| 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 (00:00:13)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:56:30)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/15def9e8ae9572a/tmp/folded.pdb (00:56:30)
[INFO] Main: Simulation completed successfully. (01:52:22)
|
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 | -1.2161 | |
| 2 | K | A | -2.2389 | |
| 3 | F | A | 0.0000 | |
| 4 | P | A | -1.9929 | |
| 5 | K | A | -2.7078 | |
| 6 | N | A | -2.2801 | |
| 7 | F | A | -1.5065 | |
| 8 | M | A | 0.0000 | |
| 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 | -0.1539 | |
| 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 | -0.4484 | |
| 23 | P | A | -0.7455 | |
| 24 | G | A | -0.8061 | |
| 25 | S | A | 0.0000 | |
| 26 | E | A | -1.0827 | |
| 27 | V | A | -1.0722 | |
| 28 | E | A | -1.6024 | |
| 29 | S | A | 0.0000 | |
| 30 | D | A | 0.0000 | |
| 31 | W | A | 0.0000 | |
| 32 | W | A | 0.0000 | |
| 33 | V | A | -0.1037 | |
| 34 | W | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | H | A | -0.9003 | |
| 37 | D | A | -0.9952 | |
| 38 | K | A | -1.6658 | |
| 39 | E | A | -0.7180 | |
| 40 | N | A | 0.0000 | |
| 41 | I | A | -0.3214 | |
| 42 | A | A | -0.1844 | |
| 43 | S | A | 0.0000 | |
| 44 | G | A | -0.8213 | |
| 45 | L | A | 0.0000 | |
| 46 | V | A | 0.0000 | |
| 47 | S | A | -0.9755 | |
| 48 | G | A | -1.1808 | |
| 49 | D | A | -1.3441 | |
| 50 | L | A | -0.5028 | |
| 51 | P | A | 0.0000 | |
| 52 | E | A | -1.0763 | |
| 53 | N | A | -1.3718 | |
| 54 | G | A | 0.0000 | |
| 55 | P | A | 0.0000 | |
| 56 | A | A | 0.0000 | |
| 57 | Y | A | 0.0000 | |
| 58 | W | A | -0.5520 | |
| 59 | H | A | -1.1549 | |
| 60 | L | A | -0.8575 | |
| 61 | Y | A | 0.0000 | |
| 62 | K | A | -2.5977 | |
| 63 | Q | A | -2.3255 | |
| 64 | D | A | 0.0000 | |
| 65 | H | A | 0.0000 | |
| 66 | D | A | -3.1493 | |
| 67 | I | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | E | A | -2.5971 | |
| 70 | K | A | -2.2616 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | 0.0000 | |
| 73 | M | A | 0.0000 | |
| 74 | D | A | -0.6835 | |
| 75 | C | A | 0.0000 | |
| 76 | I | A | 0.0000 | |
| 77 | R | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | G | A | -0.1356 | |
| 80 | I | A | 0.0000 | |
| 81 | E | A | -0.2653 | |
| 82 | W | A | 0.0000 | |
| 83 | A | A | -0.3974 | |
| 84 | R | A | -0.7440 | |
| 85 | I | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | P | A | -1.0834 | |
| 88 | K | A | -1.6778 | |
| 89 | P | A | -0.9309 | |
| 90 | T | A | 0.0000 | |
| 91 | F | A | -0.9759 | |
| 92 | D | A | -1.9867 | |
| 93 | V | A | -1.4864 | |
| 94 | K | A | -2.1431 | |
| 95 | V | A | -1.8062 | |
| 96 | D | A | -2.8479 | |
| 97 | V | A | -1.7075 | |
| 98 | E | A | -2.3086 | |
| 99 | K | A | -2.1433 | |
| 100 | D | A | -2.7887 | |
| 101 | E | A | -3.3924 | |
| 102 | E | A | -3.2498 | |
| 103 | G | A | -2.3750 | |
| 104 | N | A | -1.3948 | |
| 105 | I | A | 0.0000 | |
| 106 | I | A | 0.7440 | |
| 107 | S | A | -0.9515 | |
| 108 | V | A | 0.0000 | |
| 109 | D | A | -3.2262 | |
| 110 | V | A | 0.0000 | |
| 111 | P | A | -2.1715 | |
| 112 | E | A | -2.3903 | |
| 113 | S | A | -1.6872 | |
| 114 | T | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | K | A | -2.5656 | |
| 117 | E | A | -2.4927 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -1.8188 | |
| 120 | K | A | -2.3431 | |
| 121 | I | A | -1.3643 | |
| 122 | A | A | -1.5083 | |
| 123 | N | A | -1.6079 | |
| 124 | M | A | -1.5577 | |
| 125 | E | A | -2.4731 | |
| 126 | A | A | -1.7674 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -2.5222 | |
| 129 | H | A | -1.8362 | |
| 130 | Y | A | 0.0000 | |
| 131 | R | A | -2.0289 | |
| 132 | K | A | -2.0487 | |
| 133 | I | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | S | A | -1.8353 | |
| 136 | D | A | -1.9470 | |
| 137 | W | A | 0.0000 | |
| 138 | K | A | -2.1623 | |
| 139 | E | A | -2.5972 | |
| 140 | R | A | -2.1149 | |
| 141 | G | A | -1.7834 | |
| 142 | K | A | -1.4895 | |
| 143 | T | A | -0.8613 | |
| 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 | -0.1663 | |
| 151 | W | A | 0.0276 | |
| 152 | P | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | L | A | 0.2271 | |
| 156 | W | A | 0.1217 | |
| 157 | I | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | D | A | -0.3905 | |
| 160 | P | A | 0.0000 | |
| 161 | I | A | -0.2397 | |
| 162 | A | A | 0.0000 | |
| 163 | V | A | 0.0000 | |
| 164 | R | A | -1.0464 | |
| 165 | K | A | -1.7639 | |
| 166 | L | A | -1.1558 | |
| 167 | G | A | -1.5860 | |
| 168 | P | A | -1.7834 | |
| 169 | D | A | -2.6511 | |
| 170 | R | A | -2.7432 | |
| 171 | A | A | -1.6150 | |
| 172 | P | A | -0.8497 | |
| 173 | A | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | W | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | D | A | -1.8381 | |
| 178 | E | A | -2.2557 | |
| 179 | K | A | -2.3652 | |
| 180 | T | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | V | A | -0.8435 | |
| 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 | -0.2476 | |
| 194 | H | A | -0.4699 | |
| 195 | L | A | 0.0000 | |
| 196 | D | A | -1.5428 | |
| 197 | D | A | -2.1022 | |
| 198 | L | A | -1.5831 | |
| 199 | V | A | 0.0000 | |
| 200 | D | A | -1.3632 | |
| 201 | M | A | -0.6756 | |
| 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 | -0.1478 | |
| 208 | P | A | 0.0000 | |
| 209 | N | A | -0.6025 | |
| 210 | V | A | -0.2364 | |
| 211 | V | A | 0.0000 | |
| 212 | Y | A | -0.8656 | |
| 213 | N | A | -1.0384 | |
| 214 | Q | A | -0.8713 | |
| 215 | G | A | 0.0000 | |
| 216 | Y | A | 0.0000 | |
| 217 | I | A | -0.3360 | |
| 218 | N | A | -0.7523 | |
| 219 | L | A | -0.8088 | |
