0.7368 | |
| 59 | H | A | -1.1563 | |
| 60 | L | A | -0.8570 | |
| 61 | Y | A | -1.3520 | |
| 62 | K | A | -2.2177 | |
| 63 | Q | A | -2.4076 | |
| 64 | D | A | 0.0000 | |
| 65 | H | A | 0.0000 | |
| 66 | D | A | -2.9166 | |
| 67 | I | A | -1.7360 | |
| 68 | A | A | 0.0000 | |
| 69 | E | A | -2.6252 | |
| 70 | K | A | -1.9657 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | -1.3381 | |
| 73 | M | A | 0.0000 | |
| 74 | D | A | -1.9224 | |
| 75 | C | A | 0.0000 | |
| 76 | I | A | 0.0000 | |
| 77 | R | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | G | A | -0.0567 | |
| 80 | I | A | 0.0000 | |
| 81 | E | A | 0.0000 | |
| 82 | W | A | 0.0000 | |
| 83 | A | A | 0.0000 | |
| 84 | R | A | -1.2057 | |
| 85 | I | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | P | A | -0.9391 | |
| 88 | K | A | -1.0778 | |
| 89 | P | A | -0.4638 | |
| 90 | T | A | 0.0000 | |
| 91 | F | A | -0.2005 | |
| 92 | D | A | -1.6351 | |
| 93 | V | A | -1.2536 | |
| 94 | K | A | -2.2435 | |
| 95 | V | A | -2.3364 | |
| 96 | D | A | -3.0880 | |
| 97 | V | A | -2.0246 | |
| 98 | E | A | -2.4584 | |
| 99 | K | A | -2.6832 | |
| 100 | D | A | -3.1718 | |
| 101 | E | A | -3.5723 | |
| 102 | E | A | -3.3935 | |
| 103 | G | A | -2.8284 | |
| 104 | N | A | -1.8657 | |
| 105 | I | A | 0.0000 | |
| 106 | I | A | 0.5181 | |
| 107 | S | A | -0.8897 | |
| 108 | V | A | -1.4634 | |
| 109 | D | A | -2.7580 | |
| 110 | V | A | 0.0000 | |
| 111 | P | A | -2.1271 | |
| 112 | E | A | -2.2439 | |
| 113 | S | A | -2.1471 | |
| 114 | T | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | K | A | -3.4239 | |
| 117 | E | A | -3.1534 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -3.0136 | |
| 120 | K | A | -2.9340 | |
| 121 | I | A | -1.6416 | |
| 122 | A | A | 0.0000 | |
| 123 | N | A | -1.7357 | |
| 124 | M | A | -1.6807 | |
| 125 | E | A | -2.5448 | |
| 126 | A | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -2.9844 | |
| 129 | H | A | -2.0728 | |
| 130 | Y | A | 0.0000 | |
| 131 | R | A | -2.0664 | |
| 132 | K | A | -2.0841 | |
| 133 | I | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | S | A | -1.8264 | |
| 136 | D | A | -2.1377 | |
| 137 | W | A | 0.0000 | |
| 138 | K | A | -2.5933 | |
| 139 | E | A | -2.7545 | |
| 140 | R | A | -2.4589 | |
| 141 | G | A | -1.9825 | |
| 142 | K | A | -1.8246 | |
| 143 | T | A | -1.0074 | |
| 144 | F | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | N | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | Y | A | 0.0000 | |
| 150 | H | A | 0.0000 | |
| 151 | W | A | 0.0000 | |
| 152 | P | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | L | A | 0.0805 | |
| 156 | W | A | 0.1477 | |
| 157 | I | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | D | A | -0.2296 | |
| 160 | P | A | 0.0000 | |
| 161 | I | A | 0.1250 | |
| 162 | A | A | -0.2497 | |
| 163 | V | A | 0.0000 | |
| 164 | R | A | 0.0000 | |
| 165 | K | A | -0.1997 | |
| 166 | L | A | -0.3887 | |
| 167 | G | A | -0.9128 | |
| 168 | P | A | -1.0307 | |
| 169 | D | A | -1.9621 | |
| 170 | R | A | -1.4422 | |
| 171 | A | A | -0.8871 | |
| 172 | P | A | -0.6891 | |
| 173 | A | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | W | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | D | A | -2.0169 | |
| 178 | E | A | -2.5679 | |
| 179 | K | A | -1.7592 | |
| 180 | T | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | V | A | -0.7387 | |
| 183 | E | A | 0.0000 | |
| 184 | F | A | 0.0000 | |
| 185 | V | A | 0.0000 | |
| 186 | K | A | 0.0000 | |
| 187 | F | A | 0.0000 | |
| 188 | A | A | 0.0000 | |
| 189 | A | A | 0.0000 | |
| 190 | F | A | 0.0000 | |
| 191 | V | A | 0.0000 | |
| 192 | A | A | 0.0000 | |
| 193 | Y | A | -0.1452 | |
| 194 | H | A | -0.5972 | |
| 195 | L | A | 0.0000 | |
| 196 | D | A | -1.7299 | |
| 197 | D | A | -2.2510 | |
| 198 | L | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | D | A | -1.4520 | |
| 201 | M | A | -0.7478 | |
| 202 | W | A | 0.0000 | |
| 203 | S | A | 0.0000 | |
| 204 | T | A | 0.0000 | |
| 205 | M | A | 0.0000 | |
| 206 | N | A | 0.0000 | |
| 207 | E | A | -0.0660 | |
| 208 | P | A | 0.0000 | |
| 209 | N | A | -0.2610 | |
| 210 | V | A | 0.0722 | |
| 211 | V | A | 0.0582 | |
| 212 | Y | A | -0.5724 | |
| 213 | N | A | -0.6947 | |
| 214 | Q | A | -0.4871 | |
| 215 | G | A | 0.0000 | |
| 216 | Y | A | 0.0000 | |
| 217 | I | A | -0.2309 | |
| 218 | N | A | -0.8116 | |
| 219 | L | A | 0.0000 | |
| 220 | R | A | -1.5448 | |
| 221 | S | A | -0.8004 | |
| 222 | G | A | 0.0000 | |
| 223 | F | A | -0.0717 | |
| 224 | P | A | 0.1351 | |
| 225 | P | A | 0.0000 | |
| 226 | G | A | 0.0000 | |
| 227 | Y | A | 0.1233 | |
| 228 | L | A | 0.0000 | |
| 229 | S | A | 0.0000 | |
| 230 | F | A | -1.4792 | |
| 231 | E | A | -2.7711 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | E | A | -3.1518 | |
| 235 | K | A | -2.8117 | |
| 236 | A | A | 0.0000 | |
| 237 | K | A | -1.6215 | |
| 238 | F | A | -0.6700 | |
| 239 | N | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | I | A | 0.3024 | |
| 242 | Q | A | 0.0000 | |
| 243 | A | A | 0.0000 | |
| 244 | H | A | 0.0000 | |
| 245 | I | A | 0.0000 | |
| 246 | G | A | 0.0000 | |
| 247 | A | A | 0.0000 | |
| 248 | Y | A | -0.4618 | |
| 249 | D | A | -1.1164 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | K | A | -1.4494 | |
| 253 | E | A | -1.4381 | |
| 254 | Y | A | -0.5962 | |
| 255 | S | A | -1.4972 | |
| 256 | E | A | -2.3355 | |
| 257 | K | A | -1.5881 | |
| 258 | S | A | -0.8820 | |
| 259 | V | A | 0.0000 | |
| 260 | G | A | 0.0000 | |
| 261 | V | A | 0.0000 | |
| 262 | I | A | 0.0000 | |
| 263 | Y | A | 0.0000 | |
| 264 | A | A | -0.0848 | |
| 265 | F | A | 0.0000 | |
| 266 | A | A | 0.0183 | |
| 267 | W | A | 0.0000 | |
| 268 | H | A | 0.0000 | |
| 269 | D | A | -0.2409 | |
| 270 | P | A | -0.9507 | |
| 271 | L | A | 0.7016 | |
| 272 | A | A | -1.0485 | |
| 273 | E | A | -3.2641 | |
| 274 | E | A | -3.2736 | |
| 275 | Y | A | -2.7926 | |
| 276 | K | A | -4.1415 | |
| 277 | D | A | -4.6064 | |
| 278 | E | A | -4.2264 | |
| 279 | V | A | 0.0000 | |
| 280 | E | A | -4.1688 | |
| 281 | E | A | -4.0796 | |
| 282 | I | A | -3.0674 | |
| 283 | R | A | -2.9014 | |
| 284 | K | A | -3.8885 | |
| 285 | K | A | -3.8997 | |
| 286 | D | A | -2.5495 | |
| 287 | Y | A | 0.0000 | |
| 288 | E | A | -2.8008 | |
