| Chain sequence(s) |
A: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR
C: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR B: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR D: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR input PDB |
| Selected Chain(s) | A,C,B,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[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 (00:53:57)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/68e6c33d7a1e1f3/tmp/folded.pdb (00:53:57)
[INFO] Main: Simulation completed successfully. (01:40:39)
|
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 | -1.2601 | |
| 2 | K | A | -2.3961 | |
| 3 | F | A | 0.0000 | |
| 4 | P | A | -1.9615 | |
| 5 | K | A | -2.7607 | |
| 6 | N | A | -2.4542 | |
| 7 | F | A | 0.0000 | |
| 8 | M | A | -0.9808 | |
| 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 | -0.0995 | |
| 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 | -1.4003 | |
| 22 | L | A | -0.6084 | |
| 23 | P | A | -0.9422 | |
| 24 | G | A | -1.0383 | |
| 25 | S | A | 0.0000 | |
| 26 | E | A | -1.7504 | |
| 27 | V | A | -1.2222 | |
| 28 | E | A | -1.7998 | |
| 29 | S | A | 0.0000 | |
| 30 | D | A | 0.0000 | |
| 31 | W | A | 0.0000 | |
| 32 | W | A | -0.1241 | |
| 33 | V | A | 0.0981 | |
| 34 | W | A | 0.0000 | |
| 35 | V | A | 0.2433 | |
| 36 | H | A | -0.2264 | |
| 37 | D | A | -0.7139 | |
| 38 | K | A | -1.3867 | |
| 39 | E | A | -0.7040 | |
| 40 | N | A | 0.0000 | |
| 41 | I | A | 0.6906 | |
| 42 | A | A | 0.2262 | |
| 43 | S | A | 0.0000 | |
| 44 | G | A | -0.0738 | |
| 45 | L | A | 0.0000 | |
| 46 | V | A | 0.2775 | |
| 47 | S | A | -0.0188 | |
| 48 | G | A | -0.1750 | |
| 49 | D | A | -0.9851 | |
| 50 | L | A | -0.2962 | |
| 51 | P | A | 0.0000 | |
| 52 | E | A | -2.2468 | |
| 53 | N | A | -2.1350 | |
| 54 | G | A | 0.0000 | |
| 55 | P | A | 0.0000 | |
| 56 | A | A | 0.0000 | |
| 57 | Y | A | 0.0000 | |
| 58 | W | A | 0.0000 | |
| 59 | H | A | -0.8561 | |
| 60 | L | A | -0.5401 | |
| 61 | Y | A | 0.0000 | |
| 62 | K | A | -2.7606 | |
| 63 | Q | A | -2.5251 | |
| 64 | D | A | 0.0000 | |
| 65 | H | A | 0.0000 | |
| 66 | D | A | -3.3126 | |
| 67 | I | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | E | A | -2.8528 | |
| 70 | K | A | -2.5453 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | -1.8375 | |
| 73 | M | A | 0.0000 | |
| 74 | D | A | -0.9516 | |
| 75 | C | A | 0.0000 | |
| 76 | I | A | 0.0000 | |
| 77 | R | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | G | A | 0.0000 | |
| 80 | I | A | 0.0000 | |
| 81 | E | A | -0.2488 | |
| 82 | W | A | 0.0000 | |
| 83 | A | A | -0.7662 | |
| 84 | R | A | -1.0020 | |
| 85 | I | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | P | A | -1.2650 | |
| 88 | K | A | -1.3727 | |
| 89 | P | A | -0.8332 | |
| 90 | T | A | 0.0000 | |
| 91 | F | A | -1.0650 | |
| 92 | D | A | -2.1209 | |
| 93 | V | A | -1.7779 | |
| 94 | K | A | -2.4081 | |
| 95 | V | A | -1.8714 | |
| 96 | D | A | -2.9401 | |
| 97 | V | A | -1.8862 | |
| 98 | E | A | -2.5900 | |
| 99 | K | A | -3.0802 | |
| 100 | D | A | -3.4800 | |
| 101 | E | A | -3.7299 | |
| 102 | E | A | -3.4951 | |
| 103 | G | A | -2.6105 | |
| 104 | N | A | -1.6603 | |
| 105 | I | A | -0.5659 | |
| 106 | I | A | 0.6948 | |
| 107 | S | A | -0.4649 | |
| 108 | V | A | -1.1930 | |
| 109 | D | A | -2.6357 | |
| 110 | V | A | -1.9234 | |
| 111 | P | A | -1.9765 | |
| 112 | E | A | -2.4353 | |
| 113 | S | A | -1.9810 | |
| 114 | T | A | -1.9243 | |
| 115 | I | A | 0.0000 | |
| 116 | K | A | -2.8599 | |
| 117 | E | A | -3.2898 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -1.9916 | |
| 120 | K | A | -2.5118 | |
| 121 | I | A | -1.5513 | |
| 122 | A | A | 0.0000 | |
| 123 | N | A | -1.6630 | |
| 124 | M | A | -1.4090 | |
| 125 | E | A | -2.4332 | |
| 126 | A | A | -1.5890 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -2.6009 | |
| 129 | H | A | -1.9746 | |
| 130 | Y | A | 0.0000 | |
| 131 | R | A | -2.2539 | |
| 132 | K | A | -2.1986 | |
| 133 | I | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | S | A | -1.6490 | |
| 136 | D | A | 0.0000 | |
| 137 | W | A | 0.0000 | |
| 138 | K | A | -2.1880 | |
| 139 | E | A | -2.5331 | |
| 140 | R | A | -2.0462 | |
| 141 | G | A | -1.7513 | |
| 142 | K | A | -1.5388 | |
| 143 | T | A | -0.6239 | |
| 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 | -0.1670 | |
| 151 | W | A | 0.0000 | |
| 152 | P | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | L | A | -0.2388 | |
| 156 | W | A | -0.2022 | |
| 157 | I | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | D | A | -0.1577 | |
| 160 | P | A | 0.0000 | |
| 161 | I | A | 0.0798 | |
| 162 | A | A | -0.3989 | |
| 163 | V | A | 0.0000 | |
| 164 | R | A | 0.0000 | |
| 165 | K | A | -0.5158 | |
| 166 | L | A | -0.9683 | |
| 167 | G | A | 0.0000 | |
| 168 | P | A | -1.5934 | |
| 169 | D | A | -2.6050 | |
| 170 | R | A | -2.6212 | |
| 171 | A | A | 0.0000 | |
| 172 | P | A | -0.8584 | |
| 173 | A | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | W | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | D | A | -2.1049 | |
| 178 | E | A | -2.7569 | |
| 179 | K | A | -2.1396 | |
| 180 | T | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | V | A | -0.9377 | |
| 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 | -1.0081 | |
| 194 | H | A | -1.3931 | |
| 195 | L | A | 0.0000 | |
| 196 | D | A | -2.0678 | |
| 197 | D | A | -2.3619 | |
| 198 | L | A | -1.4339 | |
| 199 | V | A | 0.0000 | |
| 200 | D | A | -0.9474 | |
| 201 | M | A | -0.7385 | |
| 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 | -0.1700 | |
| 208 | P | A | 0.0000 | |
| 209 | N | A | -0.5518 | |
| 210 | V | A | -0.1782 | |
| 211 | V | A | -0.1960 | |
| 212 | Y | A | 0.0000 | |