| 220 | R | A | -1.4792 | |
| 221 | S | A | -1.0020 | |
| 222 | G | A | -0.4940 | |
| 223 | F | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | G | A | -0.3057 | |
| 227 | Y | A | -0.2780 | |
| 228 | L | A | 0.0000 | |
| 229 | S | A | -0.8207 | |
| 230 | F | A | -0.8036 | |
| 231 | E | A | -2.2282 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | -1.5907 | |
| 234 | E | A | -2.6439 | |
| 235 | K | A | -2.1960 | |
| 236 | A | A | 0.0000 | |
| 237 | K | A | -1.6323 | |
| 238 | F | A | -0.6944 | |
| 239 | N | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | I | A | 0.0000 | |
| 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 | -1.1080 | |
| 249 | D | A | -2.3736 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | K | A | -2.4380 | |
| 253 | E | A | -2.9839 | |
| 254 | Y | A | -1.4909 | |
| 255 | S | A | -2.0791 | |
| 256 | E | A | -2.5572 | |
| 257 | K | A | -1.6137 | |
| 258 | S | A | -0.9759 | |
| 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 | -0.1269 | |
| 265 | F | A | 0.0000 | |
| 266 | A | A | 0.0711 | |
| 267 | W | A | 0.0630 | |
| 268 | H | A | 0.0000 | |
| 269 | D | A | -0.5537 | |
| 270 | P | A | -1.2555 | |
| 271 | L | A | 0.1179 | |
| 272 | A | A | -1.4208 | |
| 273 | E | A | -3.0986 | |
| 274 | E | A | -3.4121 | |
| 275 | Y | A | 0.0000 | |
| 276 | K | A | -4.0369 | |
| 277 | D | A | -4.4821 | |
| 278 | E | A | -4.2793 | |
| 279 | V | A | 0.0000 | |
| 280 | E | A | -4.2902 | |
| 281 | E | A | -4.5559 | |
| 282 | I | A | -3.2100 | |
| 283 | R | A | 0.0000 | |
| 284 | K | A | -4.0606 | |
| 285 | K | A | -3.9085 | |
| 286 | D | A | -2.9471 | |
| 287 | Y | A | 0.0000 | |
| 288 | E | A | -2.2882 | |
| 289 | F | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | T | A | -0.6892 | |
| 292 | I | A | 0.1591 | |
| 293 | L | A | 0.0000 | |
| 294 | H | A | -0.7972 | |
| 295 | S | A | -0.7060 | |
| 296 | K | A | -1.0743 | |
| 297 | G | A | -1.2472 | |
| 298 | K | A | -1.2025 | |
| 299 | L | A | 0.0000 | |
| 300 | D | A | -0.6755 | |
| 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 | 0.4265 | |
| 308 | S | A | 0.0000 | |
| 309 | R | A | 0.0000 | |
| 310 | L | A | 0.7437 | |
| 311 | V | A | 0.0000 | |
| 312 | Y | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | A | A | -1.2336 | |
| 315 | K | A | -2.4383 | |
| 316 | D | A | -2.9018 | |
| 317 | G | A | -2.1345 | |
| 318 | H | A | -1.5913 | |
| 319 | L | A | -0.6144 | |
| 320 | V | A | 1.0891 | |
| 321 | P | A | 1.1027 | |
| 322 | L | A | 0.9994 | |
| 323 | P | A | -0.1075 | |
| 324 | G | A | -0.7622 | |
| 325 | Y | A | -0.2385 | |
| 326 | G | A | 0.0000 | |
| 327 | F | A | 1.0614 | |
| 328 | M | A | 0.3604 | |
| 329 | S | A | -0.9550 | |
| 330 | E | A | -2.7045 | |
| 331 | R | A | -2.7954 | |
| 332 | G | A | -1.7417 | |
| 333 | G | A | -1.3228 | |
| 334 | F | A | -1.2788 | |
| 335 | A | A | 0.0000 | |
| 336 | K | A | -2.2192 | |
| 337 | S | A | -1.2754 | |
| 338 | G | A | 0.0000 | |
| 339 | R | A | -0.9350 | |
| 340 | P | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | D | A | -1.5135 | |
| 344 | F | A | -0.8081 | |
| 345 | G | A | 0.0000 | |
| 346 | W | A | -0.0104 | |
| 347 | E | A | 0.0000 | |
| 348 | M | A | 0.0000 | |
| 349 | Y | A | 0.0169 | |
| 350 | P | A | 0.0000 | |
| 351 | E | A | -1.0001 | |
| 352 | G | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -1.2424 | |
| 355 | N | A | -1.0505 | |
| 356 | L | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | K | A | -1.8120 | |
| 359 | Y | A | -0.8422 | |
| 360 | L | A | 0.0000 | |
| 361 | N | A | -2.0539 | |
| 362 | N | A | -1.8951 | |
| 363 | A | A | -1.0607 | |
| 364 | Y | A | -1.1328 | |
| 365 | E | A | -2.2961 | |
| 366 | L | A | -1.2372 | |
| 367 | P | A | -0.9607 | |
| 368 | M | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | E | A | -0.1570 | |
| 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 | -0.4144 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | 0.0000 | |
| 381 | R | A | -0.4538 | |
| 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 | -0.9400 | |
| 393 | A | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | Y | A | -1.1649 | |
| 396 | N | A | -1.8297 | |
| 397 | A | A | 0.0000 | |
| 398 | M | A | -1.9870 | |
| 399 | K | A | -2.8777 | |
| 400 | E | A | -3.1567 | |
| 401 | G | A | -2.4320 | |
| 402 | A | A | 0.0000 | |
| 403 | D | A | -2.3106 | |
| 404 | V | A | 0.0000 | |
| 405 | R | A | -1.4177 | |
| 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 | -0.7046 | |
| 418 | W | A | -0.1535 | |
| 419 | A | A | -0.7919 | |
| 420 | Q | A | -1.3819 | |
| 421 | G | A | 0.0000 | |
| 422 | F | A | -1.1194 | |
| 423 | R | A | -1.9701 | |
| 424 | M | A | -1.1040 | |
| 425 | R | A | -0.6516 | |
| 426 | F | A | 0.0000 | |
| 427 | G | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | Y | A | -0.3030 | |
| 431 | V | A | 0.0000 | |
| 432 | D | A | -1.3312 | |
| 433 | F | A | -1.3468 | |
| 434 | E | A | -2.2463 | |
| 435 | T | A | -1.5343 | |
| 436 | K | A | -1.4049 | |
| 437 | K | A | -1.7108 | |
| 438 | R | A | -1.1915 | |
| 439 | Y | A | 0.0000 | |
| 440 | L | A | -0.4232 | |
| 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 | -1.6253 | |
| 449 | E | A | -1.4918 | |
| 450 | I | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | T | A | -1.3602 | |
| 453 | Q | A | -1.5968 | |
| 454 | K | A | -1.6976 | |
| 455 | E | A | -1.7636 | |
| 456 | I | A | -1.2745 | |
| 457 | P | A | 0.0000 | |
| 458 | E | A | -2.4308 | |
| 459 | E | A | -2.2311 | |
| 460 | L | A | 0.0000 | |
| 461 | A | A | -1.1846 | |
| 462 | H | A | -1.0991 | |
| 463 | L | A | 0.0000 | |
| 464 | A | A | -0.8529 | |
| 465 | D | A | -1.5287 | |
| 466 | L | A | -1.2255 | |