| 289 | F | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | T | A | -1.1870 | |
| 292 | I | A | -0.3013 | |
| 293 | L | A | 0.0000 | |
| 294 | H | A | -1.3774 | |
| 295 | S | A | -1.1371 | |
| 296 | K | A | -2.0547 | |
| 297 | G | A | -1.5965 | |
| 298 | K | A | -1.2414 | |
| 299 | L | A | 0.0000 | |
| 300 | D | A | -0.7152 | |
| 301 | W | A | 0.0000 | |
| 302 | I | A | 0.0000 | |
| 303 | G | A | 0.0000 | |
| 304 | V | A | 0.0000 | |
| 305 | N | A | 0.0000 | |
| 306 | Y | A | 0.0000 | |
| 307 | Y | A | 0.3127 | |
| 308 | S | A | 0.0000 | |
| 309 | R | A | 0.1623 | |
| 310 | L | A | 0.3852 | |
| 311 | V | A | 0.0000 | |
| 312 | Y | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | A | A | -1.2934 | |
| 315 | K | A | -2.6677 | |
| 316 | D | A | -2.9493 | |
| 317 | G | A | -2.1289 | |
| 318 | H | A | -1.9626 | |
| 319 | L | A | -1.1866 | |
| 320 | V | A | -0.7189 | |
| 321 | P | A | 0.0389 | |
| 322 | L | A | 0.1657 | |
| 323 | P | A | -0.4000 | |
| 324 | G | A | -0.8025 | |
| 325 | Y | A | -0.2788 | |
| 326 | G | A | 0.0000 | |
| 327 | F | A | 0.8155 | |
| 328 | M | A | -0.1141 | |
| 329 | S | A | -1.0468 | |
| 330 | E | A | -2.4687 | |
| 331 | R | A | -2.5731 | |
| 332 | G | A | -1.3549 | |
| 333 | G | A | -0.7445 | |
| 334 | F | A | 0.2463 | |
| 335 | A | A | 0.0000 | |
| 336 | K | A | -1.7427 | |
| 337 | S | A | -0.8561 | |
| 338 | G | A | -0.4665 | |
| 339 | R | A | -0.4330 | |
| 340 | P | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | D | A | -1.6632 | |
| 344 | F | A | -0.6375 | |
| 345 | G | A | 0.0000 | |
| 346 | W | A | 0.1600 | |
| 347 | E | A | 0.0000 | |
| 348 | M | A | 0.0000 | |
| 349 | Y | A | -0.1314 | |
| 350 | P | A | -0.7157 | |
| 351 | E | A | -0.9830 | |
| 352 | G | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -1.5617 | |
| 355 | N | A | -0.9979 | |
| 356 | L | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | K | A | -1.9952 | |
| 359 | Y | A | -0.9105 | |
| 360 | L | A | 0.0000 | |
| 361 | N | A | -1.8572 | |
| 362 | N | A | -1.9091 | |
| 363 | A | A | -1.3430 | |
| 364 | Y | A | 0.0000 | |
| 365 | E | A | -2.3868 | |
| 366 | L | A | -1.0485 | |
| 367 | P | A | -0.8941 | |
| 368 | M | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | E | A | -0.1736 | |
| 373 | N | A | 0.0000 | |
| 374 | G | A | 0.0000 | |
| 375 | M | A | 0.0000 | |
| 376 | A | A | 0.0000 | |
| 377 | D | A | 0.0000 | |
| 378 | A | A | -0.2998 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | 0.0000 | |
| 381 | R | A | -0.3861 | |
| 382 | Y | A | 0.0000 | |
| 383 | R | A | 0.0000 | |
| 384 | P | A | 0.0000 | |
| 385 | H | A | 0.0000 | |
| 386 | Y | A | 0.0000 | |
| 387 | L | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | S | A | 0.0000 | |
| 390 | H | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | K | A | -1.1953 | |
| 393 | A | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | Y | A | -1.5001 | |
| 396 | N | A | -2.5115 | |
| 397 | A | A | 0.0000 | |
| 398 | M | A | -2.2599 | |
| 399 | K | A | -3.1322 | |
| 400 | E | A | -3.2735 | |
| 401 | G | A | -2.5565 | |
| 402 | A | A | 0.0000 | |
| 403 | D | A | -1.7447 | |
| 404 | V | A | 0.0000 | |
| 405 | R | A | -1.7794 | |
| 406 | G | A | 0.0000 | |
| 407 | Y | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | H | A | 0.0000 | |
| 410 | W | A | 0.0000 | |
| 411 | S | A | 0.0000 | |
| 412 | L | A | 0.0000 | |
| 413 | T | A | 0.0000 | |
| 414 | D | A | 0.0000 | |
| 415 | N | A | 0.0000 | |
| 416 | Y | A | 0.0000 | |
| 417 | E | A | -0.5920 | |
| 418 | W | A | 0.0000 | |
| 419 | A | A | 0.0000 | |
| 420 | Q | A | -1.0570 | |
| 421 | G | A | 0.0000 | |
| 422 | F | A | -1.0005 | |
| 423 | R | A | -2.0432 | |
| 424 | M | A | 0.0000 | |
| 425 | R | A | 0.0000 | |
| 426 | F | A | 0.0000 | |
| 427 | G | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | Y | A | 0.0000 | |
| 431 | V | A | 0.0000 | |
| 432 | D | A | -1.2973 | |
| 433 | F | A | -1.4378 | |
| 434 | E | A | -2.3000 | |
| 435 | T | A | -1.5583 | |
| 436 | K | A | -1.7702 | |
| 437 | K | A | -1.9978 | |
| 438 | R | A | -1.3168 | |
| 439 | Y | A | -0.9044 | |
| 440 | L | A | 0.0000 | |
| 441 | R | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | S | A | 0.0000 | |
| 444 | A | A | 0.0000 | |
| 445 | L | A | 0.0000 | |
| 446 | V | A | 0.0000 | |
| 447 | F | A | 0.0000 | |
| 448 | R | A | -0.9012 | |
| 449 | E | A | -0.6958 | |
| 450 | I | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | T | A | -1.2441 | |
| 453 | Q | A | -1.4195 | |
| 454 | K | A | -1.6577 | |
| 455 | E | A | -1.6181 | |
| 456 | I | A | -1.2041 | |
| 457 | P | A | -1.7620 | |
| 458 | E | A | -2.6198 | |
| 459 | E | A | -2.7099 | |
| 460 | L | A | 0.0000 | |
| 461 | A | A | -1.4226 | |
| 462 | H | A | -1.0473 | |
| 463 | L | A | 0.0000 | |
| 464 | A | A | -1.0388 | |
| 465 | D | A | -1.7175 | |
| 466 | L | A | 0.0000 | |
| 467 | K | A | -1.7981 | |
| 468 | F | A | -0.4151 | |
| 469 | V | A | 0.0000 | |
| 470 | T | A | -0.2708 | |
| 1 | A | B | -1.8191 | |
| 2 | K | B | -2.9474 | |
| 3 | F | B | 0.0000 | |
| 4 | P | B | -1.9805 | |
| 5 | K | B | -2.5725 | |
| 6 | N | B | -1.8857 | |
| 7 | F | B | 0.0000 | |
| 8 | M | B | -0.9285 | |
| 9 | F | B | 0.0000 | |
| 10 | G | B | 0.0000 | |
| 11 | Y | B | 0.0000 | |
| 12 | S | B | 0.0000 | |
| 13 | W | B | 0.0000 | |
| 14 | S | B | 0.0000 | |
| 15 | G | B | -0.0986 | |
| 16 | F | B | 0.0000 | |
| 17 | Q | B | 0.0000 | |
| 18 | F | B | 0.0000 | |
| 19 | E | B | 0.0000 | |
| 20 | M | B | 0.0000 | |
| 21 | G | B | 0.0000 | |
| 22 | L | B | -0.7651 | |
| 23 | P | B | -1.0637 | |
| 24 | G | B | -0.9806 | |
| 25 | S | B | 0.0000 | |
| 26 | E | B | -2.4627 | |
| 27 | V | B | -1.6423 | |
| 28 | E | B | -1.8093 | |
| 29 | S | B | 0.0000 | |
| 30 | D | B | 0.0000 | |
| 31 | W | B | 0.0000 | |
| 32 | W | B | -0.3651 | |
| 33 | V | B | -0.2744 | |
| 34 | W | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | H | B | -1.4168 | |
| 37 | D | B | -1.4235 | |
| 38 | K | B | -2.0703 | |
| 39 | E | B | -1.1174 | |
| 40 | N | B | 0.0000 | |
| 41 | I | B | -0.5072 | |
| 42 | A | B | -0.3847 | |
| 43 | S | B | 0.0000 | |
| 44 | G | B | -0.6156 | |
| 45 | L | B | -0.1722 | |
| 46 | V | B | -0.2877 | |
| 47 | S | B | -0.5936 | |
| 48 | G | B | -1.0078 | |
| 49 | D | B | -1.3205 | |
| 50 | L | B | -1.0272 | |
| 51 | P | B | 0.0000 | |