| 213 | N | A | -0.9356 | |
| 214 | Q | A | -0.8973 | |
| 215 | G | A | 0.0000 | |
| 216 | Y | A | 0.0000 | |
| 217 | I | A | -0.3924 | |
| 218 | N | A | -0.5353 | |
| 219 | L | A | 0.0000 | |
| 220 | R | A | -1.0579 | |
| 221 | S | A | -0.5776 | |
| 222 | G | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | G | A | -0.2422 | |
| 227 | Y | A | 0.0000 | |
| 228 | L | A | 0.0000 | |
| 229 | S | A | 0.0000 | |
| 230 | F | A | -0.5822 | |
| 231 | E | A | -2.2050 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | E | A | -2.3021 | |
| 235 | K | A | -2.0039 | |
| 236 | A | A | 0.0000 | |
| 237 | K | A | -0.7813 | |
| 238 | F | A | 0.7194 | |
| 239 | N | A | -0.3790 | |
| 240 | L | A | 0.0000 | |
| 241 | I | A | 0.0000 | |
| 242 | Q | A | 0.1216 | |
| 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 | 0.0000 | |
| 249 | D | A | -1.4002 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | K | A | -3.1311 | |
| 253 | E | A | -2.9680 | |
| 254 | Y | A | -2.0592 | |
| 255 | S | A | 0.0000 | |
| 256 | E | A | -3.1225 | |
| 257 | K | A | -2.5945 | |
| 258 | S | A | -1.4423 | |
| 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 | -0.0443 | |
| 265 | F | A | 0.0000 | |
| 266 | A | A | -0.0761 | |
| 267 | W | A | 0.0000 | |
| 268 | H | A | 0.0000 | |
| 269 | D | A | -0.4022 | |
| 270 | P | A | -1.2544 | |
| 271 | L | A | 0.1673 | |
| 272 | A | A | -1.2565 | |
| 273 | E | A | -3.1773 | |
| 274 | E | A | -3.3869 | |
| 275 | Y | A | -2.7656 | |
| 276 | K | A | -4.1803 | |
| 277 | D | A | -4.3157 | |
| 278 | E | A | -3.5141 | |
| 279 | V | A | 0.0000 | |
| 280 | E | A | -3.8044 | |
| 281 | E | A | -3.8072 | |
| 282 | I | A | -2.6786 | |
| 283 | R | A | 0.0000 | |
| 284 | K | A | -3.9531 | |
| 285 | K | A | -3.9807 | |
| 286 | D | A | -3.2100 | |
| 287 | Y | A | 0.0000 | |
| 288 | E | A | -3.0483 | |
| 289 | F | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | T | A | -1.3522 | |
| 292 | I | A | -0.6102 | |
| 293 | L | A | 0.0000 | |
| 294 | H | A | -1.4270 | |
| 295 | S | A | -1.1999 | |
| 296 | K | A | -2.1186 | |
| 297 | G | A | -1.6185 | |
| 298 | K | A | -1.4668 | |
| 299 | L | A | 0.0000 | |
| 300 | D | A | -0.7500 | |
| 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 | 0.2908 | |
| 308 | S | A | 0.0000 | |
| 309 | R | A | 0.0918 | |
| 310 | L | A | 0.4424 | |
| 311 | V | A | 0.0000 | |
| 312 | Y | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | A | A | -1.3420 | |
| 315 | K | A | -2.7293 | |
| 316 | D | A | -3.0432 | |
| 317 | G | A | -2.2699 | |
| 318 | H | A | -1.6778 | |
| 319 | L | A | -0.8978 | |
| 320 | V | A | -0.7183 | |
| 321 | P | A | -0.1313 | |
| 322 | L | A | 0.0000 | |
| 323 | P | A | -0.4355 | |
| 324 | G | A | -0.6986 | |
| 325 | Y | A | -0.1832 | |
| 326 | G | A | 0.0000 | |
| 327 | F | A | 0.4946 | |
| 328 | M | A | 0.0509 | |
| 329 | S | A | -1.1168 | |
| 330 | E | A | -2.6236 | |
| 331 | R | A | -2.6321 | |
| 332 | G | A | -1.6639 | |
| 333 | G | A | -0.9696 | |
| 334 | F | A | -0.7429 | |
| 335 | A | A | 0.0000 | |
| 336 | K | A | -2.0033 | |
| 337 | S | A | -1.0491 | |
| 338 | G | A | -1.2097 | |
| 339 | R | A | -0.9230 | |
| 340 | P | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | D | A | -1.6563 | |
| 344 | F | A | -0.6465 | |
| 345 | G | A | 0.0000 | |
| 346 | W | A | 0.0601 | |
| 347 | E | A | 0.0000 | |
| 348 | M | A | 0.0000 | |
| 349 | Y | A | -0.0357 | |
| 350 | P | A | 0.0000 | |
| 351 | E | A | -1.3098 | |
| 352 | G | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -1.8032 | |
| 355 | N | A | -1.5676 | |
| 356 | L | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | K | A | -2.4086 | |
| 359 | Y | A | -1.1568 | |
| 360 | L | A | 0.0000 | |
| 361 | N | A | -2.1054 | |
| 362 | N | A | -1.9612 | |
| 363 | A | A | -1.1359 | |
| 364 | Y | A | -1.1104 | |
| 365 | E | A | -2.3716 | |
| 366 | L | A | -1.2097 | |
| 367 | P | A | -0.9702 | |
| 368 | M | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | E | A | -0.1043 | |
| 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 | 0.0399 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | 0.0000 | |
| 381 | R | A | -0.3788 | |
| 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 | -0.7226 | |
| 393 | A | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | Y | A | -0.8431 | |
| 396 | N | A | -1.9389 | |
| 397 | A | A | 0.0000 | |
| 398 | M | A | -2.0370 | |
| 399 | K | A | -2.8965 | |
| 400 | E | A | -3.2260 | |
| 401 | G | A | -2.6179 | |
| 402 | A | A | 0.0000 | |
| 403 | D | A | -2.0482 | |
| 404 | V | A | 0.0000 | |
| 405 | R | A | -1.6744 | |
| 406 | G | A | 0.0000 | |
| 407 | Y | A | 0.0000 | |
| 408 | L | A | 0.0000 | |
| 409 | H | A | 0.0000 | |
| 410 | W | A | 0.0583 | |
| 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 | -0.5375 | |
| 418 | W | A | 0.0191 | |
| 419 | A | A | -0.2437 | |
| 420 | Q | A | -0.6688 | |
| 421 | G | A | 0.0000 | |
| 422 | F | A | -0.9137 | |
| 423 | R | A | -1.9576 | |
| 424 | M | A | 0.0000 | |
| 425 | R | A | -0.6444 | |
| 426 | F | A | 0.0000 | |
| 427 | G | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | Y | A | -0.1797 | |
| 431 | V | A | 0.0000 | |
| 432 | D | A | -1.6114 | |
| 433 | F | A | 0.0000 | |
| 434 | E | A | -2.5892 | |
| 435 | T | A | -1.9087 | |
| 436 | K | A | -1.9742 | |
| 437 | K | A | -2.5283 | |
| 438 | R | A | -1.4243 | |
| 439 | Y | A | -0.8005 | |
| 440 | L | A | 0.1717 | |
| 441 | R | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | S | A | 0.0000 | |
| 444 | A | A | 0.0000 | |
| 445 | L | A | -0.2400 | |
| 446 | V | A | 0.0000 | |
| 447 | F | A | 0.0000 | |
| 448 | R | A | -1.8173 | |
| 449 | E | A | -1.5365 | |
| 450 | I | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | T | A | -1.7212 | |
| 453 | Q | A | -2.1338 | |
