| Chain sequence(s) |
A: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR
C: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR B: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR D: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR input PDB |
| Selected Chain(s) | A,B,C,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:13)
[INFO] FoldX: Starting FoldX energy minimization (00:00:14)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:49:28)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/8dbdd53136f64d/tmp/folded.pdb (00:49:28)
[INFO] Main: Simulation completed successfully. (01:31:31)
|
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 | -1.5744 | |
| 2 | K | A | -2.3879 | |
| 3 | F | A | -1.7281 | |
| 4 | P | A | -1.8370 | |
| 5 | K | A | -2.4895 | |
| 6 | N | A | -2.2655 | |
| 7 | F | A | 0.0000 | |
| 8 | M | A | -0.6954 | |
| 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 | -0.1205 | |
| 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 | -0.6390 | |
| 23 | P | A | -0.8936 | |
| 24 | G | A | -0.9814 | |
| 25 | S | A | 0.0000 | |
| 26 | E | A | -1.7868 | |
| 27 | V | A | -1.4024 | |
| 28 | E | A | -1.7195 | |
| 29 | S | A | 0.0000 | |
| 30 | D | A | 0.0000 | |
| 31 | W | A | 0.0000 | |
| 32 | W | A | 0.0000 | |
| 33 | V | A | -0.3950 | |
| 34 | W | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | H | A | -1.5960 | |
| 37 | D | A | -1.2314 | |
| 38 | K | A | -1.7890 | |
| 39 | E | A | 0.0000 | |
| 40 | N | A | 0.0000 | |
| 41 | I | A | -0.5988 | |
| 42 | A | A | -0.2385 | |
| 43 | S | A | -0.1826 | |
| 44 | G | A | -0.2381 | |
| 45 | L | A | 0.0000 | |
| 46 | V | A | 0.0000 | |
| 47 | S | A | -0.7496 | |
| 48 | G | A | -1.0889 | |
| 49 | D | A | -1.6931 | |
| 50 | L | A | -1.4294 | |
| 51 | P | A | 0.0000 | |
| 52 | E | A | -2.3828 | |
| 53 | N | A | -1.8688 | |
| 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 | -0.7925 | |
| 60 | L | A | -0.7570 | |
| 61 | Y | A | 0.0000 | |
| 62 | K | A | -2.3595 | |
| 63 | Q | A | -1.6795 | |
| 64 | D | A | 0.0000 | |
| 65 | H | A | 0.0000 | |
| 66 | D | A | -2.2208 | |
| 67 | I | A | -1.4475 | |
| 68 | A | A | 0.0000 | |
| 69 | E | A | -2.6333 | |
| 70 | K | A | -2.5553 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | -1.6805 | |
| 73 | M | A | 0.0000 | |
| 74 | D | A | -0.9056 | |
| 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 | 0.0000 | |
| 82 | W | A | 0.0000 | |
| 83 | A | A | 0.0000 | |
| 84 | R | A | 0.0000 | |
| 85 | I | A | 0.0000 | |
| 86 | F | A | 0.0000 | |
| 87 | P | A | -1.0070 | |
| 88 | K | A | -1.7667 | |
| 89 | P | A | -0.7672 | |
| 90 | T | A | 0.0000 | |
| 91 | F | A | -0.8834 | |
| 92 | D | A | -2.1601 | |
| 93 | V | A | 0.0000 | |
| 94 | K | A | -2.4872 | |
| 95 | V | A | 0.0000 | |
| 96 | D | A | -2.9734 | |
| 97 | V | A | -2.1658 | |
| 98 | E | A | -3.3898 | |
| 99 | K | A | -4.0602 | |
| 100 | D | A | -4.3878 | |
| 101 | E | A | -4.2239 | |
| 102 | E | A | -3.7917 | |
| 103 | G | A | -2.9161 | |
| 104 | N | A | -2.3369 | |
| 105 | I | A | 0.0000 | |
| 106 | I | A | -0.4130 | |
| 107 | S | A | -1.2396 | |
| 108 | V | A | -1.8764 | |
| 109 | D | A | -2.7764 | |
| 110 | V | A | 0.0000 | |
| 111 | P | A | -1.7982 | |
| 112 | E | A | -2.3699 | |
| 113 | S | A | -2.0981 | |
| 114 | T | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | K | A | -3.5949 | |