| 52 | E | B | -2.5812 | |
| 53 | N | B | -2.1400 | |
| 54 | G | B | 0.0000 | |
| 55 | P | B | 0.0000 | |
| 56 | A | B | 0.0000 | |
| 57 | Y | B | 0.0000 | |
| 58 | W | B | -0.5894 | |
| 59 | H | B | -0.6107 | |
| 60 | L | B | -0.6033 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -2.5792 | |
| 63 | Q | B | -2.2614 | |
| 64 | D | B | 0.0000 | |
| 65 | H | B | 0.0000 | |
| 66 | D | B | -2.1398 | |
| 67 | I | B | -1.4440 | |
| 68 | A | B | 0.0000 | |
| 69 | E | B | -2.1407 | |
| 70 | K | B | -2.2576 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -1.5015 | |
| 73 | M | B | 0.0000 | |
| 74 | D | B | -1.2039 | |
| 75 | C | B | 0.0000 | |
| 76 | I | B | 0.0000 | |
| 77 | R | B | 0.0000 | |
| 78 | G | B | 0.0000 | |
| 79 | G | B | 0.0000 | |
| 80 | I | B | 0.0000 | |
| 81 | E | B | -0.2304 | |
| 82 | W | B | 0.0000 | |
| 83 | A | B | 0.0000 | |
| 84 | R | B | 0.0000 | |
| 85 | I | B | 0.0000 | |
| 86 | F | B | 0.0000 | |
| 87 | P | B | -0.9597 | |
| 88 | K | B | -1.3070 | |
| 89 | P | B | -0.6909 | |
| 90 | T | B | 0.0000 | |
| 91 | F | B | -0.6620 | |
| 92 | D | B | -1.8389 | |
| 93 | V | B | -1.5039 | |
| 94 | K | B | -2.5826 | |
| 95 | V | B | -2.1600 | |
| 96 | D | B | -2.8626 | |
| 97 | V | B | -1.9108 | |
| 98 | E | B | -2.8810 | |
| 99 | K | B | -3.3564 | |
| 100 | D | B | -3.9678 | |
| 101 | E | B | -3.8700 | |
| 102 | E | B | -3.6244 | |
| 103 | G | B | -2.8912 | |
| 104 | N | B | -2.2355 | |
| 105 | I | B | 0.0000 | |
| 106 | I | B | 0.1475 | |
| 107 | S | B | -1.2943 | |
| 108 | V | B | -1.7920 | |
| 109 | D | B | -3.0456 | |
| 110 | V | B | 0.0000 | |
| 111 | P | B | -1.6093 | |
| 112 | E | B | -1.7538 | |
| 113 | S | B | -1.7350 | |
| 114 | T | B | -2.3181 | |
| 115 | I | B | 0.0000 | |
| 116 | K | B | -3.5962 | |
| 117 | E | B | -3.7019 | |
| 118 | L | B | 0.0000 | |
| 119 | E | B | -2.7909 | |
| 120 | K | B | -2.9130 | |
| 121 | I | B | -1.6088 | |
| 122 | A | B | 0.0000 | |
| 123 | N | B | -1.5595 | |
| 124 | M | B | -1.5828 | |
| 125 | E | B | -2.3507 | |
| 126 | A | B | 0.0000 | |
| 127 | L | B | 0.0000 | |
| 128 | E | B | -3.0217 | |
| 129 | H | B | -2.1949 | |
| 130 | Y | B | 0.0000 | |
| 131 | R | B | -2.4060 | |
| 132 | K | B | -2.8086 | |
| 133 | I | B | 0.0000 | |
| 134 | Y | B | 0.0000 | |
| 135 | S | B | -2.5019 | |
| 136 | D | B | -2.5668 | |
| 137 | W | B | 0.0000 | |
| 138 | K | B | -3.4125 | |
| 139 | E | B | -3.0939 | |
| 140 | R | B | -2.4830 | |
| 141 | G | B | -2.1841 | |
| 142 | K | B | -1.9863 | |
| 143 | T | B | -1.0899 | |
| 144 | F | B | 0.0000 | |
| 145 | I | B | 0.0000 | |
| 146 | L | B | 0.0000 | |
| 147 | N | B | 0.0000 | |
| 148 | L | B | 0.0000 | |
| 149 | Y | B | 0.0000 | |
| 150 | H | B | -0.2405 | |
| 151 | W | B | 0.0000 | |
| 152 | P | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | L | B | 0.4980 | |
| 156 | W | B | 0.2487 | |
| 157 | I | B | 0.0000 | |
| 158 | H | B | 0.0000 | |
| 159 | D | B | -0.1313 | |
| 160 | P | B | 0.0000 | |
| 161 | I | B | -0.0599 | |
| 162 | A | B | -0.2136 | |
| 163 | V | B | 0.0000 | |
| 164 | R | B | 0.0000 | |
| 165 | K | B | -0.6128 | |
| 166 | L | B | -0.1428 | |
| 167 | G | B | 0.0000 | |
| 168 | P | B | -1.5707 | |
| 169 | D | B | -2.4942 | |
| 170 | R | B | -2.4625 | |
| 171 | A | B | 0.0000 | |
| 172 | P | B | -0.7913 | |
| 173 | A | B | 0.0000 | |
| 174 | G | B | 0.0000 | |
| 175 | W | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | D | B | -2.0325 | |
| 178 | E | B | -2.3919 | |
| 179 | K | B | -1.7218 | |
| 180 | T | B | 0.0000 | |
| 181 | V | B | -0.3874 | |
| 182 | V | B | -0.3388 | |
| 183 | E | B | 0.0000 | |
| 184 | F | B | 0.0000 | |
| 185 | V | B | 0.0000 | |
| 186 | K | B | 0.0000 | |
| 187 | F | B | 0.0000 | |
| 188 | A | B | 0.0000 | |
| 189 | A | B | 0.0000 | |
| 190 | F | B | 0.0000 | |
| 191 | V | B | 0.0000 | |
| 192 | A | B | 0.0000 | |
| 193 | Y | B | 0.0563 | |
| 194 | H | B | -0.4366 | |
| 195 | L | B | 0.0000 | |
| 196 | D | B | -1.6209 | |
| 197 | D | B | -2.3504 | |
| 198 | L | B | 0.0000 | |
| 199 | V | B | 0.0000 | |
| 200 | D | B | -1.7327 | |
| 201 | M | B | -0.8715 | |
| 202 | W | B | 0.0000 | |
| 203 | S | B | 0.0000 | |
| 204 | T | B | 0.0000 | |
| 205 | M | B | 0.0000 | |
| 206 | N | B | 0.0000 | |
| 207 | E | B | -0.2763 | |
| 208 | P | B | 0.0000 | |
| 209 | N | B | -0.6513 | |
| 210 | V | B | -0.1060 | |
| 211 | V | B | -0.1783 | |
| 212 | Y | B | -0.8550 | |
| 213 | N | B | -1.4862 | |
| 214 | Q | B | -0.6608 | |
| 215 | G | B | 0.0000 | |
| 216 | Y | B | 0.0000 | |
| 217 | I | B | -0.5222 | |
| 218 | N | B | -0.5330 | |
| 219 | L | B | 0.0000 | |
| 220 | R | B | -1.1914 | |
| 221 | S | B | -0.6208 | |
| 222 | G | B | -0.3002 | |
| 223 | F | B | 0.2561 | |
| 224 | P | B | 0.0000 | |
| 225 | P | B | 0.0000 | |
| 226 | G | B | 0.0000 | |
| 227 | Y | B | 0.0311 | |
| 228 | L | B | 0.0000 | |
| 229 | S | B | 0.0000 | |
| 230 | F | B | -1.4129 | |
| 231 | E | B | -2.5360 | |
| 232 | A | B | 0.0000 | |
| 233 | A | B | 0.0000 | |
| 234 | E | B | -2.6463 | |
| 235 | K | B | -1.9526 | |
| 236 | A | B | 0.0000 | |
| 237 | K | B | -0.8647 | |
| 238 | F | B | 0.9321 | |
| 239 | N | B | 0.0000 | |
| 240 | L | B | 0.0000 | |
| 241 | I | B | 0.8441 | |
| 242 | Q | B | 0.4551 | |
| 243 | A | B | 0.0000 | |
| 244 | H | B | 0.0000 | |
| 245 | I | B | 0.0000 | |
| 246 | G | B | 0.0000 | |
| 247 | A | B | 0.0000 | |
| 248 | Y | B | 0.0000 | |
| 249 | D | B | -1.0969 | |
| 250 | A | B | 0.0000 | |
| 251 | I | B | 0.0000 | |
| 252 | K | B | -2.6897 | |
| 253 | E | B | -2.8370 | |
| 254 | Y | B | -1.5226 | |
| 255 | S | B | 0.0000 | |
| 256 | E | B | -2.7412 | |
| 257 | K | B | -1.8087 | |
| 258 | S | B | -1.1324 | |
| 259 | V | B | 0.0000 | |
| 260 | G | B | 0.0000 | |
| 261 | V | B | 0.0000 | |
| 262 | I | B | 0.0000 | |
| 263 | Y | B | 0.0000 | |
| 264 | A | B | -0.1663 | |
| 265 | F | B | 0.0000 | |
| 266 | A | B | -0.0472 | |
| 267 | W | B | 0.0000 | |
| 268 | H | B | 0.0000 | |
| 269 | D | B | -0.4778 | |
| 270 | P | B | -1.0320 | |
| 271 | L | B | 0.4922 | |
| 272 | A | B | -0.9947 | |
| 273 | E | B | -3.1498 | |
| 274 | E | B | -3.2094 | |
| 275 | Y | B | -2.6106 | |
| 276 | K | B | -3.7679 | |
| 277 | D | B | -4.4026 | |
| 278 | E | B | -4.3515 | |
| 279 | V | B | 0.0000 | |
| 280 | E | B | -4.0594 | |
| 281 | E | B | -4.5813 | |