| 454 | K | A | -2.1258 | |
| 455 | E | A | -1.8621 | |
| 456 | I | A | -1.3327 | |
| 457 | P | A | -1.4871 | |
| 458 | E | A | -2.2019 | |
| 459 | E | A | -1.7441 | |
| 460 | L | A | 0.0000 | |
| 461 | A | A | -1.3785 | |
| 462 | H | A | -1.4023 | |
| 463 | L | A | 0.0000 | |
| 464 | A | A | 0.0000 | |
| 465 | D | A | -2.1883 | |
| 466 | L | A | -1.6595 | |
| 467 | K | A | -2.2677 | |
| 468 | F | A | -1.1140 | |
| 469 | V | A | 0.0000 | |
| 470 | T | A | -1.5027 | |
| 471 | R | A | -2.2077 | |
| 1 | A | B | -0.9484 | |
| 2 | K | B | -2.3874 | |
| 3 | F | B | -1.6460 | |
| 4 | P | B | -2.0268 | |
| 5 | K | B | -2.8078 | |
| 6 | N | B | -2.3434 | |
| 7 | F | B | 0.0000 | |
| 8 | M | B | -1.0389 | |
| 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 | 0.0000 | |
| 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 | -0.4731 | |
| 23 | P | B | -0.7773 | |
| 24 | G | B | -0.8705 | |
| 25 | S | B | 0.0000 | |
| 26 | E | B | -1.2406 | |
| 27 | V | B | -1.0817 | |
| 28 | E | B | -1.6532 | |
| 29 | S | B | 0.0000 | |
| 30 | D | B | 0.0000 | |
| 31 | W | B | 0.0000 | |
| 32 | W | B | -0.3546 | |
| 33 | V | B | -0.1170 | |
| 34 | W | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | H | B | -0.7020 | |
| 37 | D | B | -1.0308 | |
| 38 | K | B | -1.6454 | |
| 39 | E | B | -0.6118 | |
| 40 | N | B | 0.0000 | |
| 41 | I | B | -0.2284 | |
| 42 | A | B | -0.1627 | |
| 43 | S | B | 0.0000 | |
| 44 | G | B | -0.6848 | |
| 45 | L | B | 0.0000 | |
| 46 | V | B | 0.0000 | |
| 47 | S | B | -0.7555 | |
| 48 | G | B | -0.9879 | |
| 49 | D | B | -1.0573 | |
| 50 | L | B | -0.2424 | |
| 51 | P | B | 0.0000 | |
| 52 | E | B | -1.1683 | |
| 53 | N | B | -1.5969 | |
| 54 | G | B | 0.0000 | |
| 55 | P | B | 0.0000 | |
| 56 | A | B | 0.0000 | |
| 57 | Y | B | 0.0000 | |
| 58 | W | B | -0.3282 | |
| 59 | H | B | -0.9602 | |
| 60 | L | B | -0.7288 | |
| 61 | Y | B | -1.2897 | |
| 62 | K | B | -2.5600 | |
| 63 | Q | B | -2.2345 | |
| 64 | D | B | 0.0000 | |
| 65 | H | B | 0.0000 | |
| 66 | D | B | -3.0333 | |
| 67 | I | B | -1.8670 | |
| 68 | A | B | 0.0000 | |
| 69 | E | B | -2.7426 | |
| 70 | K | B | -2.8216 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -2.1346 | |
| 73 | M | B | 0.0000 | |
| 74 | D | B | -1.0168 | |
| 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 | 0.0000 | |
| 82 | W | B | 0.0000 | |
| 83 | A | B | -0.6073 | |
| 84 | R | B | 0.0000 | |
| 85 | I | B | 0.0000 | |
| 86 | F | B | 0.0000 | |
| 87 | P | B | -1.2420 | |
| 88 | K | B | -1.6403 | |
| 89 | P | B | -0.9277 | |
| 90 | T | B | 0.0000 | |
| 91 | F | B | -0.7597 | |
| 92 | D | B | -1.9151 | |
| 93 | V | B | -1.7260 | |
| 94 | K | B | -2.2474 | |
| 95 | V | B | -1.5922 | |
| 96 | D | B | -2.6112 | |
| 97 | V | B | -1.5759 | |
| 98 | E | B | -2.5846 | |
| 99 | K | B | -2.9452 | |
| 100 | D | B | -3.8641 | |
| 101 | E | B | -3.8692 | |
| 102 | E | B | -3.5270 | |
| 103 | G | B | -2.8270 | |
| 104 | N | B | -1.8570 | |
| 105 | I | B | 0.0000 | |
| 106 | I | B | 0.3959 | |
| 107 | S | B | -0.8366 | |
| 108 | V | B | -1.3213 | |
| 109 | D | B | -2.4289 | |
| 110 | V | B | -1.6741 | |
| 111 | P | B | -1.7573 | |
| 112 | E | B | -2.4515 | |
| 113 | S | B | -1.9355 | |
| 114 | T | B | 0.0000 | |
| 115 | I | B | 0.0000 | |
| 116 | K | B | -3.3165 | |
| 117 | E | B | -3.1366 | |
| 118 | L | B | 0.0000 | |
| 119 | E | B | -2.3512 | |
| 120 | K | B | -2.5304 | |
| 121 | I | B | -1.3299 | |
| 122 | A | B | -1.3177 | |
| 123 | N | B | -1.5346 | |
| 124 | M | B | -1.6497 | |
| 125 | E | B | -2.5524 | |
| 126 | A | B | 0.0000 | |
| 127 | L | B | 0.0000 | |
| 128 | E | B | -3.1502 | |
| 129 | H | B | -2.3405 | |
| 130 | Y | B | 0.0000 | |
| 131 | R | B | -2.5780 | |
| 132 | K | B | -2.8064 | |
| 133 | I | B | 0.0000 | |
| 134 | Y | B | 0.0000 | |
| 135 | S | B | -2.1277 | |
| 136 | D | B | -2.2385 | |
| 137 | W | B | 0.0000 | |
| 138 | K | B | -3.1861 | |
| 139 | E | B | -2.9073 | |
| 140 | R | B | -2.5144 | |
| 141 | G | B | -1.8969 | |
| 142 | K | B | -2.0067 | |
| 143 | T | B | -1.3983 | |
| 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 | 0.0000 | |
| 151 | W | B | 0.1782 | |
| 152 | P | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | L | B | -0.2304 | |
| 156 | W | B | -0.2908 | |
| 157 | I | B | 0.0000 | |
| 158 | H | B | 0.0000 | |
| 159 | D | B | -0.2229 | |
| 160 | P | B | 0.0000 | |
| 161 | I | B | 0.2250 | |
| 162 | A | B | -0.1511 | |
| 163 | V | B | 0.0000 | |
| 164 | R | B | 0.0000 | |
| 165 | K | B | -0.2128 | |
| 166 | L | B | -0.7145 | |
| 167 | G | B | 0.0000 | |
| 168 | P | B | -1.3510 | |
| 169 | D | B | -2.2619 | |
| 170 | R | B | -1.8725 | |
| 171 | A | B | -1.0510 | |
| 172 | P | B | -0.7531 | |
| 173 | A | B | 0.0000 | |
| 174 | G | B | 0.0000 | |
| 175 | W | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | D | B | -2.2427 | |
| 178 | E | B | -2.9203 | |
| 179 | K | B | -2.3308 | |
| 180 | T | B | 0.0000 | |
| 181 | V | B | 0.0000 | |
| 182 | V | B | -0.5376 | |
| 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 | -0.2003 | |
| 194 | H | B | -0.5581 | |
| 195 | L | B | 0.0000 | |
| 196 | D | B | -1.8810 | |
| 197 | D | B | -2.4010 | |
| 198 | L | B | 0.0000 | |
| 199 | V | B | 0.0000 | |
| 200 | D | B | -2.4193 | |
| 201 | M | B | -1.0773 | |
| 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 | -0.1179 | |
| 208 | P | B | 0.0000 | |
| 209 | N | B | -0.4812 | |
| 210 | V | B | -0.0145 | |
| 211 | V | B | 0.1036 | |
| 212 | Y | B | 0.0000 | |
| 213 | N | B | -0.6361 | |
| 214 | Q | B | -0.6877 | |
| 215 | G | B | 0.0000 | |
| 216 | Y | B | 0.0000 | |
| 217 | I | B | 0.0000 | |
| 218 | N | B | -1.0905 | |
| 219 | L | B | 0.0000 | |
| 220 | R | B | -2.1086 | |
| 221 | S | B | -1.0582 | |
| 222 | G | B | 0.0000 | |