| 467 | K | A | -1.9009 | |
| 468 | F | A | -0.6398 | |
| 469 | V | A | -0.7429 | |
| 470 | T | A | -1.2978 | |
| 471 | R | A | -2.1745 | |
| 1 | A | B | -1.6193 | |
| 2 | K | B | -2.6610 | |
| 3 | F | B | 0.0000 | |
| 4 | P | B | -2.0745 | |
| 5 | K | B | -2.9291 | |
| 6 | N | B | -2.4141 | |
| 7 | F | B | 0.0000 | |
| 8 | M | B | -1.1173 | |
| 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 | -0.0364 | |
| 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 | -0.2700 | |
| 23 | P | B | -0.6959 | |
| 24 | G | B | -1.0318 | |
| 25 | S | B | 0.0000 | |
| 26 | E | B | -2.1358 | |
| 27 | V | B | 0.0000 | |
| 28 | E | B | -1.9424 | |
| 29 | S | B | 0.0000 | |
| 30 | D | B | 0.0000 | |
| 31 | W | B | 0.0000 | |
| 32 | W | B | -0.5088 | |
| 33 | V | B | -0.1227 | |
| 34 | W | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | H | B | -0.5845 | |
| 37 | D | B | -0.8824 | |
| 38 | K | B | -1.5724 | |
| 39 | E | B | -0.6253 | |
| 40 | N | B | 0.0000 | |
| 41 | I | B | -0.0447 | |
| 42 | A | B | -0.1977 | |
| 43 | S | B | 0.0000 | |
| 44 | G | B | -0.3146 | |
| 45 | L | B | 0.0000 | |
| 46 | V | B | 0.0000 | |
| 47 | S | B | -0.5636 | |
| 48 | G | B | -0.7828 | |
| 49 | D | B | -0.9925 | |
| 50 | L | B | -0.2948 | |
| 51 | P | B | 0.0000 | |
| 52 | E | B | -1.3165 | |
| 53 | N | B | -1.2087 | |
| 54 | G | B | 0.0000 | |
| 55 | P | B | 0.0000 | |
| 56 | A | B | 0.0000 | |
| 57 | Y | B | 0.0000 | |
| 58 | W | B | 0.0000 | |
| 59 | H | B | -0.6202 | |
| 60 | L | B | -0.5335 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -2.7768 | |
| 63 | Q | B | -2.5331 | |
| 64 | D | B | 0.0000 | |
| 65 | H | B | 0.0000 | |
| 66 | D | B | -3.0758 | |
| 67 | I | B | -1.9795 | |
| 68 | A | B | 0.0000 | |
| 69 | E | B | -2.5503 | |
| 70 | K | B | -2.4813 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -1.3798 | |
| 73 | M | B | 0.0000 | |
| 74 | D | B | -1.1592 | |
| 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 | 0.0000 | |
| 84 | R | B | 0.0000 | |
| 85 | I | B | 0.0000 | |
| 86 | F | B | 0.0000 | |
| 87 | P | B | -1.3297 | |
| 88 | K | B | -1.6965 | |
| 89 | P | B | -0.9814 | |
| 90 | T | B | 0.0000 | |
| 91 | F | B | -1.0394 | |
| 92 | D | B | -2.1498 | |
| 93 | V | B | 0.0000 | |
| 94 | K | B | -2.4204 | |
| 95 | V | B | -1.7108 | |
| 96 | D | B | -2.8195 | |
| 97 | V | B | -1.7738 | |
| 98 | E | B | -2.5958 | |
| 99 | K | B | -2.8472 | |
| 100 | D | B | -2.8337 | |
| 101 | E | B | -3.2902 | |
| 102 | E | B | -3.3368 | |
| 103 | G | B | -2.5049 | |
| 104 | N | B | -1.7677 | |
| 105 | I | B | -0.4563 | |
| 106 | I | B | 0.1827 | |
| 107 | S | B | -1.0565 | |
| 108 | V | B | -1.5141 | |
| 109 | D | B | -3.0095 | |
| 110 | V | B | 0.0000 | |
| 111 | P | B | -1.9912 | |
| 112 | E | B | -2.4203 | |
| 113 | S | B | -2.0413 | |
| 114 | T | B | -2.2736 | |
| 115 | I | B | 0.0000 | |
| 116 | K | B | -3.5127 | |
| 117 | E | B | -3.6237 | |
| 118 | L | B | 0.0000 | |
| 119 | E | B | -2.5825 | |
| 120 | K | B | -2.7495 | |
| 121 | I | B | -1.6823 | |
| 122 | A | B | -1.4938 | |
| 123 | N | B | -1.6621 | |
| 124 | M | B | -1.6928 | |
| 125 | E | B | -2.6076 | |
| 126 | A | B | 0.0000 | |
| 127 | L | B | 0.0000 | |
| 128 | E | B | -3.1672 | |
| 129 | H | B | -2.3212 | |
| 130 | Y | B | 0.0000 | |
| 131 | R | B | -2.3960 | |
| 132 | K | B | -2.7241 | |
| 133 | I | B | 0.0000 | |
| 134 | Y | B | 0.0000 | |
| 135 | S | B | -2.0663 | |
| 136 | D | B | 0.0000 | |
| 137 | W | B | 0.0000 | |
| 138 | K | B | -2.8789 | |
| 139 | E | B | -2.7267 | |
| 140 | R | B | -2.2710 | |
| 141 | G | B | -1.8938 | |
| 142 | K | B | -1.7886 | |
| 143 | T | B | -1.1786 | |
| 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 | -0.0925 | |
| 151 | W | B | 0.1299 | |
| 152 | P | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | L | B | -0.1615 | |
| 156 | W | B | -0.2127 | |
| 157 | I | B | 0.0000 | |
| 158 | H | B | 0.0000 | |
| 159 | D | B | -0.1379 | |
| 160 | P | B | 0.0000 | |
| 161 | I | B | -0.1085 | |
| 162 | A | B | 0.0000 | |
| 163 | V | B | 0.0000 | |
| 164 | R | B | -0.9521 | |
| 165 | K | B | -1.9542 | |
| 166 | L | B | -1.3131 | |
| 167 | G | B | -1.7144 | |
| 168 | P | B | -1.7738 | |
| 169 | D | B | -2.8683 | |
| 170 | R | B | -2.8318 | |
| 171 | A | B | -1.6817 | |
| 172 | P | B | -0.7476 | |
| 173 | A | B | 0.0000 | |
| 174 | G | B | 0.0000 | |
| 175 | W | B | 0.0000 | |
| 176 | L | B | -1.1793 | |
| 177 | D | B | -1.8430 | |
| 178 | E | B | -2.4506 | |
| 179 | K | B | -2.3146 | |
| 180 | T | B | 0.0000 | |
| 181 | V | B | 0.0000 | |
| 182 | V | B | -0.5073 | |
| 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 | -0.1773 | |
| 194 | H | B | -0.4832 | |
| 195 | L | B | 0.0000 | |
| 196 | D | B | -1.6221 | |
| 197 | D | B | -2.2508 | |
| 198 | L | B | 0.0000 | |
| 199 | V | B | 0.0000 | |
| 200 | D | B | -1.9103 | |
| 201 | M | B | -0.8746 | |
| 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 | -0.1498 | |
| 208 | P | B | 0.0000 | |
| 209 | N | B | -0.7019 | |
| 210 | V | B | 0.0105 | |
| 211 | V | B | 0.0673 | |
| 212 | Y | B | 0.0000 | |
| 213 | N | B | -0.6592 | |
| 214 | Q | B | -0.5720 | |
| 215 | G | B | 0.0000 | |
| 216 | Y | B | 0.0000 | |
| 217 | I | B | -0.0311 | |
| 218 | N | B | -0.9073 | |
| 219 | L | B | 0.0000 | |
| 220 | R | B | -2.1272 | |
| 221 | S | B | -1.0039 | |
| 222 | G | B | 0.0000 | |
| 223 | F | B | -0.0070 | |
| 224 | P | B | 0.1847 | |
| 225 | P | B | 0.0000 | |
| 226 | G | B | -0.0765 | |
| 227 | Y | B | -0.0885 | |
| 228 | L | B | -0.2312 | |
| 229 | S | B | 0.0000 | |
| 230 | F | B | -0.9882 | |
| 231 | E | B | -2.3612 | |
| 232 | A | B | 0.0000 | |
| 233 | A | B | 0.0000 | |
| 234 | E | B | -2.6181 | |