| 117 | E | A | -3.8331 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -2.9283 | |
| 120 | K | A | -3.0464 | |
| 121 | I | A | -1.9666 | |
| 122 | A | A | 0.0000 | |
| 123 | N | A | -1.6227 | |
| 124 | M | A | -1.6307 | |
| 125 | E | A | -2.4479 | |
| 126 | A | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -3.0514 | |
| 129 | H | A | -2.2388 | |
| 130 | Y | A | 0.0000 | |
| 131 | R | A | -2.3859 | |
| 132 | K | A | -2.6440 | |
| 133 | I | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | S | A | -2.2168 | |
| 136 | D | A | -2.2255 | |
| 137 | W | A | 0.0000 | |
| 138 | K | A | -2.8149 | |
| 139 | E | A | -2.8651 | |
| 140 | R | A | -2.4562 | |
| 141 | G | A | -1.8081 | |
| 142 | K | A | -1.7209 | |
| 143 | T | A | -1.0998 | |
| 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 | -0.0829 | |
| 151 | W | A | 0.0726 | |
| 152 | P | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | L | A | 0.5308 | |
| 156 | W | A | 0.2169 | |
| 157 | I | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | D | A | -0.3112 | |
| 160 | P | A | 0.0000 | |
| 161 | I | A | 0.0772 | |
| 162 | A | A | -0.5593 | |
| 163 | V | A | 0.0000 | |
| 164 | R | A | 0.0000 | |
| 165 | K | A | -0.2170 | |
| 166 | L | A | -0.7534 | |
| 167 | G | A | 0.0000 | |
| 168 | P | A | -1.6749 | |
| 169 | D | A | -2.7192 | |
| 170 | R | A | -2.6630 | |
| 171 | A | A | -1.6809 | |
| 172 | P | A | -0.9632 | |
| 173 | A | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | W | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | D | A | -2.4724 | |
| 178 | E | A | -2.8622 | |
| 179 | K | A | -2.4117 | |
| 180 | T | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | V | A | -0.7845 | |
| 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 | 0.0914 | |
| 194 | H | A | -0.4540 | |
| 195 | L | A | 0.0000 | |
| 196 | D | A | -1.7916 | |
| 197 | D | A | -2.1894 | |
| 198 | L | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | D | A | -1.8474 | |
| 201 | M | A | -0.9918 | |
| 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 | -0.1447 | |
| 208 | P | A | 0.0000 | |
| 209 | N | A | -0.4553 | |
| 210 | V | A | -0.1376 | |
| 211 | V | A | 0.0000 | |
| 212 | Y | A | -0.5563 | |
| 213 | N | A | -0.8253 | |
| 214 | Q | A | -0.8070 | |
| 215 | G | A | 0.0000 | |
| 216 | Y | A | 0.0000 | |
| 217 | I | A | -0.3154 | |
| 218 | N | A | -1.1459 | |
| 219 | L | A | 0.0000 | |
| 220 | R | A | -1.6175 | |
| 221 | S | A | -0.9047 | |
| 222 | G | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | G | A | 0.0000 | |
| 227 | Y | A | 0.1891 | |
| 228 | L | A | 0.0000 | |
| 229 | S | A | 0.0000 | |
| 230 | F | A | -0.8959 | |
| 231 | E | A | -2.3271 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | -1.4199 | |
| 234 | E | A | -2.4697 | |
| 235 | K | A | -1.8026 | |
| 236 | A | A | 0.0000 | |
| 237 | K | A | -0.9057 | |
| 238 | F | A | 0.5423 | |
| 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 | -0.3953 | |
| 249 | D | A | -1.0757 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | K | A | -2.1127 | |
| 253 | E | A | -2.6896 | |
| 254 | Y | A | -1.4450 | |
| 255 | S | A | -1.9803 | |
| 256 | E | A | -2.6617 | |
| 257 | K | A | -1.8055 | |
| 258 | S | A | -1.0940 | |
| 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 | -0.0309 | |