| 223 | F | B | -0.1154 | |
| 224 | P | B | 0.1101 | |
| 225 | P | B | 0.0000 | |
| 226 | G | B | 0.0000 | |
| 227 | Y | B | 0.0732 | |
| 228 | L | B | 0.0000 | |
| 229 | S | B | 0.0000 | |
| 230 | F | B | -0.7564 | |
| 231 | E | B | -2.2692 | |
| 232 | A | B | 0.0000 | |
| 233 | A | B | 0.0000 | |
| 234 | E | B | -2.7614 | |
| 235 | K | B | -2.7617 | |
| 236 | A | B | 0.0000 | |
| 237 | K | B | -1.2692 | |
| 238 | F | B | -0.5312 | |
| 239 | N | B | 0.0000 | |
| 240 | L | B | 0.0000 | |
| 241 | I | B | 0.0000 | |
| 242 | Q | B | 0.0000 | |
| 243 | A | B | 0.0000 | |
| 244 | H | B | 0.0000 | |
| 245 | I | B | -0.1811 | |
| 246 | G | B | 0.0000 | |
| 247 | A | B | 0.0000 | |
| 248 | Y | B | 0.0000 | |
| 249 | D | B | -2.8064 | |
| 250 | A | B | 0.0000 | |
| 251 | I | B | 0.0000 | |
| 252 | K | B | -3.2476 | |
| 253 | E | B | -2.9787 | |
| 254 | Y | B | -1.5678 | |
| 255 | S | B | 0.0000 | |
| 256 | E | B | -2.9266 | |
| 257 | K | B | -1.9866 | |
| 258 | S | B | -1.2318 | |
| 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 | -0.1540 | |
| 265 | F | B | 0.0000 | |
| 266 | A | B | -0.0280 | |
| 267 | W | B | 0.0000 | |
| 268 | H | B | 0.0000 | |
| 269 | D | B | -0.1362 | |
| 270 | P | B | -1.1953 | |
| 271 | L | B | 0.3224 | |
| 272 | A | B | -1.1090 | |
| 273 | E | B | -3.2202 | |
| 274 | E | B | -3.4567 | |
| 275 | Y | B | -2.8169 | |
| 276 | K | B | -3.9481 | |
| 277 | D | B | -4.3395 | |
| 278 | E | B | -4.1576 | |
| 279 | V | B | 0.0000 | |
| 280 | E | B | -3.6519 | |
| 281 | E | B | -4.0685 | |
| 282 | I | B | -2.7213 | |
| 283 | R | B | 0.0000 | |
| 284 | K | B | -3.7755 | |
| 285 | K | B | -3.7934 | |
| 286 | D | B | -2.9624 | |
| 287 | Y | B | 0.0000 | |
| 288 | E | B | -2.4528 | |
| 289 | F | B | 0.0000 | |
| 290 | V | B | 0.0000 | |
| 291 | T | B | -1.2034 | |
| 292 | I | B | -0.6591 | |
| 293 | L | B | 0.0000 | |
| 294 | H | B | -1.3752 | |
| 295 | S | B | -1.2584 | |
| 296 | K | B | -2.0396 | |
| 297 | G | B | -1.6358 | |
| 298 | K | B | -1.5442 | |
| 299 | L | B | 0.0000 | |
| 300 | D | B | -0.7715 | |
| 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 | 0.2398 | |
| 308 | S | B | 0.0000 | |
| 309 | R | B | 0.1453 | |
| 310 | L | B | 0.7426 | |
| 311 | V | B | 0.0000 | |
| 312 | Y | B | 0.0000 | |
| 313 | G | B | 0.0000 | |
| 314 | A | B | -1.2458 | |
| 315 | K | B | -2.6370 | |
| 316 | D | B | -2.9981 | |
| 317 | G | B | -2.2988 | |
| 318 | H | B | -2.2249 | |
| 319 | L | B | 0.0000 | |
| 320 | V | B | 0.3523 | |
| 321 | P | B | 0.7736 | |
| 322 | L | B | 0.9370 | |
| 323 | P | B | -0.1612 | |
| 324 | G | B | -0.5774 | |
| 325 | Y | B | -0.0680 | |
| 326 | G | B | 0.0000 | |
| 327 | F | B | 0.5669 | |
| 328 | M | B | 0.1062 | |
| 329 | S | B | 0.0000 | |
| 330 | E | B | -2.4778 | |
| 331 | R | B | -2.4767 | |
| 332 | G | B | -1.3109 | |
| 333 | G | B | -0.7802 | |
| 334 | F | B | -0.1598 | |
| 335 | A | B | 0.0000 | |
| 336 | K | B | -1.9026 | |
| 337 | S | B | -1.0586 | |
| 338 | G | B | -1.0452 | |
| 339 | R | B | -0.7315 | |
| 340 | P | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | S | B | 0.0000 | |
| 343 | D | B | -1.4215 | |
| 344 | F | B | -0.6151 | |
| 345 | G | B | 0.0000 | |
| 346 | W | B | 0.1047 | |
| 347 | E | B | 0.0000 | |
| 348 | M | B | 0.0000 | |
| 349 | Y | B | -0.2388 | |
| 350 | P | B | 0.0000 | |
| 351 | E | B | -1.5032 | |
| 352 | G | B | 0.0000 | |
| 353 | L | B | 0.0000 | |
| 354 | E | B | -1.8418 | |
| 355 | N | B | -1.8558 | |
| 356 | L | B | 0.0000 | |
| 357 | L | B | 0.0000 | |
| 358 | K | B | -2.2706 | |
| 359 | Y | B | -1.2246 | |
| 360 | L | B | 0.0000 | |
| 361 | N | B | -2.2568 | |
| 362 | N | B | -2.0018 | |
| 363 | A | B | -1.2184 | |
| 364 | Y | B | -1.1756 | |
| 365 | E | B | -2.4294 | |
| 366 | L | B | -1.1259 | |
| 367 | P | B | -0.8813 | |
| 368 | M | B | 0.0000 | |
| 369 | I | B | 0.0000 | |
| 370 | I | B | 0.0000 | |
| 371 | T | B | 0.0000 | |
| 372 | E | B | -0.1166 | |
| 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 | -0.3635 | |
| 379 | A | B | 0.0000 | |
| 380 | D | B | 0.0000 | |
| 381 | R | B | -0.2711 | |
| 382 | Y | B | 0.0000 | |
| 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 | -1.3198 | |
| 393 | A | B | 0.0000 | |
| 394 | V | B | 0.0000 | |
| 395 | Y | B | -0.8476 | |
| 396 | N | B | -1.6950 | |
| 397 | A | B | 0.0000 | |
| 398 | M | B | -1.8937 | |
| 399 | K | B | -2.8231 | |
| 400 | E | B | -3.1445 | |
| 401 | G | B | -2.5344 | |
| 402 | A | B | 0.0000 | |
| 403 | D | B | -1.8068 | |
| 404 | V | B | 0.0000 | |
| 405 | R | B | -1.5391 | |
| 406 | G | B | 0.0000 | |
| 407 | Y | B | 0.0000 | |
| 408 | L | B | 0.0000 | |
| 409 | H | B | 0.0000 | |
| 410 | W | B | 0.0490 | |
| 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 | -0.5878 | |
| 418 | W | B | 0.0000 | |
| 419 | A | B | -0.7349 | |
| 420 | Q | B | -0.9688 | |
| 421 | G | B | 0.0000 | |
| 422 | F | B | -0.9467 | |
| 423 | R | B | -1.8641 | |
| 424 | M | B | 0.0000 | |
| 425 | R | B | -0.6366 | |
| 426 | F | B | 0.0000 | |
| 427 | G | B | 0.0000 | |
| 428 | L | B | 0.0000 | |
| 429 | V | B | 0.0000 | |
| 430 | Y | B | -0.1860 | |
| 431 | V | B | 0.0000 | |
| 432 | D | B | -1.3508 | |
| 433 | F | B | -1.4898 | |
| 434 | E | B | -2.3730 | |
| 435 | T | B | -1.5601 | |
| 436 | K | B | -1.5633 | |
| 437 | K | B | -1.9768 | |
| 438 | R | B | 0.0000 | |
| 439 | Y | B | -0.5673 | |
| 440 | L | B | 0.0205 | |
| 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 | -2.6237 | |
| 449 | E | B | -2.0683 | |
| 450 | I | B | 0.0000 | |
| 451 | A | B | 0.0000 | |
| 452 | T | B | -1.7963 | |
| 453 | Q | B | -2.0433 | |
| 454 | K | B | -2.6288 | |
| 455 | E | B | -1.9536 | |
| 456 | I | B | -1.3124 | |
| 457 | P | B | 0.0000 | |
| 458 | E | B | -2.4298 | |
| 459 | E | B | -2.0256 | |