| 235 | K | B | -1.9695 | |
| 236 | A | B | 0.0000 | |
| 237 | K | B | -1.1236 | |
| 238 | F | B | -0.3846 | |
| 239 | N | B | 0.0000 | |
| 240 | L | B | 0.0000 | |
| 241 | I | B | 0.0000 | |
| 242 | Q | B | 0.0637 | |
| 243 | A | B | 0.0000 | |
| 244 | H | B | 0.0000 | |
| 245 | I | B | -0.1591 | |
| 246 | G | B | 0.0000 | |
| 247 | A | B | 0.0000 | |
| 248 | Y | B | -1.1682 | |
| 249 | D | B | -2.4973 | |
| 250 | A | B | 0.0000 | |
| 251 | I | B | 0.0000 | |
| 252 | K | B | -2.4873 | |
| 253 | E | B | -2.8739 | |
| 254 | Y | B | -1.2896 | |
| 255 | S | B | 0.0000 | |
| 256 | E | B | -2.6002 | |
| 257 | K | B | -1.7035 | |
| 258 | S | B | -1.0256 | |
| 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 | -0.2505 | |
| 265 | F | B | 0.0000 | |
| 266 | A | B | -0.0523 | |
| 267 | W | B | -0.0963 | |
| 268 | H | B | 0.0000 | |
| 269 | D | B | -0.3007 | |
| 270 | P | B | -1.3652 | |
| 271 | L | B | 0.1560 | |
| 272 | A | B | -1.2427 | |
| 273 | E | B | -3.1890 | |
| 274 | E | B | -3.4595 | |
| 275 | Y | B | -3.0460 | |
| 276 | K | B | -4.2673 | |
| 277 | D | B | -4.6269 | |
| 278 | E | B | -4.3766 | |
| 279 | V | B | 0.0000 | |
| 280 | E | B | -4.2626 | |
| 281 | E | B | -4.6620 | |
| 282 | I | B | -3.3952 | |
| 283 | R | B | 0.0000 | |
| 284 | K | B | -4.3363 | |
| 285 | K | B | -4.3688 | |
| 286 | D | B | -3.6634 | |
| 287 | Y | B | 0.0000 | |
| 288 | E | B | -2.8333 | |
| 289 | F | B | 0.0000 | |
| 290 | V | B | 0.0000 | |
| 291 | T | B | -1.1804 | |
| 292 | I | B | -0.2677 | |
| 293 | L | B | 0.0000 | |
| 294 | H | B | -1.0852 | |
| 295 | S | B | -1.0077 | |
| 296 | K | B | -1.7246 | |
| 297 | G | B | -1.5127 | |
| 298 | K | B | -1.4357 | |
| 299 | L | B | 0.0000 | |
| 300 | D | B | -0.7396 | |
| 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 | 0.3017 | |
| 308 | S | B | 0.0000 | |
| 309 | R | B | 0.0000 | |
| 310 | L | B | 0.6241 | |
| 311 | V | B | 0.0000 | |
| 312 | Y | B | 0.0000 | |
| 313 | G | B | 0.0000 | |
| 314 | A | B | -1.3636 | |
| 315 | K | B | -2.7917 | |
| 316 | D | B | -3.0429 | |
| 317 | G | B | -2.2639 | |
| 318 | H | B | -2.3866 | |
| 319 | L | B | 0.0000 | |
| 320 | V | B | -0.2184 | |
| 321 | P | B | 0.4083 | |
| 322 | L | B | 0.4993 | |
| 323 | P | B | -0.2834 | |
| 324 | G | B | -0.5766 | |
| 325 | Y | B | -0.1766 | |
| 326 | G | B | 0.0000 | |
| 327 | F | B | 0.5775 | |
| 328 | M | B | 0.0978 | |
| 329 | S | B | 0.0000 | |
| 330 | E | B | -2.7408 | |
| 331 | R | B | -3.0360 | |
| 332 | G | B | -2.2290 | |
| 333 | G | B | -1.3807 | |
| 334 | F | B | -0.1571 | |
| 335 | A | B | 0.0000 | |
| 336 | K | B | -1.7743 | |
| 337 | S | B | -0.8897 | |
| 338 | G | B | -1.0423 | |
| 339 | R | B | -0.7348 | |
| 340 | P | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | S | B | 0.0000 | |
| 343 | D | B | -2.7799 | |
| 344 | F | B | -1.6613 | |
| 345 | G | B | 0.0000 | |
| 346 | W | B | -0.0639 | |
| 347 | E | B | 0.0000 | |
| 348 | M | B | 0.0000 | |
| 349 | Y | B | -0.0598 | |
| 350 | P | B | 0.0000 | |
| 351 | E | B | -1.2753 | |
| 352 | G | B | 0.0000 | |
| 353 | L | B | 0.0000 | |
| 354 | E | B | -1.6274 | |
| 355 | N | B | -1.5950 | |
| 356 | L | B | 0.0000 | |
| 357 | L | B | 0.0000 | |
| 358 | K | B | -2.0904 | |
| 359 | Y | B | -0.8243 | |
| 360 | L | B | 0.0000 | |
| 361 | N | B | -2.1240 | |
| 362 | N | B | -2.0734 | |
| 363 | A | B | -1.0007 | |
| 364 | Y | B | -1.1316 | |
| 365 | E | B | -2.3661 | |
| 366 | L | B | -1.2457 | |
| 367 | P | B | -1.1762 | |
| 368 | M | B | 0.0000 | |
| 369 | I | B | 0.0000 | |
| 370 | I | B | 0.0000 | |
| 371 | T | B | 0.0000 | |
| 372 | E | B | -0.1768 | |
| 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 | -0.3778 | |
| 379 | A | B | 0.0000 | |
| 380 | D | B | 0.0000 | |
| 381 | R | B | -0.2932 | |
| 382 | Y | B | -0.0321 | |
| 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 | -0.7048 | |
| 393 | A | B | 0.0000 | |
| 394 | V | B | 0.0000 | |
| 395 | Y | B | -1.1444 | |
| 396 | N | B | -1.7735 | |
| 397 | A | B | 0.0000 | |
| 398 | M | B | -1.8763 | |
| 399 | K | B | -2.8051 | |
| 400 | E | B | -3.3439 | |
| 401 | G | B | -2.5562 | |
| 402 | A | B | 0.0000 | |
| 403 | D | B | -2.1956 | |
| 404 | V | B | 0.0000 | |
| 405 | R | B | -1.8846 | |
| 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 | -0.6888 | |
| 418 | W | B | 0.0000 | |
| 419 | A | B | -0.2537 | |
| 420 | Q | B | -1.0053 | |
| 421 | G | B | 0.0000 | |
| 422 | F | B | -0.9552 | |
| 423 | R | B | -2.1540 | |
| 424 | M | B | 0.0000 | |
| 425 | R | B | -0.8820 | |
| 426 | F | B | 0.0000 | |
| 427 | G | B | 0.0000 | |
| 428 | L | B | 0.0000 | |
| 429 | V | B | 0.0000 | |
| 430 | Y | B | -0.3360 | |
| 431 | V | B | 0.0000 | |
| 432 | D | B | -1.5761 | |
| 433 | F | B | 0.0000 | |
| 434 | E | B | -2.3883 | |
| 435 | T | B | -1.6261 | |
| 436 | K | B | -1.4922 | |
| 437 | K | B | -1.7369 | |
| 438 | R | B | -1.2834 | |
| 439 | Y | B | -0.9767 | |
| 440 | L | B | -0.3578 | |
| 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 | -1.1996 | |
| 449 | E | B | -1.2348 | |
| 450 | I | B | 0.0000 | |
| 451 | A | B | 0.0000 | |
| 452 | T | B | -1.6346 | |
| 453 | Q | B | -2.2122 | |
| 454 | K | B | 0.0000 | |
| 455 | E | B | -2.4059 | |
| 456 | I | B | 0.0000 | |
| 457 | P | B | -1.8847 | |
| 458 | E | B | -2.5109 | |
| 459 | E | B | -1.8531 | |
| 460 | L | B | 0.0000 | |
| 461 | A | B | -1.3299 | |
| 462 | H | B | -1.2731 | |
| 463 | L | B | 0.0000 | |
| 464 | A | B | -1.1625 | |
| 465 | D | B | -2.1389 | |
| 466 | L | B | -1.4144 | |
| 467 | K | B | -2.1038 | |
| 468 | F | B | -0.8421 | |
| 469 | V | B | 0.0000 | |
| 470 | T | B | -0.8995 | |
| 471 | R | B | -1.3150 | |
| 1 | A | C | -0.8896 | |