| 265 | F | A | 0.0000 | |
| 266 | A | A | 0.0659 | |
| 267 | W | A | 0.0000 | |
| 268 | H | A | 0.0000 | |
| 269 | D | A | -0.4130 | |
| 270 | P | A | -1.4215 | |
| 271 | L | A | 0.1377 | |
| 272 | A | A | -1.3140 | |
| 273 | E | A | -3.4822 | |
| 274 | E | A | -3.8059 | |
| 275 | Y | A | 0.0000 | |
| 276 | K | A | -4.3488 | |
| 277 | D | A | -4.5304 | |
| 278 | E | A | -4.4401 | |
| 279 | V | A | 0.0000 | |
| 280 | E | A | -3.6386 | |
| 281 | E | A | -4.3597 | |
| 282 | I | A | -3.0009 | |
| 283 | R | A | 0.0000 | |
| 284 | K | A | -4.2305 | |
| 285 | K | A | -4.0266 | |
| 286 | D | A | -3.1847 | |
| 287 | Y | A | 0.0000 | |
| 288 | E | A | -2.6837 | |
| 289 | F | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | T | A | -1.0366 | |
| 292 | I | A | -0.1971 | |
| 293 | L | A | 0.0000 | |
| 294 | H | A | -1.0376 | |
| 295 | S | A | -0.8702 | |
| 296 | K | A | -1.3731 | |
| 297 | G | A | -1.2812 | |
| 298 | K | A | -1.0770 | |
| 299 | L | A | 0.0000 | |
| 300 | D | A | -0.7465 | |
| 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 | 0.3715 | |
| 308 | S | A | 0.0000 | |
| 309 | R | A | 0.0000 | |
| 310 | L | A | 0.7724 | |
| 311 | V | A | 0.0000 | |
| 312 | Y | A | 0.0000 | |
| 313 | G | A | 0.0000 | |
| 314 | A | A | -1.3609 | |
| 315 | K | A | -2.8238 | |
| 316 | D | A | -2.9920 | |
| 317 | G | A | -1.8472 | |
| 318 | H | A | -1.2770 | |
| 319 | L | A | -0.3009 | |
| 320 | V | A | 1.6401 | |
| 321 | P | A | 1.1558 | |
| 322 | L | A | 0.9992 | |
| 323 | P | A | -0.2473 | |
| 324 | G | A | -0.4884 | |
| 325 | Y | A | 0.0562 | |
| 326 | G | A | 0.0000 | |
| 327 | F | A | 1.0846 | |
| 328 | M | A | 0.2656 | |
| 329 | S | A | -0.7427 | |
| 330 | E | A | -2.2566 | |
| 331 | R | A | -2.6934 | |
| 332 | G | A | -1.6521 | |
| 333 | G | A | -0.8258 | |
| 334 | F | A | 0.2086 | |
| 335 | A | A | 0.0000 | |
| 336 | K | A | -1.4948 | |
| 337 | S | A | -0.7634 | |
| 338 | G | A | -0.5950 | |
| 339 | R | A | -0.3059 | |
| 340 | P | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | D | A | -1.6568 | |
| 344 | F | A | -0.9074 | |
| 345 | G | A | 0.0000 | |
| 346 | W | A | 0.1319 | |
| 347 | E | A | 0.0000 | |
| 348 | M | A | 0.0000 | |
| 349 | Y | A | 0.0722 | |
| 350 | P | A | 0.0000 | |
| 351 | E | A | -0.8412 | |
| 352 | G | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -1.2706 | |
| 355 | N | A | -0.9913 | |
| 356 | L | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | K | A | -2.4206 | |
| 359 | Y | A | -1.3107 | |
| 360 | L | A | 0.0000 | |
| 361 | N | A | -2.4328 | |
| 362 | N | A | -2.1657 | |
| 363 | A | A | -1.4486 | |
| 364 | Y | A | 0.0000 | |
| 365 | E | A | -2.6036 | |
| 366 | L | A | -1.3235 | |
| 367 | P | A | -1.1547 | |
| 368 | M | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | E | A | -0.1463 | |
| 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 | -0.3096 | |
| 379 | A | A | 0.0000 | |
| 380 | D | A | 0.0000 | |
| 381 | R | A | -0.4046 | |
| 382 | Y | A | -0.1561 | |
| 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 | -0.7913 | |
| 393 | A | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | Y | A | -1.1068 | |
| 396 | N | A | -1.7354 | |
| 397 | A | A | 0.0000 | |
| 398 | M | A | -2.1001 | |
| 399 | K | A | -2.8247 | |
| 400 | E | A | -3.2451 | |
| 401 | G | A | -2.5024 | |
| 402 | A | A | 0.0000 | |