| 460 | L | B | 0.0000 | |
| 461 | A | B | -1.3812 | |
| 462 | H | B | -1.3125 | |
| 463 | L | B | 0.0000 | |
| 464 | A | B | -1.2787 | |
| 465 | D | B | -2.3261 | |
| 466 | L | B | 0.0000 | |
| 467 | K | B | -2.2097 | |
| 468 | F | B | -0.7995 | |
| 469 | V | B | -0.9043 | |
| 470 | T | B | -1.3283 | |
| 471 | R | B | -2.0003 | |
| 1 | A | C | -1.8114 | |
| 2 | K | C | -2.7709 | |
| 3 | F | C | 0.0000 | |
| 4 | P | C | -2.2461 | |
| 5 | K | C | -2.8176 | |
| 6 | N | C | -2.5793 | |
| 7 | F | C | 0.0000 | |
| 8 | M | C | -1.1749 | |
| 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 | -0.0886 | |
| 16 | F | C | 0.0000 | |
| 17 | Q | C | 0.0000 | |
| 18 | F | C | 0.0000 | |
| 19 | E | C | 0.0000 | |
| 20 | M | C | 0.0000 | |
| 21 | G | C | -1.3882 | |
| 22 | L | C | -0.5048 | |
| 23 | P | C | -1.0507 | |
| 24 | G | C | -1.0086 | |
| 25 | S | C | 0.0000 | |
| 26 | E | C | -2.3296 | |
| 27 | V | C | -1.4131 | |
| 28 | E | C | -1.1606 | |
| 29 | S | C | 0.0000 | |
| 30 | D | C | 0.0000 | |
| 31 | W | C | 0.0000 | |
| 32 | W | C | 0.0000 | |
| 33 | V | C | -0.3662 | |
| 34 | W | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | H | C | -1.3758 | |
| 37 | D | C | 0.0000 | |
| 38 | K | C | -1.4914 | |
| 39 | E | C | -0.5245 | |
| 40 | N | C | 0.0000 | |
| 41 | I | C | -0.0587 | |
| 42 | A | C | -0.0403 | |
| 43 | S | C | 0.0000 | |
| 44 | G | C | -0.4251 | |
| 45 | L | C | 0.0000 | |
| 46 | V | C | 0.0000 | |
| 47 | S | C | -0.7792 | |
| 48 | G | C | -1.1790 | |
| 49 | D | C | -2.1177 | |
| 50 | L | C | -1.4113 | |
| 51 | P | C | 0.0000 | |
| 52 | E | C | -2.5560 | |
| 53 | N | C | -2.0788 | |
| 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 | -0.7890 | |
| 60 | L | C | -0.9572 | |
| 61 | Y | C | 0.0000 | |
| 62 | K | C | -2.2381 | |
| 63 | Q | C | -1.9110 | |
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| 72 | G | C | -1.8667 | |
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| 76 | I | C | 0.0000 | |
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| 95 | V | C | 0.0000 | |
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| 105 | I | C | -0.2044 | |
| 106 | I | C | 0.6673 | |
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| 108 | V | C | 0.0000 | |
| 109 | D | C | -3.0992 | |
| 110 | V | C | 0.0000 | |
| 111 | P | C | -2.1600 | |
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| 115 | I | C | 0.0000 | |
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| 124 | M | C | -1.6981 | |
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| 126 | A | C | 0.0000 | |
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| 130 | Y | C | 0.0000 | |
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| 133 | I | C | 0.0000 | |
| 134 | Y | C | 0.0000 | |
| 135 | S | C | -1.9361 | |
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| 140 | R | C | -2.0361 | |
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| 142 | K | C | -1.4517 | |
| 143 | T | C | -0.5836 | |
| 144 | F | C | 0.0000 | |
| 145 | I | C | 0.0000 | |
| 146 | L | C | 0.0000 | |
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| 148 | L | C | 0.0000 | |
| 149 | Y | C | 0.0000 | |
| 150 | H | C | -0.1501 | |
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| 152 | P | C | 0.0000 | |
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| 157 | I | C | 0.0000 | |
| 158 | H | C | 0.0000 | |
| 159 | D | C | -0.2802 | |
| 160 | P | C | 0.0000 | |
| 161 | I | C | -0.2767 | |
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| 163 | V | C | 0.0000 | |
| 164 | R | C | -0.8807 | |
| 165 | K | C | -1.6272 | |
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| 167 | G | C | -1.4653 | |
| 168 | P | C | -1.5904 | |
| 169 | D | C | -2.6439 | |
| 170 | R | C | -2.7651 | |
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| 175 | W | C | 0.0000 | |
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| 179 | K | C | -2.2607 | |
| 180 | T | C | 0.0000 | |
| 181 | V | C | 0.0000 | |
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| 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 | |
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| 190 | F | C | 0.0000 | |
| 191 | V | C | 0.0000 | |
| 192 | A | C | 0.0000 | |
| 193 | Y | C | -0.6701 | |
| 194 | H | C | -0.6340 | |
| 195 | L | C | 0.0000 | |
| 196 | D | C | -1.6890 | |
| 197 | D | C | -2.1836 | |
| 198 | L | C | 0.0000 | |
| 199 | V | C | 0.0000 | |
| 200 | D | C | -1.2146 | |
| 201 | M | C | -0.5994 | |
| 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 | -0.1410 | |
| 208 | P | C | 0.0000 | |
| 209 | N | C | -0.5131 | |
| 210 | V | C | -0.0599 | |
| 211 | V | C | 0.0000 | |
| 212 | Y | C | -0.7160 | |
| 213 | N | C | -0.7248 | |
| 214 | Q | C | -0.8680 | |
| 215 | G | C | 0.0000 | |
| 216 | Y | C | 0.0000 | |
| 217 | I | C | 0.0000 | |
| 218 | N | C | -1.1428 | |
| 219 | L | C | 0.0000 | |
| 220 | R | C | -2.3244 | |
| 221 | S | C | -1.3819 | |
| 222 | G | C | 0.0000 | |
| 223 | F | C | 0.0000 | |
| 224 | P | C | 0.0000 | |
| 225 | P | C | 0.0000 | |
| 226 | G | C | -0.3408 | |
| 227 | Y | C | -0.1905 | |
| 228 | L | C | 0.0000 | |
| 229 | S | C | -0.9323 | |
| 230 | F | C | -0.9969 | |
| 231 | E | C | -2.2902 | |
| 232 | A | C | -1.4717 | |
| 233 | A | C | 0.0000 | |
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| 235 | K | C | -2.1981 | |
| 236 | A | C | 0.0000 | |
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| 238 | F | C | -0.5756 | |
| 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 | 0.0265 | |
| 246 | G | C | 0.0000 | |
| 247 | A | C | 0.0000 | |
| 248 | Y | C | -0.9473 | |
| 249 | D | C | -2.0355 | |
| 250 | A | C | 0.0000 | |
| 251 | I | C | 0.0000 | |
| 252 | K | C | -2.9908 | |
| 253 | E | C | -3.2797 | |
| 254 | Y | C | -1.8021 | |