| 2 | K | C | -2.3884 | |
| 3 | F | C | 0.0000 | |
| 4 | P | C | -2.1292 | |
| 5 | K | C | -2.8630 | |
| 6 | N | C | -2.4271 | |
| 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 | -0.1230 | |
| 16 | F | C | 0.0000 | |
| 17 | Q | C | -0.1429 | |
| 18 | F | C | 0.0000 | |
| 19 | E | C | 0.0000 | |
| 20 | M | C | 0.0000 | |
| 21 | G | C | 0.0000 | |
| 22 | L | C | -0.7399 | |
| 23 | P | C | -1.1132 | |
| 24 | G | C | -1.0781 | |
| 25 | S | C | 0.0000 | |
| 26 | E | C | -2.5190 | |
| 27 | V | C | 0.0000 | |
| 28 | E | C | -2.0210 | |
| 29 | S | C | 0.0000 | |
| 30 | D | C | 0.0000 | |
| 31 | W | C | 0.0000 | |
| 32 | W | C | -0.2970 | |
| 33 | V | C | -0.1737 | |
| 34 | W | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | H | C | -0.3957 | |
| 37 | D | C | -0.8244 | |
| 38 | K | C | -1.6583 | |
| 39 | E | C | -1.1978 | |
| 40 | N | C | 0.0000 | |
| 41 | I | C | 0.8682 | |
| 42 | A | C | 0.1368 | |
| 43 | S | C | 0.0646 | |
| 44 | G | C | 0.0804 | |
| 45 | L | C | 0.0000 | |
| 46 | V | C | 0.1621 | |
| 47 | S | C | -0.1832 | |
| 48 | G | C | 0.0158 | |
| 49 | D | C | 0.0000 | |
| 50 | L | C | -0.2690 | |
| 51 | P | C | 0.0000 | |
| 52 | E | C | -2.0467 | |
| 53 | N | C | -1.8867 | |
| 54 | G | C | 0.0000 | |
| 55 | P | C | 0.0000 | |
| 56 | A | C | 0.0000 | |
| 57 | Y | C | 0.0000 | |
| 58 | W | C | -0.5465 | |
| 59 | H | C | -0.7930 | |
| 60 | L | C | -0.6530 | |
| 61 | Y | C | 0.0000 | |
| 62 | K | C | -2.6820 | |
| 63 | Q | C | -2.1991 | |
| 64 | D | C | 0.0000 | |
| 65 | H | C | 0.0000 | |
| 66 | D | C | -2.9407 | |
| 67 | I | C | 0.0000 | |
| 68 | A | C | 0.0000 | |
| 69 | E | C | -2.2051 | |
| 70 | K | C | -2.1763 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | 0.0000 | |
| 73 | M | C | 0.0000 | |
| 74 | D | C | -0.9945 | |
| 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 | -0.2116 | |
| 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 | -1.1665 | |
| 88 | K | C | -1.3315 | |
| 89 | P | C | -0.7713 | |
| 90 | T | C | 0.0000 | |
| 91 | F | C | -0.7172 | |
| 92 | D | C | -1.8099 | |
| 93 | V | C | 0.0000 | |
| 94 | K | C | -2.3889 | |
| 95 | V | C | -1.8119 | |
| 96 | D | C | -2.8264 | |
| 97 | V | C | -1.8756 | |
| 98 | E | C | -2.5318 | |
| 99 | K | C | -2.8607 | |
| 100 | D | C | -3.4780 | |
| 101 | E | C | -3.6665 | |
| 102 | E | C | -3.5738 | |
| 103 | G | C | -2.8266 | |
| 104 | N | C | -1.9128 | |
| 105 | I | C | 0.0000 | |
| 106 | I | C | 0.6580 | |
| 107 | S | C | -0.7832 | |
| 108 | V | C | 0.0000 | |
| 109 | D | C | -3.1206 | |
| 110 | V | C | 0.0000 | |
| 111 | P | C | -2.1572 | |
| 112 | E | C | -2.6293 | |
| 113 | S | C | -2.0921 | |
| 114 | T | C | 0.0000 | |
| 115 | I | C | 0.0000 | |
| 116 | K | C | -3.1473 | |
| 117 | E | C | -3.4638 | |
| 118 | L | C | 0.0000 | |
| 119 | E | C | -2.0428 | |
| 120 | K | C | -2.4318 | |
| 121 | I | C | -1.3494 | |
| 122 | A | C | -1.3306 | |
| 123 | N | C | -1.4871 | |
| 124 | M | C | -1.5265 | |
| 125 | E | C | -2.4919 | |
| 126 | A | C | 0.0000 | |
| 127 | L | C | 0.0000 | |
| 128 | E | C | -3.0851 | |
| 129 | H | C | -2.2894 | |
| 130 | Y | C | 0.0000 | |
| 131 | R | C | -2.4716 | |
| 132 | K | C | -2.8321 | |
| 133 | I | C | 0.0000 | |
| 134 | Y | C | 0.0000 | |
| 135 | S | C | -2.2305 | |
| 136 | D | C | -2.2286 | |
| 137 | W | C | 0.0000 | |
| 138 | K | C | -2.4673 | |
| 139 | E | C | -2.8376 | |
| 140 | R | C | -2.2710 | |
| 141 | G | C | -1.8792 | |
| 142 | K | C | -1.6897 | |
| 143 | T | C | -0.8714 | |
| 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 | -0.1211 | |
| 151 | W | C | 0.0849 | |
| 152 | P | C | 0.0000 | |
| 153 | L | C | 0.0000 | |
| 154 | P | C | 0.0000 | |
| 155 | L | C | -0.2245 | |
| 156 | W | C | -0.2456 | |
| 157 | I | C | 0.0000 | |
| 158 | H | C | 0.0000 | |
| 159 | D | C | -0.4511 | |
| 160 | P | C | 0.0000 | |
| 161 | I | C | -0.2923 | |
| 162 | A | C | -0.8953 | |
| 163 | V | C | 0.0000 | |
| 164 | R | C | -0.7858 | |
| 165 | K | C | -1.5576 | |
| 166 | L | C | -0.6781 | |
| 167 | G | C | 0.0000 | |
| 168 | P | C | -1.7068 | |
| 169 | D | C | -2.4437 | |
| 170 | R | C | -2.5351 | |
| 171 | A | C | -1.4892 | |
| 172 | P | C | -0.9144 | |
| 173 | A | C | 0.0000 | |
| 174 | G | C | 0.0000 | |
| 175 | W | C | 0.0000 | |
| 176 | L | C | 0.0000 | |
| 177 | D | C | -2.2042 | |
| 178 | E | C | -2.7722 | |
| 179 | K | C | -2.4908 | |
| 180 | T | C | 0.0000 | |
| 181 | V | C | 0.0000 | |
| 182 | V | C | -0.7789 | |
| 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 | -0.4458 | |
| 194 | H | C | -0.4133 | |
| 195 | L | C | 0.0000 | |
| 196 | D | C | -1.6261 | |
| 197 | D | C | -2.3985 | |
| 198 | L | C | 0.0000 | |
| 199 | V | C | 0.0000 | |
| 200 | D | C | -1.2254 | |
| 201 | M | C | -0.5258 | |
| 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 | -0.2258 | |
| 208 | P | C | 0.0000 | |
| 209 | N | C | -0.6997 | |
| 210 | V | C | -0.2420 | |
| 211 | V | C | -0.1342 | |
| 212 | Y | C | 0.0000 | |
| 213 | N | C | -0.7717 | |
| 214 | Q | C | -0.9351 | |
| 215 | G | C | 0.0000 | |
| 216 | Y | C | 0.0000 | |
| 217 | I | C | 0.0000 | |
| 218 | N | C | -1.0372 | |
| 219 | L | C | 0.0000 | |
| 220 | R | C | -2.0911 | |
| 221 | S | C | -1.0862 | |
| 222 | G | C | 0.0000 | |
| 223 | F | C | 0.0000 | |
| 224 | P | C | -0.0146 | |
| 225 | P | C | 0.0000 | |
| 226 | G | C | -0.5328 | |
| 227 | Y | C | -0.1306 | |
| 228 | L | C | 0.0000 | |
| 229 | S | C | 0.0000 | |
| 230 | F | C | -0.2637 | |
| 231 | E | C | -1.8453 | |
| 232 | A | C | 0.0000 | |
| 233 | A | C | 0.0000 | |
| 234 | E | C | -1.6419 | |
| 235 | K | C | -1.5480 | |
| 236 | A | C | 0.0000 | |
| 237 | K | C | -0.6352 | |
| 238 | F | C | 0.5078 | |