| 282 | I | B | -3.1335 | |
| 283 | R | B | -2.8851 | |
| 284 | K | B | -3.8387 | |
| 285 | K | B | -3.6954 | |
| 286 | D | B | -2.5307 | |
| 287 | Y | B | 0.0000 | |
| 288 | E | B | -1.7330 | |
| 289 | F | B | 0.0000 | |
| 290 | V | B | 0.0000 | |
| 291 | T | B | -0.8721 | |
| 292 | I | B | -0.1176 | |
| 293 | L | B | 0.0000 | |
| 294 | H | B | -1.2268 | |
| 295 | S | B | -0.9878 | |
| 296 | K | B | -1.5956 | |
| 297 | G | B | -1.4698 | |
| 298 | K | B | -1.3073 | |
| 299 | L | B | 0.0000 | |
| 300 | D | B | -0.9958 | |
| 301 | W | B | 0.0000 | |
| 302 | I | B | 0.0000 | |
| 303 | G | B | 0.0000 | |
| 304 | V | B | 0.0000 | |
| 305 | N | B | 0.0000 | |
| 306 | Y | B | 0.0000 | |
| 307 | Y | B | 0.2679 | |
| 308 | S | B | 0.0000 | |
| 309 | R | B | 0.1187 | |
| 310 | L | B | 0.5594 | |
| 311 | V | B | 0.0000 | |
| 312 | Y | B | 0.0000 | |
| 313 | G | B | 0.0000 | |
| 314 | A | B | -1.2284 | |
| 315 | K | B | -2.6306 | |
| 316 | D | B | -2.9615 | |
| 317 | G | B | -2.0372 | |
| 318 | H | B | -1.9436 | |
| 319 | L | B | -0.7589 | |
| 320 | V | B | 0.0854 | |
| 321 | P | B | 0.7553 | |
| 322 | L | B | 0.5804 | |
| 323 | P | B | -0.1696 | |
| 324 | G | B | -0.4453 | |
| 325 | Y | B | 0.1215 | |
| 326 | G | B | 0.0000 | |
| 327 | F | B | 0.7872 | |
| 328 | M | B | 0.3043 | |
| 329 | S | B | 0.0000 | |
| 330 | E | B | -2.3750 | |
| 331 | R | B | -2.6146 | |
| 332 | G | B | -1.5855 | |
| 333 | G | B | -0.6025 | |
| 334 | F | B | 0.5806 | |
| 335 | A | B | 0.0000 | |
| 336 | K | B | -1.6162 | |
| 337 | S | B | -0.7227 | |
| 338 | G | B | -0.5241 | |
| 339 | R | B | -0.2683 | |
| 340 | P | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | S | B | 0.0000 | |
| 343 | D | B | -1.9497 | |
| 344 | F | B | -0.8000 | |
| 345 | G | B | 0.0000 | |
| 346 | W | B | 0.1710 | |
| 347 | E | B | 0.0000 | |
| 348 | M | B | 0.0000 | |
| 349 | Y | B | -0.1614 | |
| 350 | P | B | -0.5837 | |
| 351 | E | B | -0.9306 | |
| 352 | G | B | 0.0000 | |
| 353 | L | B | 0.0000 | |
| 354 | E | B | -1.7464 | |
| 355 | N | B | -1.3174 | |
| 356 | L | B | 0.0000 | |
| 357 | L | B | 0.0000 | |
| 358 | K | B | -2.0484 | |
| 359 | Y | B | -0.9276 | |
| 360 | L | B | 0.0000 | |
| 361 | N | B | -2.1488 | |
| 362 | N | B | -2.0002 | |
| 363 | A | B | -1.1680 | |
| 364 | Y | B | 0.0000 | |
| 365 | E | B | -2.3739 | |
| 366 | L | B | -1.2839 | |
| 367 | P | B | -0.9827 | |
| 368 | M | B | 0.0000 | |
| 369 | I | B | 0.0000 | |
| 370 | I | B | 0.0000 | |
| 371 | T | B | 0.0000 | |
| 372 | E | B | -0.1545 | |
| 373 | N | B | 0.0000 | |
| 374 | G | B | 0.0000 | |
| 375 | M | B | 0.0000 | |
| 376 | A | B | 0.0000 | |
| 377 | D | B | 0.0000 | |
| 378 | A | B | -0.4955 | |
| 379 | A | B | -0.1789 | |
| 380 | D | B | 0.0000 | |
| 381 | R | B | -0.8055 | |
| 382 | Y | B | -0.2777 | |
| 383 | R | B | 0.0000 | |
| 384 | P | B | 0.0000 | |
| 385 | H | B | 0.0000 | |
| 386 | Y | B | 0.0000 | |
| 387 | L | B | 0.0000 | |
| 388 | V | B | 0.0000 | |
| 389 | S | B | 0.0000 | |
| 390 | H | B | 0.0000 | |
| 391 | L | B | 0.0000 | |
| 392 | K | B | -1.0256 | |
| 393 | A | B | -1.2231 | |
| 394 | V | B | 0.0000 | |
| 395 | Y | B | -1.5543 | |
| 396 | N | B | -2.4263 | |
| 397 | A | B | 0.0000 | |
| 398 | M | B | -2.2229 | |
| 399 | K | B | -3.0446 | |
| 400 | E | B | -3.4516 | |
| 401 | G | B | -2.5167 | |
| 402 | A | B | 0.0000 | |
| 403 | D | B | -1.9310 | |
| 404 | V | B | 0.0000 | |
| 405 | R | B | -1.3251 | |
| 406 | G | B | 0.0000 | |
| 407 | Y | B | 0.0000 | |
| 408 | L | B | 0.0000 | |
| 409 | H | B | 0.0000 | |
| 410 | W | B | 0.0000 | |
| 411 | S | B | 0.0000 | |
| 412 | L | B | 0.0000 | |
| 413 | T | B | 0.0000 | |
| 414 | D | B | 0.0000 | |
| 415 | N | B | 0.0000 | |
| 416 | Y | B | 0.0000 | |
| 417 | E | B | -0.6457 | |
| 418 | W | B | -0.0971 | |
| 419 | A | B | -0.4838 | |
| 420 | Q | B | -1.1285 | |
| 421 | G | B | 0.0000 | |
| 422 | F | B | -1.1025 | |
| 423 | R | B | -1.9945 | |
| 424 | M | B | 0.0000 | |
| 425 | R | B | -0.9359 | |
| 426 | F | B | 0.0000 | |
| 427 | G | B | 0.0000 | |
| 428 | L | B | 0.0000 | |
| 429 | V | B | 0.0000 | |
| 430 | Y | B | 0.0000 | |
| 431 | V | B | 0.0000 | |
| 432 | D | B | -1.3256 | |
| 433 | F | B | -1.4904 | |
| 434 | E | B | -2.1983 | |
| 435 | T | B | -1.4094 | |
| 436 | K | B | 0.0000 | |
| 437 | K | B | -1.8327 | |
| 438 | R | B | -1.3004 | |
| 439 | Y | B | -0.9044 | |
| 440 | L | B | 0.0000 | |
| 441 | R | B | 0.0000 | |
| 442 | P | B | 0.0000 | |
| 443 | S | B | 0.0000 | |
| 444 | A | B | 0.0000 | |
| 445 | L | B | 0.0000 | |
| 446 | V | B | 0.0000 | |
| 447 | F | B | 0.0000 | |
| 448 | R | B | -1.0876 | |
| 449 | E | B | -0.9025 | |
| 450 | I | B | 0.0000 | |
| 451 | A | B | 0.0000 | |
| 452 | T | B | -1.5289 | |
| 453 | Q | B | -2.1629 | |
| 454 | K | B | -2.8623 | |
| 455 | E | B | -2.7160 | |
| 456 | I | B | 0.0000 | |
| 457 | P | B | -2.2423 | |
| 458 | E | B | -2.9373 | |
| 459 | E | B | -2.8121 | |
| 460 | L | B | 0.0000 | |
| 461 | A | B | -1.5412 | |
| 462 | H | B | -1.1900 | |
| 463 | L | B | -0.5949 | |
| 464 | A | B | -0.6503 | |
| 465 | D | B | -1.0607 | |
| 466 | L | B | -0.7903 | |
| 467 | K | B | -1.4795 | |
| 468 | F | B | -0.2170 | |
| 469 | V | B | -0.0036 | |
| 470 | T | B | -0.0913 | |
| 1 | A | C | -1.3355 | |
| 2 | K | C | -2.1458 | |
| 3 | F | C | -1.7124 | |
| 4 | P | C | -1.7415 | |
| 5 | K | C | -2.6748 | |
| 6 | N | C | -2.2853 | |
| 7 | F | C | 0.0000 | |
| 8 | M | C | 0.0000 | |
| 9 | F | C | 0.0000 | |
| 10 | G | C | 0.0000 | |
| 11 | Y | C | 0.0000 | |
| 12 | S | C | 0.0000 | |
| 13 | W | C | 0.0000 | |
| 14 | S | C | 0.0000 | |
| 15 | G | C | 0.0000 | |
| 16 | F | C | 0.0000 | |
| 17 | Q | C | -0.2702 | |
| 18 | F | C | 0.0000 | |
| 19 | E | C | 0.0000 | |
| 20 | M | C | 0.0000 | |
| 21 | G | C | -1.0557 | |
| 22 | L | C | -0.5943 | |
| 23 | P | C | -0.7301 | |
| 24 | G | C | -1.0428 | |
| 25 | S | C | 0.0000 | |
| 26 | E | C | -2.4715 | |
| 27 | V | C | -1.4404 | |
| 28 | E | C | -1.3979 | |
| 29 | S | C | 0.0000 | |
| 30 | D | C | 0.0000 | |
| 31 | W | C | 0.0000 | |
| 32 | W | C | -0.3263 | |
| 33 | V | C | 0.1561 | |
| 34 | W | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | H | C | -1.3446 | |
| 37 | D | C | -1.0389 | |
| 38 | K | C | -1.6753 | |
| 39 | E | C | -0.8190 | |
| 40 | N | C | 0.0000 | |
| 41 | I | C | 0.1787 | |