| 255 | S | C | 0.0000 | |
| 256 | E | C | -2.8317 | |
| 257 | K | C | -1.8774 | |
| 258 | S | C | -1.1738 | |
| 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 | -0.0838 | |
| 265 | F | C | 0.0000 | |
| 266 | A | C | -0.0376 | |
| 267 | W | C | 0.0000 | |
| 268 | H | C | 0.0000 | |
| 269 | D | C | -0.2741 | |
| 270 | P | C | -1.0140 | |
| 271 | L | C | 0.5277 | |
| 272 | A | C | -1.0507 | |
| 273 | E | C | -3.0046 | |
| 274 | E | C | -3.3393 | |
| 275 | Y | C | -2.8504 | |
| 276 | K | C | -4.0325 | |
| 277 | D | C | -4.5951 | |
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| 279 | V | C | 0.0000 | |
| 280 | E | C | -4.2761 | |
| 281 | E | C | -4.5279 | |
| 282 | I | C | -3.2505 | |
| 283 | R | C | -3.0150 | |
| 284 | K | C | -3.9994 | |
| 285 | K | C | -3.8475 | |
| 286 | D | C | -2.6383 | |
| 287 | Y | C | 0.0000 | |
| 288 | E | C | -2.6790 | |
| 289 | F | C | 0.0000 | |
| 290 | V | C | 0.0000 | |
| 291 | T | C | -1.2989 | |
| 292 | I | C | -0.5643 | |
| 293 | L | C | 0.0000 | |
| 294 | H | C | -1.5877 | |
| 295 | S | C | -1.0395 | |
| 296 | K | C | -1.5442 | |
| 297 | G | C | -1.5451 | |
| 298 | K | C | -1.3724 | |
| 299 | L | C | -0.8267 | |
| 300 | D | C | -0.8122 | |
| 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 | 0.2373 | |
| 308 | S | C | 0.0000 | |
| 309 | R | C | -0.0647 | |
| 310 | L | C | 0.4124 | |
| 311 | V | C | 0.0000 | |
| 312 | Y | C | 0.0000 | |
| 313 | G | C | 0.0000 | |
| 314 | A | C | -0.6204 | |
| 315 | K | C | -1.6618 | |
| 316 | D | C | -2.5618 | |
| 317 | G | C | -1.8549 | |
| 318 | H | C | -1.3302 | |
| 319 | L | C | -0.4582 | |
| 320 | V | C | 0.1015 | |
| 321 | P | C | 0.3643 | |
| 322 | L | C | 0.4388 | |
| 323 | P | C | -0.4182 | |
| 324 | G | C | -0.8303 | |
| 325 | Y | C | 0.0000 | |
| 326 | G | C | 0.0000 | |
| 327 | F | C | 0.4564 | |
| 328 | M | C | 0.0622 | |
| 329 | S | C | 0.0000 | |
| 330 | E | C | -2.6192 | |
| 331 | R | C | -2.4533 | |
| 332 | G | C | -1.5368 | |
| 333 | G | C | -1.3205 | |
| 334 | F | C | -1.0645 | |
| 335 | A | C | 0.0000 | |
| 336 | K | C | -2.0049 | |
| 337 | S | C | -1.1863 | |
| 338 | G | C | -1.2634 | |
| 339 | R | C | -1.0616 | |
| 340 | P | C | 0.0000 | |
| 341 | A | C | 0.0000 | |
| 342 | S | C | 0.0000 | |
| 343 | D | C | 0.0000 | |
| 344 | F | C | -0.6698 | |
| 345 | G | C | 0.0000 | |
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| 347 | E | C | 0.0000 | |
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| 350 | P | C | 0.0000 | |
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| 352 | G | C | 0.0000 | |
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| 356 | L | C | 0.0000 | |
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| 359 | Y | C | -0.8995 | |
| 360 | L | C | 0.0000 | |
| 361 | N | C | -2.0118 | |
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| 363 | A | C | -1.1848 | |
| 364 | Y | C | 0.0000 | |
| 365 | E | C | -2.5273 | |
| 366 | L | C | 0.0000 | |
| 367 | P | C | -1.2977 | |
| 368 | M | C | 0.0000 | |
| 369 | I | C | 0.0000 | |
| 370 | I | C | 0.0000 | |
| 371 | T | C | 0.0000 | |
| 372 | E | C | -0.1453 | |
| 373 | N | C | 0.0000 | |
| 374 | G | C | 0.0000 | |
| 375 | M | C | 0.0000 | |
| 376 | A | C | 0.0000 | |
| 377 | D | C | 0.0000 | |
| 378 | A | C | -0.3970 | |
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| 380 | D | C | 0.0000 | |
| 381 | R | C | -0.3333 | |
| 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 | -0.9917 | |
| 393 | A | C | 0.0000 | |
| 394 | V | C | 0.0000 | |
| 395 | Y | C | -1.1992 | |
| 396 | N | C | -1.8947 | |
| 397 | A | C | 0.0000 | |
| 398 | M | C | -2.0678 | |
| 399 | K | C | -2.8029 | |
| 400 | E | C | -3.2128 | |
| 401 | G | C | -2.3542 | |
| 402 | A | C | 0.0000 | |
| 403 | D | C | -2.2472 | |
| 404 | V | C | 0.0000 | |
| 405 | R | C | -2.2409 | |
| 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 | -0.4766 | |
| 418 | W | C | -0.0330 | |
| 419 | A | C | -0.3954 | |
| 420 | Q | C | -0.9134 | |
| 421 | G | C | 0.0000 | |
| 422 | F | C | -1.0772 | |
| 423 | R | C | -1.8024 | |
| 424 | M | C | 0.0000 | |
| 425 | R | C | -0.5110 | |
| 426 | F | C | 0.0000 | |
| 427 | G | C | 0.0000 | |
| 428 | L | C | 0.0000 | |
| 429 | V | C | 0.0000 | |
| 430 | Y | C | -0.3888 | |
| 431 | V | C | 0.0000 | |
| 432 | D | C | -1.5704 | |
| 433 | F | C | 0.0000 | |
| 434 | E | C | -2.4416 | |
| 435 | T | C | -1.7153 | |
| 436 | K | C | -1.7323 | |
| 437 | K | C | -2.3118 | |
| 438 | R | C | -1.2376 | |
| 439 | Y | C | -0.9341 | |
| 440 | L | C | -0.1883 | |
| 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 | 0.0000 | |
| 448 | R | C | -2.0959 | |
| 449 | E | C | -2.5834 | |
| 450 | I | C | 0.0000 | |
| 451 | A | C | 0.0000 | |
| 452 | T | C | -2.0888 | |
| 453 | Q | C | -2.5729 | |
| 454 | K | C | -3.0115 | |
| 455 | E | C | -2.5461 | |
| 456 | I | C | 0.0000 | |
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| 458 | E | C | -2.9082 | |
| 459 | E | C | -2.7384 | |
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| 464 | A | C | -1.0372 | |
| 465 | D | C | -1.4591 | |
| 466 | L | C | -1.0569 | |
| 467 | K | C | -1.5784 | |
| 468 | F | C | 0.2966 | |
| 469 | V | C | 0.0000 | |
| 470 | T | C | -1.1123 | |
| 471 | R | C | -1.8736 | |
| 1 | A | D | -1.1208 | |
| 2 | K | D | -2.4590 | |
| 3 | F | D | -1.9189 | |
| 4 | P | D | -1.9651 | |
| 5 | K | D | -2.6236 | |
| 6 | N | D | -2.2723 | |
| 7 | F | D | 0.0000 | |
| 8 | M | D | -1.1008 | |
| 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 | -1.3572 | |
| 22 | L | D | -0.8052 | |
| 23 | P | D | -1.1863 | |
| 24 | G | D | -1.1731 | |
| 25 | S | D | 0.0000 | |
| 26 | E | D | -2.2599 | |
| 27 | V | D | 0.0000 | |
| 28 | E | D | -0.7455 | |
| 29 | S | D | 0.0000 | |
| 30 | D | D | 0.0000 | |