| 239 | N | C | -0.6351 | |
| 240 | L | C | 0.0000 | |
| 241 | I | C | 0.3772 | |
| 242 | Q | C | 0.0213 | |
| 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 | 0.0000 | |
| 249 | D | C | -2.1943 | |
| 250 | A | C | 0.0000 | |
| 251 | I | C | 0.0000 | |
| 252 | K | C | -3.3415 | |
| 253 | E | C | -3.2405 | |
| 254 | Y | C | -1.8211 | |
| 255 | S | C | 0.0000 | |
| 256 | E | C | -3.0381 | |
| 257 | K | C | -2.1725 | |
| 258 | S | C | -1.2048 | |
| 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 | -0.2363 | |
| 265 | F | C | 0.0000 | |
| 266 | A | C | -0.1211 | |
| 267 | W | C | 0.0000 | |
| 268 | H | C | 0.0000 | |
| 269 | D | C | -0.5145 | |
| 270 | P | C | -1.1369 | |
| 271 | L | C | 0.6704 | |
| 272 | A | C | -0.9497 | |
| 273 | E | C | -3.1280 | |
| 274 | E | C | -3.3526 | |
| 275 | Y | C | -3.1459 | |
| 276 | K | C | -4.3619 | |
| 277 | D | C | -4.8376 | |
| 278 | E | C | -4.5186 | |
| 279 | V | C | 0.0000 | |
| 280 | E | C | -4.8896 | |
| 281 | E | C | -4.9100 | |
| 282 | I | C | -3.4657 | |
| 283 | R | C | -3.7997 | |
| 284 | K | C | -4.5926 | |
| 285 | K | C | -4.5319 | |
| 286 | D | C | -3.7657 | |
| 287 | Y | C | 0.0000 | |
| 288 | E | C | -3.2787 | |
| 289 | F | C | 0.0000 | |
| 290 | V | C | 0.0000 | |
| 291 | T | C | -1.4229 | |
| 292 | I | C | -0.5311 | |
| 293 | L | C | 0.0000 | |
| 294 | H | C | -1.2967 | |
| 295 | S | C | -1.2796 | |
| 296 | K | C | -1.9572 | |
| 297 | G | C | -1.5030 | |
| 298 | K | C | -1.1816 | |
| 299 | L | C | 0.0000 | |
| 300 | D | C | -0.7129 | |
| 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 | 0.2555 | |
| 308 | S | C | 0.0000 | |
| 309 | R | C | 0.1475 | |
| 310 | L | C | 0.4761 | |
| 311 | V | C | 0.0000 | |
| 312 | Y | C | 0.0000 | |
| 313 | G | C | 0.0000 | |
| 314 | A | C | -1.4251 | |
| 315 | K | C | -2.9006 | |
| 316 | D | C | -3.1411 | |
| 317 | G | C | -2.5005 | |
| 318 | H | C | -2.3311 | |
| 319 | L | C | 0.0000 | |
| 320 | V | C | -0.4521 | |
| 321 | P | C | 0.3034 | |
| 322 | L | C | 0.5911 | |
| 323 | P | C | -0.2838 | |
| 324 | G | C | -0.6509 | |
| 325 | Y | C | -0.2173 | |
| 326 | G | C | 0.0000 | |
| 327 | F | C | 0.5700 | |
| 328 | M | C | 0.1625 | |
| 329 | S | C | -1.1454 | |
| 330 | E | C | -2.6885 | |
| 331 | R | C | -2.6309 | |
| 332 | G | C | -1.5409 | |
| 333 | G | C | -1.4292 | |
| 334 | F | C | -1.0062 | |
| 335 | A | C | 0.0000 | |
| 336 | K | C | -2.1140 | |
| 337 | S | C | -1.2728 | |
| 338 | G | C | -1.4046 | |
| 339 | R | C | -1.1250 | |
| 340 | P | C | 0.0000 | |
| 341 | A | C | 0.0000 | |
| 342 | S | C | 0.0000 | |
| 343 | D | C | -1.4706 | |
| 344 | F | C | -0.8090 | |
| 345 | G | C | 0.0000 | |
| 346 | W | C | -0.0187 | |
| 347 | E | C | 0.0000 | |
| 348 | M | C | 0.0000 | |
| 349 | Y | C | -0.0476 | |
| 350 | P | C | 0.0000 | |
| 351 | E | C | -1.3001 | |
| 352 | G | C | 0.0000 | |
| 353 | L | C | 0.0000 | |
| 354 | E | C | -1.5732 | |
| 355 | N | C | -1.3325 | |
| 356 | L | C | 0.0000 | |
| 357 | L | C | 0.0000 | |
| 358 | K | C | -1.7182 | |
| 359 | Y | C | -0.8915 | |
| 360 | L | C | 0.0000 | |
| 361 | N | C | -1.7071 | |
| 362 | N | C | -2.0385 | |
| 363 | A | C | -1.1183 | |
| 364 | Y | C | 0.0000 | |
| 365 | E | C | -2.3220 | |
| 366 | L | C | -1.2311 | |
| 367 | P | C | -1.1068 | |
| 368 | M | C | 0.0000 | |
| 369 | I | C | 0.0000 | |
| 370 | I | C | 0.0000 | |
| 371 | T | C | 0.0000 | |
| 372 | E | C | -0.1397 | |
| 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 | -0.4258 | |
| 379 | A | C | -0.1466 | |
| 380 | D | C | 0.0000 | |
| 381 | R | C | -0.4514 | |
| 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 | -0.9012 | |
| 393 | A | C | 0.0000 | |
| 394 | V | C | 0.0000 | |
| 395 | Y | C | -0.8912 | |
| 396 | N | C | -1.5416 | |
| 397 | A | C | 0.0000 | |
| 398 | M | C | -1.9163 | |
| 399 | K | C | -2.6887 | |
| 400 | E | C | -3.0565 | |
| 401 | G | C | -2.1748 | |
| 402 | A | C | 0.0000 | |
| 403 | D | C | -2.0059 | |
| 404 | V | C | 0.0000 | |
| 405 | R | C | -1.6868 | |
| 406 | G | C | 0.0000 | |
| 407 | Y | C | 0.0000 | |
| 408 | L | C | 0.0000 | |
| 409 | H | C | 0.0000 | |
| 410 | W | C | 0.0575 | |
| 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 | -0.6003 | |
| 418 | W | C | 0.0000 | |
| 419 | A | C | -0.7018 | |
| 420 | Q | C | -0.9606 | |
| 421 | G | C | 0.0000 | |
| 422 | F | C | -0.8801 | |
| 423 | R | C | -1.9256 | |
| 424 | M | C | 0.0000 | |
| 425 | R | C | -0.6507 | |
| 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 | -1.6141 | |
| 433 | F | C | -1.6858 | |
| 434 | E | C | -2.4108 | |
| 435 | T | C | -1.7324 | |
| 436 | K | C | -1.8098 | |
| 437 | K | C | -2.2342 | |
| 438 | R | C | -1.3407 | |
| 439 | Y | C | -1.0700 | |
| 440 | L | C | 0.0000 | |
| 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 | -2.0223 | |
| 449 | E | C | -1.7697 | |
| 450 | I | C | 0.0000 | |
| 451 | A | C | 0.0000 | |
| 452 | T | C | -1.6550 | |
| 453 | Q | C | -1.9274 | |
| 454 | K | C | -2.1692 | |
| 455 | E | C | -1.9543 | |
| 456 | I | C | -1.3721 | |
| 457 | P | C | -1.7774 | |
| 458 | E | C | -2.3765 | |
| 459 | E | C | -2.0222 | |
| 460 | L | C | 0.0000 | |
| 461 | A | C | -1.4015 | |
| 462 | H | C | -1.4616 | |
| 463 | L | C | 0.0000 | |
| 464 | A | C | -1.1701 | |
| 465 | D | C | -2.0677 | |
| 466 | L | C | 0.0000 | |
| 467 | K | C | -2.2798 | |
| 468 | F | C | -0.8672 | |
| 469 | V | C | 0.0000 | |
| 470 | T | C | -1.4505 | |
| 471 | R | C | -2.2756 | |
| 1 | A | D | -1.0847 | |
| 2 | K | D | -2.3922 | |
| 3 | F | D | 0.0000 | |
| 4 | P | D | -2.0043 | |
| 5 | K | D | -2.8226 | |
| 6 | N | D | -2.4219 | |
| 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 | -0.3459 | |
| 22 | L | D | -0.3337 | |