| 42 | A | C | 0.1121 | |
| 43 | S | C | 0.0000 | |
| 44 | G | C | -0.2389 | |
| 45 | L | C | -0.1267 | |
| 46 | V | C | -0.1895 | |
| 47 | S | C | -0.5394 | |
| 48 | G | C | -1.1363 | |
| 49 | D | C | -2.0976 | |
| 50 | L | C | -1.6207 | |
| 51 | P | C | 0.0000 | |
| 52 | E | C | -2.4888 | |
| 53 | N | C | -1.5921 | |
| 54 | G | C | 0.0000 | |
| 55 | P | C | 0.0000 | |
| 56 | A | C | 0.0000 | |
| 57 | Y | C | 0.0000 | |
| 58 | W | C | 0.0000 | |
| 59 | H | C | -0.6719 | |
| 60 | L | C | -0.7230 | |
| 61 | Y | C | -1.2663 | |
| 62 | K | C | -2.5023 | |
| 63 | Q | C | -2.1653 | |
| 64 | D | C | 0.0000 | |
| 65 | H | C | 0.0000 | |
| 66 | D | C | -2.3494 | |
| 67 | I | C | -1.5188 | |
| 68 | A | C | 0.0000 | |
| 69 | E | C | -2.6313 | |
| 70 | K | C | -2.5425 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -1.5394 | |
| 73 | M | C | 0.0000 | |
| 74 | D | C | -1.1122 | |
| 75 | C | C | 0.0000 | |
| 76 | I | C | 0.0000 | |
| 77 | R | C | 0.0000 | |
| 78 | G | C | 0.0000 | |
| 79 | G | C | 0.0000 | |
| 80 | I | C | 0.0000 | |
| 81 | E | C | 0.0000 | |
| 82 | W | C | 0.0000 | |
| 83 | A | C | 0.0000 | |
| 84 | R | C | 0.0000 | |
| 85 | I | C | 0.0000 | |
| 86 | F | C | 0.0000 | |
| 87 | P | C | -0.6767 | |
| 88 | K | C | -0.9398 | |
| 89 | P | C | -0.4902 | |
| 90 | T | C | 0.0000 | |
| 91 | F | C | -0.3638 | |
| 92 | D | C | -1.7740 | |
| 93 | V | C | -1.4021 | |
| 94 | K | C | -2.2842 | |
| 95 | V | C | -1.6069 | |
| 96 | D | C | -2.5119 | |
| 97 | V | C | -1.7282 | |
| 98 | E | C | -2.6333 | |
| 99 | K | C | -2.9670 | |
| 100 | D | C | -3.4386 | |
| 101 | E | C | -3.6507 | |
| 102 | E | C | -3.4311 | |
| 103 | G | C | -2.7023 | |
| 104 | N | C | -1.8903 | |
| 105 | I | C | -0.9778 | |
| 106 | I | C | -0.0364 | |
| 107 | S | C | -1.0114 | |
| 108 | V | C | 0.0000 | |
| 109 | D | C | -2.6041 | |
| 110 | V | C | 0.0000 | |
| 111 | P | C | -1.9284 | |
| 112 | E | C | -2.5786 | |
| 113 | S | C | -2.3554 | |
| 114 | T | C | -2.5398 | |
| 115 | I | C | 0.0000 | |
| 116 | K | C | -3.9825 | |
| 117 | E | C | -3.8884 | |
| 118 | L | C | 0.0000 | |
| 119 | E | C | -3.6401 | |
| 120 | K | C | -3.1751 | |
| 121 | I | C | -1.7027 | |
| 122 | A | C | 0.0000 | |
| 123 | N | C | -1.5456 | |
| 124 | M | C | -1.7241 | |
| 125 | E | C | -2.2757 | |
| 126 | A | C | 0.0000 | |
| 127 | L | C | 0.0000 | |
| 128 | E | C | -2.2905 | |
| 129 | H | C | -1.8458 | |
| 130 | Y | C | 0.0000 | |
| 131 | R | C | -1.8265 | |
| 132 | K | C | -2.1197 | |
| 133 | I | C | 0.0000 | |
| 134 | Y | C | 0.0000 | |
| 135 | S | C | -1.8198 | |
| 136 | D | C | 0.0000 | |
| 137 | W | C | 0.0000 | |
| 138 | K | C | -2.7751 | |
| 139 | E | C | -2.7582 | |
| 140 | R | C | -2.3452 | |
| 141 | G | C | -1.9805 | |
| 142 | K | C | -1.7585 | |
| 143 | T | C | -0.9219 | |
| 144 | F | C | 0.0000 | |
| 145 | I | C | 0.0000 | |
| 146 | L | C | 0.0000 | |
| 147 | N | C | 0.0000 | |
| 148 | L | C | 0.0000 | |
| 149 | Y | C | 0.0000 | |
| 150 | H | C | -0.0705 | |
| 151 | W | C | 0.0641 | |
| 152 | P | C | 0.0000 | |
| 153 | L | C | 0.0000 | |
| 154 | P | C | 0.0000 | |
| 155 | L | C | 0.5947 | |
| 156 | W | C | 0.2945 | |
| 157 | I | C | 0.0000 | |
| 158 | H | C | 0.0000 | |
| 159 | D | C | -0.2780 | |
| 160 | P | C | 0.0000 | |
| 161 | I | C | 0.1902 | |
| 162 | A | C | -0.2187 | |
| 163 | V | C | 0.0000 | |
| 164 | R | C | 0.0000 | |
| 165 | K | C | -0.2342 | |
| 166 | L | C | -0.6254 | |
| 167 | G | C | 0.0000 | |
| 168 | P | C | -1.5300 | |
| 169 | D | C | -2.4031 | |
| 170 | R | C | -2.1484 | |
| 171 | A | C | -1.3215 | |
| 172 | P | C | -0.8350 | |
| 173 | A | C | 0.0000 | |
| 174 | G | C | 0.0000 | |
| 175 | W | C | 0.0000 | |
| 176 | L | C | 0.0000 | |
| 177 | D | C | -2.2828 | |
| 178 | E | C | -2.7119 | |
| 179 | K | C | -2.0644 | |
| 180 | T | C | 0.0000 | |
| 181 | V | C | 0.0000 | |
| 182 | V | C | -0.1284 | |
| 183 | E | C | 0.0000 | |
| 184 | F | C | 0.0000 | |
| 185 | V | C | 0.0000 | |
| 186 | K | C | 0.0000 | |
| 187 | F | C | 0.0000 | |
| 188 | A | C | 0.0000 | |
| 189 | A | C | 0.0000 | |
| 190 | F | C | 0.0000 | |
| 191 | V | C | 0.0000 | |
| 192 | A | C | 0.0000 | |
| 193 | Y | C | -0.1448 | |
| 194 | H | C | -0.4755 | |
| 195 | L | C | 0.0000 | |
| 196 | D | C | -1.5049 | |
| 197 | D | C | -2.2349 | |
| 198 | L | C | 0.0000 | |
| 199 | V | C | 0.0000 | |
| 200 | D | C | -1.7392 | |
| 201 | M | C | -0.7781 | |
| 202 | W | C | 0.0000 | |
| 203 | S | C | 0.0000 | |
| 204 | T | C | 0.0000 | |
| 205 | M | C | 0.0000 | |
| 206 | N | C | 0.0000 | |
| 207 | E | C | -0.2727 | |
| 208 | P | C | 0.0000 | |
| 209 | N | C | -0.5435 | |
| 210 | V | C | 0.0000 | |
| 211 | V | C | -0.1083 | |
| 212 | Y | C | 0.0000 | |
| 213 | N | C | -1.0577 | |
| 214 | Q | C | -0.7703 | |
| 215 | G | C | 0.0000 | |
| 216 | Y | C | 0.0000 | |
| 217 | I | C | -0.5500 | |
| 218 | N | C | -0.9924 | |
| 219 | L | C | 0.0000 | |
| 220 | R | C | -2.0625 | |
| 221 | S | C | -1.0302 | |
| 222 | G | C | -0.6107 | |
| 223 | F | C | 0.1149 | |
| 224 | P | C | 0.0000 | |
| 225 | P | C | 0.0000 | |
| 226 | G | C | -0.1728 | |
| 227 | Y | C | -0.1020 | |
| 228 | L | C | 0.0000 | |
| 229 | S | C | -0.9380 | |
| 230 | F | C | -1.4863 | |
| 231 | E | C | -2.6735 | |
| 232 | A | C | 0.0000 | |
| 233 | A | C | 0.0000 | |
| 234 | E | C | -3.0347 | |
| 235 | K | C | -2.5077 | |
| 236 | A | C | 0.0000 | |
| 237 | K | C | -1.2999 | |
| 238 | F | C | -0.4481 | |
| 239 | N | C | 0.0000 | |
| 240 | L | C | 0.0000 | |
| 241 | I | C | 0.0000 | |
| 242 | Q | C | 0.0000 | |
| 243 | A | C | 0.0000 | |
| 244 | H | C | 0.0000 | |
| 245 | I | C | 0.0000 | |
| 246 | G | C | 0.0000 | |
| 247 | A | C | 0.0000 | |
| 248 | Y | C | -0.8279 | |
| 249 | D | C | -1.1854 | |
| 250 | A | C | 0.0000 | |
| 251 | I | C | 0.0000 | |
| 252 | K | C | -3.2729 | |
| 253 | E | C | -3.0964 | |
| 254 | Y | C | -1.6404 | |
| 255 | S | C | 0.0000 | |
| 256 | E | C | -2.9876 | |
| 257 | K | C | -2.0057 | |
| 258 | S | C | -1.1808 | |
| 259 | V | C | 0.0000 | |
| 260 | G | C | 0.0000 | |
| 261 | V | C | 0.0000 | |
| 262 | I | C | 0.0000 | |
| 263 | Y | C | 0.0000 | |
| 264 | A | C | -0.0994 | |
| 265 | F | C | 0.0000 | |
| 266 | A | C | -0.0905 | |
| 267 | W | C | 0.0000 | |
| 268 | H | C | 0.0000 | |
| 269 | D | C | -0.4935 | |
| 270 | P | C | -1.1143 | |
| 271 | L | C | 0.6887 | |