| 31 | W | D | 0.0000 | |
| 32 | W | D | -0.0001 | |
| 33 | V | D | 0.2022 | |
| 34 | W | D | 0.0000 | |
| 35 | V | D | 0.0000 | |
| 36 | H | D | -0.6354 | |
| 37 | D | D | -0.9443 | |
| 38 | K | D | -1.6639 | |
| 39 | E | D | -0.8018 | |
| 40 | N | D | 0.0000 | |
| 41 | I | D | -0.1307 | |
| 42 | A | D | -0.1917 | |
| 43 | S | D | 0.0000 | |
| 44 | G | D | -0.5382 | |
| 45 | L | D | -0.3017 | |
| 46 | V | D | 0.0000 | |
| 47 | S | D | -0.2909 | |
| 48 | G | D | -0.6151 | |
| 49 | D | D | -1.2378 | |
| 50 | L | D | -0.6028 | |
| 51 | P | D | 0.0000 | |
| 52 | E | D | -2.3504 | |
| 53 | N | D | -2.2505 | |
| 54 | G | D | 0.0000 | |
| 55 | P | D | 0.0000 | |
| 56 | A | D | 0.0000 | |
| 57 | Y | D | 0.0000 | |
| 58 | W | D | -0.3433 | |
| 59 | H | D | -0.8434 | |
| 60 | L | D | -0.4646 | |
| 61 | Y | D | -0.9535 | |
| 62 | K | D | -2.1191 | |
| 63 | Q | D | -1.5284 | |
| 64 | D | D | 0.0000 | |
| 65 | H | D | 0.0000 | |
| 66 | D | D | -2.1442 | |
| 67 | I | D | -1.6112 | |
| 68 | A | D | 0.0000 | |
| 69 | E | D | -2.9731 | |
| 70 | K | D | -2.8316 | |
| 71 | L | D | 0.0000 | |
| 72 | G | D | -2.3836 | |
| 73 | M | D | 0.0000 | |
| 74 | D | D | -2.0729 | |
| 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 | -0.8833 | |
| 88 | K | D | -1.4871 | |
| 89 | P | D | -0.6603 | |
| 90 | T | D | 0.0000 | |
| 91 | F | D | -0.8062 | |
| 92 | D | D | -1.9405 | |
| 93 | V | D | -1.7377 | |
| 94 | K | D | -2.3488 | |
| 95 | V | D | -2.0130 | |
| 96 | D | D | -2.9553 | |
| 97 | V | D | -1.9335 | |
| 98 | E | D | -2.3501 | |
| 99 | K | D | -2.7279 | |
| 100 | D | D | -3.1594 | |
| 101 | E | D | -3.5911 | |
| 102 | E | D | -3.3146 | |
| 103 | G | D | 0.0000 | |
| 104 | N | D | -1.5366 | |
| 105 | I | D | -0.6171 | |
| 106 | I | D | 0.7973 | |
| 107 | S | D | -0.6329 | |
| 108 | V | D | -1.4304 | |
| 109 | D | D | -2.9203 | |
| 110 | V | D | -1.9469 | |
| 111 | P | D | -2.0447 | |
| 112 | E | D | -2.6573 | |
| 113 | S | D | -2.1918 | |
| 114 | T | D | 0.0000 | |
| 115 | I | D | 0.0000 | |
| 116 | K | D | -3.4036 | |
| 117 | E | D | -3.4987 | |
| 118 | L | D | 0.0000 | |
| 119 | E | D | -2.5713 | |
| 120 | K | D | -2.8606 | |
| 121 | I | D | -1.7156 | |
| 122 | A | D | 0.0000 | |
| 123 | N | D | -1.6793 | |
| 124 | M | D | -1.7014 | |
| 125 | E | D | -2.4742 | |
| 126 | A | D | 0.0000 | |
| 127 | L | D | 0.0000 | |
| 128 | E | D | -2.9001 | |
| 129 | H | D | -2.0464 | |
| 130 | Y | D | 0.0000 | |
| 131 | R | D | -2.1847 | |
| 132 | K | D | -2.1430 | |
| 133 | I | D | 0.0000 | |
| 134 | Y | D | 0.0000 | |
| 135 | S | D | -2.1692 | |
| 136 | D | D | -2.4117 | |
| 137 | W | D | 0.0000 | |
| 138 | K | D | -2.1063 | |
| 139 | E | D | -2.7687 | |
| 140 | R | D | -2.3651 | |
| 141 | G | D | -1.7381 | |
| 142 | K | D | -1.9005 | |
| 143 | T | D | -0.8928 | |
| 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 | 0.0000 | |
| 152 | P | D | 0.0000 | |
| 153 | L | D | 0.0000 | |
| 154 | P | D | 0.0000 | |
| 155 | L | D | 0.2319 | |
| 156 | W | D | -0.0107 | |
| 157 | I | D | 0.0000 | |
| 158 | H | D | 0.0000 | |
| 159 | D | D | -0.2689 | |
| 160 | P | D | 0.0000 | |
| 161 | I | D | -0.0654 | |
| 162 | A | D | -0.9006 | |
| 163 | V | D | 0.0000 | |
| 164 | R | D | 0.0000 | |
| 165 | K | D | -1.3838 | |
| 166 | L | D | -1.0407 | |
| 167 | G | D | -1.5206 | |
| 168 | P | D | -1.9855 | |
| 169 | D | D | -2.7189 | |
| 170 | R | D | -2.7895 | |
| 171 | A | D | -1.7291 | |
| 172 | P | D | -1.2737 | |
| 173 | A | D | 0.0000 | |
| 174 | G | D | 0.0000 | |
| 175 | W | D | 0.0000 | |
| 176 | L | D | 0.0000 | |
| 177 | D | D | -2.4238 | |
| 178 | E | D | -2.4228 | |
| 179 | K | D | -2.2275 | |
| 180 | T | D | 0.0000 | |
| 181 | V | D | 0.0000 | |
| 182 | V | D | -0.8267 | |
| 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 | 0.4902 | |
| 194 | H | D | -0.3088 | |
| 195 | L | D | 0.0000 | |
| 196 | D | D | -1.9517 | |
| 197 | D | D | -2.2159 | |
| 198 | L | D | -1.2944 | |
| 199 | V | D | 0.0000 | |
| 200 | D | D | -1.3652 | |
| 201 | M | D | -0.8101 | |
| 202 | W | D | 0.0000 | |
| 203 | S | D | 0.0000 | |
| 204 | T | D | 0.0000 | |
| 205 | M | D | 0.0000 | |
| 206 | N | D | -0.1688 | |
| 207 | E | D | -0.1217 | |
| 208 | P | D | 0.0000 | |
| 209 | N | D | 0.0000 | |
| 210 | V | D | -0.0557 | |
| 211 | V | D | -0.0156 | |
| 212 | Y | D | -0.6185 | |
| 213 | N | D | -0.8671 | |
| 214 | Q | D | -0.7406 | |
| 215 | G | D | 0.0000 | |
| 216 | Y | D | 0.0000 | |
| 217 | I | D | -0.2056 | |
| 218 | N | D | -0.7169 | |
| 219 | L | D | 0.0000 | |
| 220 | R | D | -1.6127 | |
| 221 | S | D | -0.6713 | |
| 222 | G | D | 0.0000 | |
| 223 | F | D | 0.1071 | |
| 224 | P | D | 0.1254 | |
| 225 | P | D | 0.0000 | |
| 226 | G | D | -0.2794 | |
| 227 | Y | D | -0.1398 | |
| 228 | L | D | 0.0000 | |
| 229 | S | D | -0.9258 | |
| 230 | F | D | -0.7718 | |
| 231 | E | D | -2.2457 | |
| 232 | A | D | 0.0000 | |
| 233 | A | D | -1.5682 | |
| 234 | E | D | -2.7430 | |
| 235 | K | D | -2.4619 | |
| 236 | A | D | 0.0000 | |
| 237 | K | D | -1.3815 | |
| 238 | F | D | -0.6966 | |
| 239 | N | D | 0.0000 | |
| 240 | L | D | 0.0000 | |
| 241 | I | D | 0.3364 | |
| 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 | -0.6819 | |
| 249 | D | D | -1.5781 | |
| 250 | A | D | 0.0000 | |
| 251 | I | D | 0.0000 | |
| 252 | K | D | -2.0422 | |
| 253 | E | D | -2.4312 | |
| 254 | Y | D | -1.1130 | |
| 255 | S | D | -2.0790 | |
| 256 | E | D | -2.8207 | |
| 257 | K | D | -2.0777 | |
| 258 | S | D | -1.1101 | |
| 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 | -0.1143 | |
| 265 | F | D | 0.0000 | |
| 266 | A | D | -0.0575 | |
| 267 | W | D | 0.0000 | |
| 268 | H | D | 0.0000 | |
| 269 | D | D | -0.4240 | |
| 270 | P | D | -1.2552 | |
| 271 | L | D | -0.0069 | |
| 272 | A | D | -1.1315 | |