| 23 | P | D | -0.7337 | |
| 24 | G | D | -1.2096 | |
| 25 | S | D | -1.1494 | |
| 26 | E | D | -2.3079 | |
| 27 | V | D | 0.0000 | |
| 28 | E | D | -1.9818 | |
| 29 | S | D | 0.0000 | |
| 30 | D | D | 0.0000 | |
| 31 | W | D | 0.0000 | |
| 32 | W | D | -0.4465 | |
| 33 | V | D | -0.2333 | |
| 34 | W | D | 0.0000 | |
| 35 | V | D | 0.0000 | |
| 36 | H | D | -0.5857 | |
| 37 | D | D | -0.9770 | |
| 38 | K | D | -1.6011 | |
| 39 | E | D | -0.8680 | |
| 40 | N | D | 0.0000 | |
| 41 | I | D | -0.2928 | |
| 42 | A | D | -0.0788 | |
| 43 | S | D | 0.0000 | |
| 44 | G | D | -0.5009 | |
| 45 | L | D | 0.0000 | |
| 46 | V | D | 0.0000 | |
| 47 | S | D | -0.3972 | |
| 48 | G | D | -0.4222 | |
| 49 | D | D | -0.1696 | |
| 50 | L | D | 0.8364 | |
| 51 | P | D | 0.0000 | |
| 52 | E | D | -0.5481 | |
| 53 | N | D | -0.3733 | |
| 54 | G | D | 0.0000 | |
| 55 | P | D | 0.0000 | |
| 56 | A | D | 0.0000 | |
| 57 | Y | D | 0.0000 | |
| 58 | W | D | -0.3164 | |
| 59 | H | D | -1.0121 | |
| 60 | L | D | -0.9336 | |
| 61 | Y | D | -1.1818 | |
| 62 | K | D | -2.4676 | |
| 63 | Q | D | -2.2662 | |
| 64 | D | D | 0.0000 | |
| 65 | H | D | 0.0000 | |
| 66 | D | D | -3.2297 | |
| 67 | I | D | 0.0000 | |
| 68 | A | D | 0.0000 | |
| 69 | E | D | -2.8456 | |
| 70 | K | D | -2.6358 | |
| 71 | L | D | 0.0000 | |
| 72 | G | D | -1.7223 | |
| 73 | M | D | 0.0000 | |
| 74 | D | D | -1.1726 | |
| 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 | -1.1370 | |
| 85 | I | D | 0.0000 | |
| 86 | F | D | 0.0000 | |
| 87 | P | D | -1.3133 | |
| 88 | K | D | -1.6946 | |
| 89 | P | D | -0.7618 | |
| 90 | T | D | 0.0000 | |
| 91 | F | D | -0.5039 | |
| 92 | D | D | -1.9989 | |
| 93 | V | D | 0.0000 | |
| 94 | K | D | -2.5490 | |
| 95 | V | D | -2.0902 | |
| 96 | D | D | -3.1077 | |
| 97 | V | D | -2.0474 | |
| 98 | E | D | -2.4505 | |
| 99 | K | D | -2.6093 | |
| 100 | D | D | -2.8783 | |
| 101 | E | D | -3.4400 | |
| 102 | E | D | -3.3862 | |
| 103 | G | D | -2.7687 | |
| 104 | N | D | -1.5126 | |
| 105 | I | D | -0.2706 | |
| 106 | I | D | 0.9376 | |
| 107 | S | D | -0.6637 | |
| 108 | V | D | -1.6016 | |
| 109 | D | D | -2.9179 | |
| 110 | V | D | 0.0000 | |
| 111 | P | D | -2.2144 | |
| 112 | E | D | -2.4036 | |
| 113 | S | D | -1.9662 | |
| 114 | T | D | -2.3299 | |
| 115 | I | D | 0.0000 | |
| 116 | K | D | -2.8592 | |
| 117 | E | D | -3.5997 | |
| 118 | L | D | 0.0000 | |
| 119 | E | D | -1.9080 | |
| 120 | K | D | -2.4626 | |
| 121 | I | D | -1.5071 | |
| 122 | A | D | -1.5286 | |
| 123 | N | D | -1.6144 | |
| 124 | M | D | -1.3682 | |
| 125 | E | D | -2.4179 | |
| 126 | A | D | 0.0000 | |
| 127 | L | D | 0.0000 | |
| 128 | E | D | -2.6576 | |
| 129 | H | D | -2.0789 | |
| 130 | Y | D | 0.0000 | |
| 131 | R | D | -2.6626 | |
| 132 | K | D | -2.3030 | |
| 133 | I | D | 0.0000 | |
| 134 | Y | D | 0.0000 | |
| 135 | S | D | -2.0543 | |
| 136 | D | D | -1.9263 | |
| 137 | W | D | 0.0000 | |
| 138 | K | D | -2.2699 | |
| 139 | E | D | -2.5390 | |
| 140 | R | D | -2.1188 | |
| 141 | G | D | -1.7173 | |
| 142 | K | D | -1.5533 | |
| 143 | T | D | -0.6913 | |
| 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 | 0.2019 | |
| 152 | P | D | 0.0000 | |
| 153 | L | D | 0.0000 | |
| 154 | P | D | 0.0000 | |
| 155 | L | D | -0.3153 | |
| 156 | W | D | -0.3786 | |
| 157 | I | D | 0.0000 | |
| 158 | H | D | 0.0000 | |
| 159 | D | D | -0.0413 | |
| 160 | P | D | 0.0000 | |
| 161 | I | D | 0.2364 | |
| 162 | A | D | 0.0000 | |
| 163 | V | D | 0.0000 | |
| 164 | R | D | 0.0000 | |
| 165 | K | D | -0.4429 | |
| 166 | L | D | -0.2516 | |
| 167 | G | D | -1.0009 | |
| 168 | P | D | -1.5165 | |
| 169 | D | D | -2.6974 | |
| 170 | R | D | -2.6048 | |
| 171 | A | D | -1.5485 | |
| 172 | P | D | -0.9432 | |
| 173 | A | D | 0.0000 | |
| 174 | G | D | 0.0000 | |
| 175 | W | D | 0.0000 | |
| 176 | L | D | 0.0000 | |
| 177 | D | D | -2.4822 | |
| 178 | E | D | -3.1865 | |
| 179 | K | D | -2.2713 | |
| 180 | T | D | 0.0000 | |
| 181 | V | D | 0.0000 | |
| 182 | V | D | -0.9823 | |
| 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 | -0.6937 | |
| 194 | H | D | -0.6944 | |
| 195 | L | D | 0.0000 | |
| 196 | D | D | -1.7469 | |
| 197 | D | D | -2.2732 | |
| 198 | L | D | 0.0000 | |
| 199 | V | D | 0.0000 | |
| 200 | D | D | -1.3714 | |
| 201 | M | D | -0.6897 | |
| 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 | -0.1225 | |
| 208 | P | D | 0.0000 | |
| 209 | N | D | -0.3733 | |
| 210 | V | D | -0.0345 | |
| 211 | V | D | 0.0963 | |
| 212 | Y | D | -0.6229 | |
| 213 | N | D | -0.4813 | |
| 214 | Q | D | -0.4938 | |
| 215 | G | D | 0.0000 | |
| 216 | Y | D | 0.0000 | |
| 217 | I | D | 0.0359 | |
| 218 | N | D | -0.4290 | |
| 219 | L | D | 0.0000 | |
| 220 | R | D | -0.9867 | |
| 221 | S | D | -0.4103 | |
| 222 | G | D | 0.0000 | |
| 223 | F | D | 0.0697 | |
| 224 | P | D | 0.0632 | |
| 225 | P | D | 0.0000 | |
| 226 | G | D | -0.1004 | |
| 227 | Y | D | -0.2898 | |
| 228 | L | D | 0.0000 | |
| 229 | S | D | -1.0057 | |
| 230 | F | D | -0.9277 | |
| 231 | E | D | -2.5817 | |
| 232 | A | D | 0.0000 | |
| 233 | A | D | -1.7771 | |
| 234 | E | D | -3.1880 | |
| 235 | K | D | -3.3086 | |
| 236 | A | D | 0.0000 | |
| 237 | K | D | -1.6173 | |
| 238 | F | D | -1.2039 | |
| 239 | N | D | 0.0000 | |
| 240 | L | D | 0.0000 | |
| 241 | I | D | 0.0000 | |
| 242 | Q | D | 0.0000 | |
| 243 | A | D | 0.0000 | |
| 244 | H | D | 0.0000 | |
| 245 | I | D | 0.0513 | |
| 246 | G | D | 0.0000 | |
| 247 | A | D | 0.0000 | |
| 248 | Y | D | -0.6349 | |
| 249 | D | D | -1.5041 | |
| 250 | A | D | 0.0000 | |
| 251 | I | D | 0.0000 | |
| 252 | K | D | -2.0814 | |
| 253 | E | D | -2.6506 | |