| 272 | A | C | -0.9193 | |
| 273 | E | C | -3.2156 | |
| 274 | E | C | -3.3302 | |
| 275 | Y | C | -2.7427 | |
| 276 | K | C | -4.0948 | |
| 277 | D | C | -4.6549 | |
| 278 | E | C | -4.5038 | |
| 279 | V | C | 0.0000 | |
| 280 | E | C | -4.2906 | |
| 281 | E | C | -4.8152 | |
| 282 | I | C | -3.4379 | |
| 283 | R | C | 0.0000 | |
| 284 | K | C | -4.0873 | |
| 285 | K | C | -4.2140 | |
| 286 | D | C | -3.4919 | |
| 287 | Y | C | 0.0000 | |
| 288 | E | C | -2.4778 | |
| 289 | F | C | 0.0000 | |
| 290 | V | C | 0.0000 | |
| 291 | T | C | -0.9432 | |
| 292 | I | C | -0.1648 | |
| 293 | L | C | 0.0000 | |
| 294 | H | C | -0.9196 | |
| 295 | S | C | -0.6848 | |
| 296 | K | C | -1.0085 | |
| 297 | G | C | -0.9550 | |
| 298 | K | C | -1.1398 | |
| 299 | L | C | -0.6864 | |
| 300 | D | C | -1.0204 | |
| 301 | W | C | 0.0000 | |
| 302 | I | C | 0.0000 | |
| 303 | G | C | 0.0000 | |
| 304 | V | C | 0.0000 | |
| 305 | N | C | 0.0000 | |
| 306 | Y | C | 0.0000 | |
| 307 | Y | C | 0.2857 | |
| 308 | S | C | 0.0000 | |
| 309 | R | C | 0.1470 | |
| 310 | L | C | 0.4934 | |
| 311 | V | C | 0.0000 | |
| 312 | Y | C | 0.0000 | |
| 313 | G | C | 0.0000 | |
| 314 | A | C | -1.3865 | |
| 315 | K | C | -2.7599 | |
| 316 | D | C | -3.1444 | |
| 317 | G | C | -2.3429 | |
| 318 | H | C | -2.3884 | |
| 319 | L | C | -1.2137 | |
| 320 | V | C | -0.2764 | |
| 321 | P | C | 0.3342 | |
| 322 | L | C | 0.6361 | |
| 323 | P | C | -0.2821 | |
| 324 | G | C | -0.8257 | |
| 325 | Y | C | -0.1429 | |
| 326 | G | C | 0.0000 | |
| 327 | F | C | 0.7240 | |
| 328 | M | C | 0.2225 | |
| 329 | S | C | 0.0000 | |
| 330 | E | C | -2.4763 | |
| 331 | R | C | -2.5415 | |
| 332 | G | C | -1.6099 | |
| 333 | G | C | -1.0832 | |
| 334 | F | C | 0.0632 | |
| 335 | A | C | 0.0000 | |
| 336 | K | C | -1.7719 | |
| 337 | S | C | -0.8184 | |
| 338 | G | C | -0.6620 | |
| 339 | R | C | -0.2843 | |
| 340 | P | C | 0.0000 | |
| 341 | A | C | 0.0000 | |
| 342 | S | C | 0.0000 | |
| 343 | D | C | -1.4736 | |
| 344 | F | C | -0.4884 | |
| 345 | G | C | 0.0000 | |
| 346 | W | C | 0.2273 | |
| 347 | E | C | 0.0000 | |
| 348 | M | C | 0.0000 | |
| 349 | Y | C | -0.1240 | |
| 350 | P | C | -0.7353 | |
| 351 | E | C | -1.0123 | |
| 352 | G | C | 0.0000 | |
| 353 | L | C | 0.0000 | |
| 354 | E | C | -1.2180 | |
| 355 | N | C | -1.0292 | |
| 356 | L | C | 0.0000 | |
| 357 | L | C | 0.0000 | |
| 358 | K | C | -1.6830 | |
| 359 | Y | C | -1.0903 | |
| 360 | L | C | 0.0000 | |
| 361 | N | C | -1.8499 | |
| 362 | N | C | -1.9637 | |
| 363 | A | C | -1.3336 | |
| 364 | Y | C | 0.0000 | |
| 365 | E | C | -2.3925 | |
| 366 | L | C | -1.2429 | |
| 367 | P | C | -1.0570 | |
| 368 | M | C | 0.0000 | |
| 369 | I | C | 0.0000 | |
| 370 | I | C | 0.0000 | |
| 371 | T | C | 0.0000 | |
| 372 | E | C | -0.1682 | |
| 373 | N | C | 0.0000 | |
| 374 | G | C | 0.0000 | |
| 375 | M | C | 0.0000 | |
| 376 | A | C | -0.2750 | |
| 377 | D | C | 0.0000 | |
| 378 | A | C | -0.2380 | |
| 379 | A | C | 0.0000 | |
| 380 | D | C | 0.0000 | |
| 381 | R | C | -0.5336 | |
| 382 | Y | C | 0.0000 | |
| 383 | R | C | 0.0000 | |
| 384 | P | C | 0.0000 | |
| 385 | H | C | 0.0000 | |
| 386 | Y | C | 0.0000 | |
| 387 | L | C | 0.0000 | |
| 388 | V | C | 0.0000 | |
| 389 | S | C | 0.0000 | |
| 390 | H | C | 0.0000 | |
| 391 | L | C | 0.0000 | |
| 392 | K | C | -1.1946 | |
| 393 | A | C | 0.0000 | |
| 394 | V | C | 0.0000 | |
| 395 | Y | C | -1.1429 | |
| 396 | N | C | -1.5951 | |
| 397 | A | C | 0.0000 | |
| 398 | M | C | -1.8210 | |
| 399 | K | C | -2.7368 | |
| 400 | E | C | -3.0339 | |
| 401 | G | C | -2.1344 | |
| 402 | A | C | 0.0000 | |
| 403 | D | C | -1.9483 | |
| 404 | V | C | 0.0000 | |
| 405 | R | C | -1.3275 | |
| 406 | G | C | 0.0000 | |
| 407 | Y | C | 0.0000 | |
| 408 | L | C | 0.0000 | |
| 409 | H | C | 0.0000 | |
| 410 | W | C | 0.0000 | |
| 411 | S | C | 0.0000 | |
| 412 | L | C | 0.0000 | |
| 413 | T | C | 0.0000 | |
| 414 | D | C | 0.0000 | |
| 415 | N | C | 0.0000 | |
| 416 | Y | C | 0.0000 | |
| 417 | E | C | -0.7826 | |
| 418 | W | C | 0.0000 | |
| 419 | A | C | -0.6301 | |
| 420 | Q | C | -1.0153 | |
| 421 | G | C | -1.2317 | |
| 422 | F | C | -0.7136 | |
| 423 | R | C | -1.7333 | |
| 424 | M | C | -0.8393 | |
| 425 | R | C | -0.5719 | |
| 426 | F | C | 0.0000 | |
| 427 | G | C | 0.0000 | |
| 428 | L | C | 0.0000 | |
| 429 | V | C | 0.0000 | |
| 430 | Y | C | 0.0000 | |
| 431 | V | C | 0.0000 | |
| 432 | D | C | -1.5692 | |
| 433 | F | C | -1.3153 | |
| 434 | E | C | -2.2280 | |
| 435 | T | C | -1.6131 | |
| 436 | K | C | -1.5515 | |
| 437 | K | C | -2.3196 | |
| 438 | R | C | -1.3628 | |
| 439 | Y | C | -1.1392 | |
| 440 | L | C | -0.3526 | |
| 441 | R | C | 0.0000 | |
| 442 | P | C | 0.0000 | |
| 443 | S | C | 0.0000 | |
| 444 | A | C | 0.0000 | |
| 445 | L | C | 0.0000 | |
| 446 | V | C | 0.0000 | |
| 447 | F | C | -0.1093 | |
| 448 | R | C | -1.0937 | |
| 449 | E | C | -0.7131 | |
| 450 | I | C | 0.0000 | |
| 451 | A | C | 0.0000 | |
| 452 | T | C | -1.4140 | |
| 453 | Q | C | -1.9147 | |
| 454 | K | C | -1.6971 | |
| 455 | E | C | -1.6546 | |
| 456 | I | C | 0.0000 | |
| 457 | P | C | -1.7139 | |
| 458 | E | C | -2.3591 | |
| 459 | E | C | -1.8128 | |
| 460 | L | C | 0.0000 | |
| 461 | A | C | -1.3084 | |
| 462 | H | C | -1.2317 | |
| 463 | L | C | 0.0000 | |
| 464 | A | C | -1.2643 | |
| 465 | D | C | -2.2283 | |
| 466 | L | C | 0.0000 | |
| 467 | K | C | -1.7258 | |
| 468 | F | C | -0.1675 | |
| 469 | V | C | 0.0000 | |
| 470 | T | C | -0.3682 | |
| 1 | A | D | -0.6601 | |
| 2 | K | D | -1.5312 | |
| 3 | F | D | 0.0000 | |
| 4 | P | D | -1.7718 | |
| 5 | K | D | -2.6155 | |
| 6 | N | D | -2.4927 | |
| 7 | F | D | 0.0000 | |
| 8 | M | D | 0.0000 | |
| 9 | F | D | 0.0000 | |
| 10 | G | D | 0.0000 | |
| 11 | Y | D | 0.0000 | |
| 12 | S | D | 0.0000 | |
| 13 | W | D | 0.0000 | |
| 14 | S | D | 0.0000 | |
| 15 | G | D | 0.0000 | |
| 16 | F | D | 0.0000 | |
| 17 | Q | D | 0.0000 | |
| 18 | F | D | 0.0000 | |
| 19 | E | D | 0.0000 | |
| 20 | M | D | 0.0000 | |
| 21 | G | D | -1.0511 | |
| 22 | L | D | -0.3721 | |
| 23 | P | D | -0.9151 | |
| 24 | G | D | -1.0116 | |
| 25 | S | D | 0.0000 | |
| 26 | E | D | -2.5291 | |
| 27 | V | D | 0.0000 | |
| 28 | E | D | -1.9449 | |
| 29 | S | D | 0.0000 | |
| 30 | D | D | 0.0000 | |
| 31 | W | D | 0.0000 | |