| 273 | E | D | -2.9884 | |
| 274 | E | D | -3.2250 | |
| 275 | Y | D | -2.5650 | |
| 276 | K | D | -3.4896 | |
| 277 | D | D | -3.9620 | |
| 278 | E | D | -3.4535 | |
| 279 | V | D | 0.0000 | |
| 280 | E | D | -3.1904 | |
| 281 | E | D | -3.3864 | |
| 282 | I | D | -2.4599 | |
| 283 | R | D | 0.0000 | |
| 284 | K | D | -3.6094 | |
| 285 | K | D | -3.7804 | |
| 286 | D | D | -2.7369 | |
| 287 | Y | D | 0.0000 | |
| 288 | E | D | -2.9721 | |
| 289 | F | D | 0.0000 | |
| 290 | V | D | 0.0000 | |
| 291 | T | D | -1.3555 | |
| 292 | I | D | -0.3147 | |
| 293 | L | D | 0.0000 | |
| 294 | H | D | -1.1820 | |
| 295 | S | D | -0.7309 | |
| 296 | K | D | -1.1602 | |
| 297 | G | D | -1.1636 | |
| 298 | K | D | -1.0549 | |
| 299 | L | D | 0.0000 | |
| 300 | D | D | -0.8006 | |
| 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 | 0.2920 | |
| 308 | S | D | 0.0000 | |
| 309 | R | D | 0.1777 | |
| 310 | L | D | 0.5596 | |
| 311 | V | D | 0.0000 | |
| 312 | Y | D | 0.0000 | |
| 313 | G | D | -0.8720 | |
| 314 | A | D | -0.9523 | |
| 315 | K | D | -2.4467 | |
| 316 | D | D | -2.9155 | |
| 317 | G | D | -2.2815 | |
| 318 | H | D | -1.5245 | |
| 319 | L | D | -0.3169 | |
| 320 | V | D | 0.7294 | |
| 321 | P | D | 0.6152 | |
| 322 | L | D | 0.5964 | |
| 323 | P | D | -0.2376 | |
| 324 | G | D | 0.0000 | |
| 325 | Y | D | -0.2079 | |
| 326 | G | D | 0.0000 | |
| 327 | F | D | 0.5607 | |
| 328 | M | D | 0.1876 | |
| 329 | S | D | 0.0000 | |
| 330 | E | D | -2.7230 | |
| 331 | R | D | -2.7122 | |
| 332 | G | D | -1.7698 | |
| 333 | G | D | -1.4589 | |
| 334 | F | D | -0.9660 | |
| 335 | A | D | 0.0000 | |
| 336 | K | D | -2.1089 | |
| 337 | S | D | -1.1579 | |
| 338 | G | D | 0.0000 | |
| 339 | R | D | -1.0767 | |
| 340 | P | D | 0.0000 | |
| 341 | A | D | 0.0000 | |
| 342 | S | D | 0.0000 | |
| 343 | D | D | -1.2579 | |
| 344 | F | D | -0.4520 | |
| 345 | G | D | 0.0000 | |
| 346 | W | D | 0.1775 | |
| 347 | E | D | 0.0000 | |
| 348 | M | D | 0.0000 | |
| 349 | Y | D | -0.1329 | |
| 350 | P | D | 0.0000 | |
| 351 | E | D | -1.4885 | |
| 352 | G | D | 0.0000 | |
| 353 | L | D | 0.0000 | |
| 354 | E | D | -1.6163 | |
| 355 | N | D | -1.6681 | |
| 356 | L | D | 0.0000 | |
| 357 | L | D | 0.0000 | |
| 358 | K | D | -1.9848 | |
| 359 | Y | D | -0.9851 | |
| 360 | L | D | 0.0000 | |
| 361 | N | D | -1.9776 | |
| 362 | N | D | -1.9159 | |
| 363 | A | D | -1.3462 | |
| 364 | Y | D | 0.0000 | |
| 365 | E | D | -2.4325 | |
| 366 | L | D | -1.2031 | |
| 367 | P | D | -0.8628 | |
| 368 | M | D | 0.0000 | |
| 369 | I | D | 0.0000 | |
| 370 | I | D | 0.0000 | |
| 371 | T | D | 0.0000 | |
| 372 | E | D | -0.1207 | |
| 373 | N | D | 0.0000 | |
| 374 | G | D | 0.0000 | |
| 375 | M | D | 0.0000 | |
| 376 | A | D | 0.0000 | |
| 377 | D | D | -0.3270 | |
| 378 | A | D | -0.5951 | |
| 379 | A | D | -0.1630 | |
| 380 | D | D | 0.0000 | |
| 381 | R | D | -0.5019 | |
| 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 | 0.1100 | |
| 388 | V | D | 0.0000 | |
| 389 | S | D | 0.0000 | |
| 390 | H | D | 0.0000 | |
| 391 | L | D | 0.0000 | |
| 392 | K | D | -0.8123 | |
| 393 | A | D | 0.0000 | |
| 394 | V | D | 0.0000 | |
| 395 | Y | D | -0.8677 | |
| 396 | N | D | -1.7087 | |
| 397 | A | D | 0.0000 | |
| 398 | M | D | -1.9142 | |
| 399 | K | D | -2.7009 | |
| 400 | E | D | -3.0480 | |
| 401 | G | D | -2.1438 | |
| 402 | A | D | 0.0000 | |
| 403 | D | D | -1.8554 | |
| 404 | V | D | 0.0000 | |
| 405 | R | D | -1.2763 | |
| 406 | G | D | 0.0000 | |
| 407 | Y | D | 0.0000 | |
| 408 | L | D | 0.0000 | |
| 409 | H | D | 0.0000 | |
| 410 | W | D | 0.1335 | |
| 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 | -0.6197 | |
| 418 | W | D | -0.0225 | |
| 419 | A | D | -0.2206 | |
| 420 | Q | D | -0.9375 | |
| 421 | G | D | 0.0000 | |
| 422 | F | D | -1.2015 | |
| 423 | R | D | -2.2100 | |
| 424 | M | D | 0.0000 | |
| 425 | R | D | -0.5663 | |
| 426 | F | D | 0.0879 | |
| 427 | G | D | 0.0000 | |
| 428 | L | D | 0.0000 | |
| 429 | V | D | 0.0000 | |
| 430 | Y | D | 0.0000 | |
| 431 | V | D | 0.0000 | |
| 432 | D | D | -1.7125 | |
| 433 | F | D | 0.0000 | |
| 434 | E | D | -2.6748 | |
| 435 | T | D | -2.0375 | |
| 436 | K | D | -2.6342 | |
| 437 | K | D | -2.4259 | |
| 438 | R | D | -1.3892 | |
| 439 | Y | D | -0.8487 | |
| 440 | L | D | -0.0950 | |
| 441 | R | D | 0.0000 | |
| 442 | P | D | 0.0000 | |
| 443 | S | D | 0.0000 | |
| 444 | A | D | 0.0000 | |
| 445 | L | D | -0.4639 | |
| 446 | V | D | 0.0000 | |
| 447 | F | D | 0.0000 | |
| 448 | R | D | -2.3451 | |
| 449 | E | D | -2.3711 | |
| 450 | I | D | 0.0000 | |
| 451 | A | D | 0.0000 | |
| 452 | T | D | -2.0799 | |
| 453 | Q | D | -2.6758 | |
| 454 | K | D | -3.0699 | |
| 455 | E | D | -2.2752 | |
| 456 | I | D | -1.4503 | |
| 457 | P | D | -1.6581 | |
| 458 | E | D | -2.0352 | |
| 459 | E | D | -1.4031 | |
| 460 | L | D | 0.0000 | |
| 461 | A | D | -1.3942 | |
| 462 | H | D | -1.5587 | |
| 463 | L | D | 0.0000 | |
| 464 | A | D | 0.0000 | |
| 465 | D | D | -2.1632 | |
| 466 | L | D | 0.0000 | |
| 467 | K | D | -2.2707 | |
| 468 | F | D | -0.9084 | |
| 469 | V | D | 0.0000 | |
| 470 | T | D | -1.5523 | |
| 471 | R | D | -2.2411 |
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 | -0.6699 | 2.7109 | View | CSV | PDB |
| 4.5 | -0.749 | 2.6083 | View | CSV | PDB |
| 5.0 | -0.8478 | 2.5314 | View | CSV | PDB |
| 5.5 | -0.9478 | 2.484 | View | CSV | PDB |
| 6.0 | -1.0288 | 2.478 | View | CSV | PDB |
| 6.5 | -1.0743 | 2.4774 | View | CSV | PDB |
| 7.0 | -1.081 | 2.5723 | View | CSV | PDB |
| 7.5 | -1.0599 | 2.7098 | View | CSV | PDB |
| 8.0 | -1.0235 | 2.8694 | View | CSV | PDB |
| 8.5 | -0.9772 | 3.0367 | View | CSV | PDB |
| 9.0 | -0.9218 | 3.204 | 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