| 254 | Y | D | -1.5705 | |
| 255 | S | D | -2.0205 | |
| 256 | E | D | -2.5560 | |
| 257 | K | D | -1.6206 | |
| 258 | S | D | -0.8954 | |
| 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 | -0.1076 | |
| 265 | F | D | 0.0000 | |
| 266 | A | D | 0.0103 | |
| 267 | W | D | 0.0000 | |
| 268 | H | D | 0.0000 | |
| 269 | D | D | -0.3051 | |
| 270 | P | D | -1.0420 | |
| 271 | L | D | 0.5589 | |
| 272 | A | D | -1.0696 | |
| 273 | E | D | -3.1119 | |
| 274 | E | D | -3.4372 | |
| 275 | Y | D | -2.8511 | |
| 276 | K | D | -4.3794 | |
| 277 | D | D | -4.6291 | |
| 278 | E | D | -4.2312 | |
| 279 | V | D | 0.0000 | |
| 280 | E | D | -4.0962 | |
| 281 | E | D | -4.5119 | |
| 282 | I | D | -3.0120 | |
| 283 | R | D | -3.1279 | |
| 284 | K | D | -4.0035 | |
| 285 | K | D | -3.7390 | |
| 286 | D | D | -2.5206 | |
| 287 | Y | D | 0.0000 | |
| 288 | E | D | -2.2398 | |
| 289 | F | D | 0.0000 | |
| 290 | V | D | 0.0000 | |
| 291 | T | D | -1.0449 | |
| 292 | I | D | -0.4019 | |
| 293 | L | D | 0.0000 | |
| 294 | H | D | -1.3023 | |
| 295 | S | D | -1.2132 | |
| 296 | K | D | -2.1186 | |
| 297 | G | D | -1.6163 | |
| 298 | K | D | -1.3151 | |
| 299 | L | D | 0.0000 | |
| 300 | D | D | -0.6307 | |
| 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 | 0.2927 | |
| 308 | S | D | 0.0000 | |
| 309 | R | D | 0.2315 | |
| 310 | L | D | 0.6434 | |
| 311 | V | D | 0.0000 | |
| 312 | Y | D | 0.0000 | |
| 313 | G | D | 0.0000 | |
| 314 | A | D | -1.2470 | |
| 315 | K | D | -2.8309 | |
| 316 | D | D | -3.0457 | |
| 317 | G | D | -2.3878 | |
| 318 | H | D | -2.1584 | |
| 319 | L | D | -0.9622 | |
| 320 | V | D | -0.1945 | |
| 321 | P | D | 0.5188 | |
| 322 | L | D | 0.7623 | |
| 323 | P | D | -0.2346 | |
| 324 | G | D | -0.7221 | |
| 325 | Y | D | -0.2386 | |
| 326 | G | D | 0.0000 | |
| 327 | F | D | 0.8426 | |
| 328 | M | D | 0.3763 | |
| 329 | S | D | -0.9873 | |
| 330 | E | D | -2.4606 | |
| 331 | R | D | -2.1853 | |
| 332 | G | D | -1.3470 | |
| 333 | G | D | -1.2049 | |
| 334 | F | D | -0.8665 | |
| 335 | A | D | 0.0000 | |
| 336 | K | D | -2.1541 | |
| 337 | S | D | -1.2549 | |
| 338 | G | D | 0.0000 | |
| 339 | R | D | -1.1243 | |
| 340 | P | D | 0.0000 | |
| 341 | A | D | 0.0000 | |
| 342 | S | D | 0.0000 | |
| 343 | D | D | -0.9970 | |
| 344 | F | D | 0.1300 | |
| 345 | G | D | 0.0000 | |
| 346 | W | D | 0.2590 | |
| 347 | E | D | 0.0000 | |
| 348 | M | D | 0.0000 | |
| 349 | Y | D | -0.5138 | |
| 350 | P | D | -1.1921 | |
| 351 | E | D | -2.3433 | |
| 352 | G | D | 0.0000 | |
| 353 | L | D | 0.0000 | |
| 354 | E | D | -2.0132 | |
| 355 | N | D | -1.9079 | |
| 356 | L | D | 0.0000 | |
| 357 | L | D | 0.0000 | |
| 358 | K | D | -2.1600 | |
| 359 | Y | D | -0.9270 | |
| 360 | L | D | 0.0000 | |
| 361 | N | D | -2.0207 | |
| 362 | N | D | -1.9311 | |
| 363 | A | D | -1.0984 | |
| 364 | Y | D | 0.0000 | |
| 365 | E | D | -2.5100 | |
| 366 | L | D | 0.0000 | |
| 367 | P | D | -1.1047 | |
| 368 | M | D | 0.0000 | |
| 369 | I | D | 0.0000 | |
| 370 | I | D | 0.0000 | |
| 371 | T | D | 0.0000 | |
| 372 | E | D | 0.0000 | |
| 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 | -0.5036 | |
| 379 | A | D | -0.0721 | |
| 380 | D | D | 0.0000 | |
| 381 | R | D | -0.2827 | |
| 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 | -0.7139 | |
| 393 | A | D | 0.0000 | |
| 394 | V | D | 0.0000 | |
| 395 | Y | D | -0.7476 | |
| 396 | N | D | -1.9271 | |
| 397 | A | D | 0.0000 | |
| 398 | M | D | -2.0683 | |
| 399 | K | D | -2.9199 | |
| 400 | E | D | -3.1763 | |
| 401 | G | D | -2.6594 | |
| 402 | A | D | 0.0000 | |
| 403 | D | D | -2.0860 | |
| 404 | V | D | 0.0000 | |
| 405 | R | D | -1.7334 | |
| 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 | -0.6116 | |
| 418 | W | D | -0.3143 | |
| 419 | A | D | 0.0000 | |
| 420 | Q | D | -1.5253 | |
| 421 | G | D | -0.9759 | |
| 422 | F | D | -0.9949 | |
| 423 | R | D | -1.8242 | |
| 424 | M | D | -0.5659 | |
| 425 | R | D | -0.2750 | |
| 426 | F | D | 0.2908 | |
| 427 | G | D | 0.0000 | |
| 428 | L | D | 0.0000 | |
| 429 | V | D | 0.0000 | |
| 430 | Y | D | -0.0681 | |
| 431 | V | D | 0.0000 | |
| 432 | D | D | -1.0238 | |
| 433 | F | D | -0.5594 | |
| 434 | E | D | -1.9555 | |
| 435 | T | D | -1.4865 | |
| 436 | K | D | -1.4666 | |
| 437 | K | D | -2.1488 | |
| 438 | R | D | 0.0000 | |
| 439 | Y | D | -0.7843 | |
| 440 | L | D | -0.1443 | |
| 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 | -1.1835 | |
| 449 | E | D | -0.9218 | |
| 450 | I | D | 0.0000 | |
| 451 | A | D | 0.0000 | |
| 452 | T | D | -1.5281 | |
| 453 | Q | D | -1.9763 | |
| 454 | K | D | -2.1539 | |
| 455 | E | D | -1.9383 | |
| 456 | I | D | -1.2495 | |
| 457 | P | D | -1.6571 | |
| 458 | E | D | -2.3913 | |
| 459 | E | D | -1.9425 | |
| 460 | L | D | 0.0000 | |
| 461 | A | D | -1.1477 | |
| 462 | H | D | -0.9861 | |
| 463 | L | D | 0.0000 | |
| 464 | A | D | -0.7346 | |
| 465 | D | D | -1.2414 | |
| 466 | L | D | -1.1887 | |
| 467 | K | D | -1.9626 | |
| 468 | F | D | -0.6098 | |
| 469 | V | D | 0.0000 | |
| 470 | T | D | -1.4263 | |
| 471 | R | D | -2.1991 |
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 | -0.6509 | 2.9378 | View | CSV | PDB |
| 4.5 | -0.7286 | 2.8988 | View | CSV | PDB |
| 5.0 | -0.8267 | 2.8451 | View | CSV | PDB |
| 5.5 | -0.9269 | 2.7859 | View | CSV | PDB |
| 6.0 | -1.0086 | 2.7302 | View | CSV | PDB |
| 6.5 | -1.0553 | 2.6873 | View | CSV | PDB |
| 7.0 | -1.0636 | 2.6626 | View | CSV | PDB |
| 7.5 | -1.0441 | 2.6519 | View | CSV | PDB |
| 8.0 | -1.0089 | 2.648 | View | CSV | PDB |
| 8.5 | -0.964 | 2.6468 | View | CSV | PDB |
| 9.0 | -0.9102 | 2.6463 | 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