| 32 | W | D | -0.4824 | |
| 33 | V | D | 0.0093 | |
| 34 | W | D | 0.0000 | |
| 35 | V | D | 0.0000 | |
| 36 | H | D | -1.3321 | |
| 37 | D | D | -1.2775 | |
| 38 | K | D | -1.9821 | |
| 39 | E | D | -1.2435 | |
| 40 | N | D | 0.0000 | |
| 41 | I | D | -0.5611 | |
| 42 | A | D | -0.3407 | |
| 43 | S | D | 0.0000 | |
| 44 | G | D | -0.6424 | |
| 45 | L | D | 0.0000 | |
| 46 | V | D | 0.0000 | |
| 47 | S | D | -0.4809 | |
| 48 | G | D | -0.9841 | |
| 49 | D | D | -1.0927 | |
| 50 | L | D | -1.0543 | |
| 51 | P | D | 0.0000 | |
| 52 | E | D | -2.0209 | |
| 53 | N | D | -1.5504 | |
| 54 | G | D | 0.0000 | |
| 55 | P | D | 0.0000 | |
| 56 | A | D | 0.0000 | |
| 57 | Y | D | 0.0000 | |
| 58 | W | D | 0.0000 | |
| 59 | H | D | -0.4760 | |
| 60 | L | D | -0.4368 | |
| 61 | Y | D | 0.0000 | |
| 62 | K | D | -2.0033 | |
| 63 | Q | D | -1.8904 | |
| 64 | D | D | 0.0000 | |
| 65 | H | D | 0.0000 | |
| 66 | D | D | -1.9494 | |
| 67 | I | D | -1.3292 | |
| 68 | A | D | 0.0000 | |
| 69 | E | D | -2.0937 | |
| 70 | K | D | -2.2486 | |
| 71 | L | D | 0.0000 | |
| 72 | G | D | -1.4773 | |
| 73 | M | D | 0.0000 | |
| 74 | D | D | -1.4479 | |
| 75 | C | D | 0.0000 | |
| 76 | I | D | 0.0000 | |
| 77 | R | D | 0.0000 | |
| 78 | G | D | 0.0000 | |
| 79 | G | D | 0.0000 | |
| 80 | I | D | 0.0000 | |
| 81 | E | D | 0.0000 | |
| 82 | W | D | 0.0000 | |
| 83 | A | D | 0.0000 | |
| 84 | R | D | 0.0000 | |
| 85 | I | D | 0.0000 | |
| 86 | F | D | 0.0000 | |
| 87 | P | D | -1.4078 | |
| 88 | K | D | -1.8853 | |
| 89 | P | D | -0.8471 | |
| 90 | T | D | 0.0000 | |
| 91 | F | D | -0.6220 | |
| 92 | D | D | -1.9165 | |
| 93 | V | D | 0.0000 | |
| 94 | K | D | -2.4156 | |
| 95 | V | D | -1.8758 | |
| 96 | D | D | -3.0056 | |
| 97 | V | D | -1.8280 | |
| 98 | E | D | -2.6820 | |
| 99 | K | D | -3.2474 | |
| 100 | D | D | -3.3192 | |
| 101 | E | D | -3.6265 | |
| 102 | E | D | -3.3398 | |
| 103 | G | D | -2.1663 | |
| 104 | N | D | 0.0000 | |
| 105 | I | D | 0.0000 | |
| 106 | I | D | 0.4851 | |
| 107 | S | D | -0.7333 | |
| 108 | V | D | -1.5416 | |
| 109 | D | D | -2.8438 | |
| 110 | V | D | 0.0000 | |
| 111 | P | D | -2.0935 | |
| 112 | E | D | -2.6085 | |
| 113 | S | D | -2.0376 | |
| 114 | T | D | 0.0000 | |
| 115 | I | D | 0.0000 | |
| 116 | K | D | -3.2481 | |
| 117 | E | D | -3.1373 | |
| 118 | L | D | 0.0000 | |
| 119 | E | D | -2.0529 | |
| 120 | K | D | -2.6212 | |
| 121 | I | D | -1.6548 | |
| 122 | A | D | 0.0000 | |
| 123 | N | D | -1.6124 | |
| 124 | M | D | -1.5136 | |
| 125 | E | D | -2.4846 | |
| 126 | A | D | -1.7153 | |
| 127 | L | D | 0.0000 | |
| 128 | E | D | -2.9894 | |
| 129 | H | D | -2.0275 | |
| 130 | Y | D | 0.0000 | |
| 131 | R | D | -1.9075 | |
| 132 | K | D | -2.1735 | |
| 133 | I | D | 0.0000 | |
| 134 | Y | D | 0.0000 | |
| 135 | S | D | -1.7798 | |
| 136 | D | D | -1.9176 | |
| 137 | W | D | 0.0000 | |
| 138 | K | D | -2.2339 | |
| 139 | E | D | -2.6675 | |
| 140 | R | D | -2.1865 | |
| 141 | G | D | -1.8008 | |
| 142 | K | D | -1.8206 | |
| 143 | T | D | -1.2620 | |
| 144 | F | D | 0.0000 | |
| 145 | I | D | 0.0000 | |
| 146 | L | D | 0.0000 | |
| 147 | N | D | 0.0000 | |
| 148 | L | D | 0.0000 | |
| 149 | Y | D | 0.0000 | |
| 150 | H | D | 0.0000 | |
| 151 | W | D | 0.1424 | |
| 152 | P | D | 0.0000 | |
| 153 | L | D | 0.0000 | |
| 154 | P | D | 0.0000 | |
| 155 | L | D | 0.0813 | |
| 156 | W | D | -0.1397 | |
| 157 | I | D | 0.0000 | |
| 158 | H | D | 0.0000 | |
| 159 | D | D | -0.3844 | |
| 160 | P | D | 0.0000 | |
| 161 | I | D | 0.0800 | |
| 162 | A | D | -0.6603 | |
| 163 | V | D | 0.0000 | |
| 164 | R | D | -0.5674 | |
| 165 | K | D | -1.0897 | |
| 166 | L | D | -0.9251 | |
| 167 | G | D | 0.0000 | |
| 168 | P | D | -1.3136 | |
| 169 | D | D | -2.0535 | |
| 170 | R | D | -1.4835 | |
| 171 | A | D | -1.0616 | |
| 172 | P | D | -0.8057 | |
| 173 | A | D | -1.0282 | |
| 174 | G | D | 0.0000 | |
| 175 | W | D | 0.0000 | |
| 176 | L | D | 0.0000 | |
| 177 | D | D | -2.4069 | |
| 178 | E | D | -2.3221 | |
| 179 | K | D | -2.2197 | |
| 180 | T | D | 0.0000 | |
| 181 | V | D | 0.0000 | |
| 182 | V | D | -0.5939 | |
| 183 | E | D | 0.0000 | |
| 184 | F | D | 0.0000 | |
| 185 | V | D | 0.0000 | |
| 186 | K | D | 0.0000 | |
| 187 | F | D | 0.0000 | |
| 188 | A | D | 0.0000 | |
| 189 | A | D | 0.0000 | |
| 190 | F | D | 0.0000 | |
| 191 | V | D | 0.0000 | |
| 192 | A | D | 0.0000 | |
| 193 | Y | D | 0.0576 | |
| 194 | H | D | -0.3978 | |
| 195 | L | D | 0.0000 | |
| 196 | D | D | -1.5386 | |
| 197 | D | D | -2.0072 | |
| 198 | L | D | -1.3548 | |
| 199 | V | D | 0.0000 | |
| 200 | D | D | -1.7883 | |
| 201 | M | D | 0.0000 | |
| 202 | W | D | 0.0000 | |
| 203 | S | D | 0.0000 | |
| 204 | T | D | 0.0000 | |
| 205 | M | D | 0.0000 | |
| 206 | N | D | 0.0000 | |
| 207 | E | D | -0.2358 | |
| 208 | P | D | 0.0000 | |
| 209 | N | D | -0.7211 | |
| 210 | V | D | -0.4052 | |
| 211 | V | D | 0.0000 | |
| 212 | Y | D | 0.0000 | |
| 213 | N | D | -1.6974 | |
| 214 | Q | D | -0.8132 | |
| 215 | G | D | 0.0000 | |
| 216 | Y | D | 0.0000 | |
| 217 | I | D | -0.4231 | |
| 218 | N | D | -0.6304 | |
| 219 | L | D | 0.0000 | |
| 220 | R | D | -1.5994 | |
| 221 | S | D | -0.7785 | |
| 222 | G | D | 0.0000 | |
| 223 | F | D | 0.0359 | |
| 224 | P | D | 0.0000 | |
| 225 | P | D | 0.0000 | |
| 226 | G | D | 0.0000 | |
| 227 | Y | D | 0.0360 | |
| 228 | L | D | 0.0000 | |
| 229 | S | D | 0.0000 | |
| 230 | F | D | -1.3894 | |
| 231 | E | D | -2.5548 | |
| 232 | A | D | -1.9333 | |
| 233 | A | D | 0.0000 | |
| 234 | E | D | -3.3943 | |
| 235 | K | D | -3.1107 | |
| 236 | A | D | 0.0000 | |
| 237 | K | D | -1.7647 | |
| 238 | F | D | -0.7826 | |
| 239 | N | D | 0.0000 | |
| 240 | L | D | 0.0000 | |
| 241 | I | D | 0.1620 | |
| 242 | Q | D | 0.0000 | |
| 243 | A | D | 0.0000 | |
| 244 | H | D | 0.0000 | |
| 245 | I | D | 0.0000 | |
| 246 | G | D | 0.0000 | |
| 247 | A | D | 0.0000 | |
| 248 | Y | D | -0.5189 | |
| 249 | D | D | -0.7434 | |
| 250 | A | D | 0.0000 | |
| 251 | I | D | 0.0000 | |
| 252 | K | D | -1.4310 | |
| 253 | E | D | -1.3727 | |
| 254 | Y | D | -0.8080 | |
| 255 | S | D | -1.5340 | |
| 256 | E | D | -2.2793 | |
| 257 | K | D | -1.7728 | |
| 258 | S | D | -1.1194 | |
| 259 | V | D | 0.0000 | |
| 260 | G | D | 0.0000 | |
| 261 | V | D | 0.0000 | |
| 262 | I | D | 0.0000 | |
| 263 | Y | D | 0.0000 | |
| 264 | A | D | -0.0833 | |
| 265 | F | D | 0.0000 | |
| 266 | A | D | 0.0302 | |
| 267 | W | D | 0.0000 | |
| 268 | H | D | 0.0000 | |
| 269 | D | D | -0.3676 | |
| 270 | P | D | -1.3800 | |
| 271 | L | D | -0.0544 | |
| 272 | A | D | -1.5544 | |
| 273 | E | D | -3.5523 | |
| 274 | E | D | -3.4910 | |
| 275 | Y | D | -2.9964 | |
| 276 | K | D | -4.2841 | |
| 277 | D | D | -4.7066 | |
| 278 | E | D | -4.3449 | |
| 279 | V | D | 0.0000 | |
| 280 | E | D | -4.1309 | |
| 281 | E | D | -4.5600 | |
| 282 | I | D | -3.4250 | |
| 283 | R | D | 0.0000 | |
| 284 | K | D | -4.0495 | |
| 285 | K | D | -4.1163 | |
| 286 | D | D | -3.0076 | |
| 287 | Y | D | 0.0000 | |
| 288 | E | D | -2.9959 | |
| 289 | F | D | 0.0000 | |
| 290 | V | D | 0.0000 | |
| 291 | T | D | -1.3833 | |
| 292 | I | D | -0.3698 | |
| 293 | L | D | 0.0000 | |
| 294 | H | D | -0.9866 | |
| 295 | S | D | -0.8160 | |
| 296 | K | D | -1.0703 | |
| 297 | G | D | -1.2497 | |
| 298 | K | D | -1.1184 | |
| 299 | L | D | 0.0000 | |
| 300 | D | D | -0.8643 | |
| 301 | W | D | 0.0000 | |
| 302 | I | D | 0.0000 | |
| 303 | G | D | 0.0000 | |
| 304 | V | D | 0.0000 | |
| 305 | N | D | 0.0000 | |
| 306 | Y | D | 0.0000 | |
| 307 | Y | D | 0.2960 | |
| 308 | S | D | 0.0000 | |
| 309 | R | D | 0.0000 | |
| 310 | L | D | 0.5030 | |
| 311 | V | D | 0.0000 | |
| 312 | Y | D | 0.0000 | |
| 313 | G | D | 0.0000 | |
| 314 | A | D | -1.7590 | |
| 315 | K | D | -2.8074 | |
| 316 | D | D | -3.0745 | |
| 317 | G | D | -2.4956 | |
| 318 | H | D | -1.7552 | |
| 319 | L | D | -1.1287 | |
| 320 | V | D | 0.0069 | |
| 321 | P | D | 0.2573 | |
| 322 | L | D | 0.1842 | |
| 323 | P | D | -0.4170 | |
| 324 | G | D | -0.7214 | |
| 325 | Y | D | -0.2091 | |
| 326 | G | D | 0.0000 | |
| 327 | F | D | 0.4502 | |
| 328 | M | D | -0.0476 | |
| 329 | S | D | -1.0681 | |
| 330 | E | D | -2.5520 | |
| 331 | R | D | -2.5736 | |
| 332 | G | D | -1.6258 | |
| 333 | G | D | -0.9498 | |
| 334 | F | D | -0.0965 | |
| 335 | A | D | -0.9261 | |
| 336 | K | D | -1.8009 | |
| 337 | S | D | -0.8237 | |
| 338 | G | D | -0.4899 | |
| 339 | R | D | 0.0000 | |
| 340 | P | D | 0.0000 | |
| 341 | A | D | 0.0000 | |
| 342 | S | D | 0.0000 | |
| 343 | D | D | -1.3994 | |
| 344 | F | D | -0.6043 | |
| 345 | G | D | 0.0000 | |
| 346 | W | D | 0.1293 | |
| 347 | E | D | 0.0000 | |
| 348 | M | D | 0.0000 | |
| 349 | Y | D | 0.0512 | |
| 350 | P | D | 0.0000 | |
| 351 | E | D | -0.9779 | |
| 352 | G | D | 0.0000 | |
| 353 | L | D | 0.0000 | |
| 354 | E | D | -1.7657 | |
| 355 | N | D | -1.3050 | |
| 356 | L | D | 0.0000 | |
| 357 | L | D | 0.0000 | |
| 358 | K | D | -2.5470 | |
| 359 | Y | D | -1.4667 | |
| 360 | L | D | 0.0000 | |
| 361 | N | D | -2.5304 | |
| 362 | N | D | -2.1583 | |
| 363 | A | D | -1.4279 | |
| 364 | Y | D | 0.0000 | |
| 365 | E | D | -2.6429 | |
| 366 | L | D | -1.3335 | |
| 367 | P | D | -1.4473 | |
| 368 | M | D | 0.0000 | |
| 369 | I | D | 0.0000 | |
| 370 | I | D | 0.0000 | |
| 371 | T | D | 0.0000 | |
| 372 | E | D | -0.1753 | |
| 373 | N | D | 0.0000 | |
| 374 | G | D | 0.0000 | |
| 375 | M | D | 0.0000 | |
| 376 | A | D | 0.0000 | |
| 377 | D | D | 0.0000 | |
| 378 | A | D | -0.2786 | |
| 379 | A | D | -0.2559 | |
| 380 | D | D | -0.5209 | |
| 381 | R | D | -0.7937 | |
| 382 | Y | D | 0.0000 | |
| 383 | R | D | 0.0000 | |
| 384 | P | D | 0.0000 | |
| 385 | H | D | 0.0000 | |
| 386 | Y | D | 0.0000 | |
| 387 | L | D | 0.0000 | |
| 388 | V | D | 0.0000 | |
| 389 | S | D | 0.0000 | |
| 390 | H | D | 0.0000 | |
| 391 | L | D | 0.0000 | |
| 392 | K | D | -1.6508 | |
| 393 | A | D | 0.0000 | |
| 394 | V | D | 0.0000 | |
| 395 | Y | D | -1.4600 | |
| 396 | N | D | -2.2763 | |
| 397 | A | D | 0.0000 | |
| 398 | M | D | -2.5833 | |
| 399 | K | D | -3.0158 | |
| 400 | E | D | -3.4913 | |
| 401 | G | D | -2.9769 | |
| 402 | A | D | 0.0000 | |
| 403 | D | D | -2.8839 | |
| 404 | V | D | 0.0000 | |
| 405 | R | D | -1.8980 | |
| 406 | G | D | 0.0000 | |
| 407 | Y | D | 0.0000 | |
| 408 | L | D | 0.0000 | |
| 409 | H | D | 0.0000 | |
| 410 | W | D | 0.0000 | |
| 411 | S | D | 0.0000 | |
| 412 | L | D | 0.0000 | |
| 413 | T | D | 0.0000 | |
| 414 | D | D | 0.0000 | |
| 415 | N | D | 0.0000 | |
| 416 | Y | D | 0.0000 | |
| 417 | E | D | -0.4979 | |
| 418 | W | D | -0.1081 | |
| 419 | A | D | -0.2285 | |
| 420 | Q | D | -0.7944 | |
| 421 | G | D | 0.0000 | |
| 422 | F | D | -0.6879 | |
| 423 | R | D | -1.2755 | |
| 424 | M | D | 0.0000 | |
| 425 | R | D | 0.0000 | |
| 426 | F | D | 0.0000 | |
| 427 | G | D | 0.0000 | |
| 428 | L | D | 0.0000 | |
| 429 | V | D | 0.0000 | |
| 430 | Y | D | -0.3216 | |
| 431 | V | D | 0.0000 | |
| 432 | D | D | -1.3952 | |
| 433 | F | D | 0.0000 | |
| 434 | E | D | -2.3065 | |
| 435 | T | D | -1.5169 | |
| 436 | K | D | -1.4015 | |
| 437 | K | D | -1.9836 | |
| 438 | R | D | -1.2810 | |
| 439 | Y | D | -1.1990 | |
| 440 | L | D | -0.3839 | |
| 441 | R | D | 0.0000 | |
| 442 | P | D | 0.0000 | |
| 443 | S | D | 0.0000 | |
| 444 | A | D | 0.0000 | |
| 445 | L | D | 0.0000 | |
| 446 | V | D | 0.0000 | |
| 447 | F | D | 0.0000 | |
| 448 | R | D | -1.2198 | |
| 449 | E | D | -0.9638 | |
| 450 | I | D | 0.0000 | |
| 451 | A | D | 0.0000 | |
| 452 | T | D | -1.4770 | |
| 453 | Q | D | -1.7566 | |
| 454 | K | D | -1.8431 | |
| 455 | E | D | -1.6598 | |
| 456 | I | D | -1.1139 | |
| 457 | P | D | -1.4891 | |
| 458 | E | D | -2.1603 | |
| 459 | E | D | -1.7433 | |
| 460 | L | D | 0.0000 | |
| 461 | A | D | -1.3964 | |
| 462 | H | D | 0.0000 | |
| 463 | L | D | 0.0000 | |
| 464 | A | D | -1.5006 | |
| 465 | D | D | -2.1868 | |
| 466 | L | D | 0.0000 | |
| 467 | K | D | -1.9156 | |
| 468 | F | D | -0.5403 | |
| 469 | V | D | 0.0000 | |
| 470 | T | D | -0.3364 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.6116 | 2.7528 | View | CSV | PDB |
| 4.5 | -0.6886 | 2.6674 | View | CSV | PDB |
| 5.0 | -0.7859 | 2.5683 | View | CSV | PDB |
| 5.5 | -0.8851 | 2.4848 | View | CSV | PDB |
| 6.0 | -0.9654 | 2.4541 | View | CSV | PDB |
| 6.5 | -1.0106 | 2.5049 | View | CSV | PDB |
| 7.0 | -1.0182 | 2.6284 | View | CSV | PDB |
| 7.5 | -0.9988 | 2.792 | View | CSV | PDB |
| 8.0 | -0.9646 | 2.9717 | View | CSV | PDB |
| 8.5 | -0.921 | 3.1564 | View | CSV | PDB |
| 9.0 | -0.8687 | 3.3411 | 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