| 403 | D | A | -2.7898 | |
| 404 | V | A | 0.0000 | |
| 405 | R | A | -1.4993 | |
| 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 | -0.5710 | |
| 418 | W | A | -0.0950 | |
| 419 | A | A | 0.0000 | |
| 420 | Q | A | -1.0311 | |
| 421 | G | A | 0.0000 | |
| 422 | F | A | -0.9820 | |
| 423 | R | A | -1.9685 | |
| 424 | M | A | 0.0000 | |
| 425 | R | A | -0.4329 | |
| 426 | F | A | 0.1097 | |
| 427 | G | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | Y | A | -0.2952 | |
| 431 | V | A | 0.0000 | |
| 432 | D | A | -1.5233 | |
| 433 | F | A | 0.0000 | |
| 434 | E | A | -2.3820 | |
| 435 | T | A | -1.7477 | |
| 436 | K | A | -1.6893 | |
| 437 | K | A | -2.3397 | |
| 438 | R | A | -1.2310 | |
| 439 | Y | A | -0.9453 | |
| 440 | L | A | -0.3051 | |
| 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 | -1.1669 | |
| 449 | E | A | -1.1437 | |
| 450 | I | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | T | A | -1.7531 | |
| 453 | Q | A | -2.0879 | |
| 454 | K | A | -2.0324 | |
| 455 | E | A | -2.4290 | |
| 456 | I | A | 0.0000 | |
| 457 | P | A | -2.1205 | |
| 458 | E | A | -2.5924 | |
| 459 | E | A | -2.4222 | |
| 460 | L | A | 0.0000 | |
| 461 | A | A | -1.2223 | |
| 462 | H | A | -0.8789 | |
| 463 | L | A | 0.0000 | |
| 464 | A | A | -0.5406 | |
| 465 | D | A | -0.8733 | |
| 466 | L | A | -0.7720 | |
| 467 | K | A | -1.5993 | |
| 468 | F | A | -0.5161 | |
| 469 | V | A | 0.0000 | |
| 470 | T | A | -0.4458 | |
| 1 | A | B | -1.7752 | |
| 2 | K | B | -2.7403 | |
| 3 | F | B | 0.0000 | |
| 4 | P | B | -1.9827 | |
| 5 | K | B | -2.7620 | |
| 6 | N | B | -2.3168 | |
| 7 | F | B | 0.0000 | |
| 8 | M | B | 0.0000 | |
| 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 | -0.0490 | |
| 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 | -1.3118 | |
| 22 | L | B | -0.6186 | |
| 23 | P | B | -0.9071 | |
| 24 | G | B | -1.0412 | |
| 25 | S | B | 0.0000 | |
| 26 | E | B | -2.3910 | |
| 27 | V | B | -1.5280 | |
| 28 | E | B | -1.8331 | |
| 29 | S | B | 0.0000 | |
| 30 | D | B | 0.0000 | |
| 31 | W | B | 0.0000 | |
| 32 | W | B | 0.0000 | |
| 33 | V | B | -0.2555 | |
| 34 | W | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | H | B | -1.6768 | |
| 37 | D | B | -1.4281 | |
| 38 | K | B | -1.9742 | |
| 39 | E | B | -0.8789 | |
| 40 | N | B | 0.0000 | |
| 41 | I | B | -0.6701 | |
| 42 | A | B | -0.3422 | |
| 43 | S | B | 0.0000 | |
| 44 | G | B | -0.7539 | |
| 45 | L | B | 0.0000 | |
| 46 | V | B | 0.0000 | |
| 47 | S | B | -0.9986 | |
| 48 | G | B | -1.5882 | |
| 49 | D | B | -2.2948 | |
| 50 | L | B | -1.5813 | |
| 51 | P | B | 0.0000 | |
| 52 | E | B | -2.5829 | |
| 53 | N | B | -2.2682 | |
| 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 | -1.2737 | |
| 60 | L | B | -1.1372 | |
| 61 | Y | B | -1.3649 | |
| 62 | K | B | -2.3319 | |
| 63 | Q | B | -2.0695 | |
| 64 | D | B | 0.0000 | |
| 65 | H | B | 0.0000 | |
| 66 | D | B | -1.8762 | |
| 67 | I | B | -1.2280 | |
| 68 | A | B | 0.0000 | |
| 69 | E | B | -1.8553 | |
| 70 | K | B | -2.1077 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -1.2751 | |
| 73 | M | B | 0.0000 | |
| 74 | D | B | -0.7651 | |
| 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 | -0.5542 | |
| 84 | R | B | 0.0000 | |
| 85 | I | B | 0.0000 | |
| 86 | F | B | 0.0000 | |
| 87 | P | B | -1.1189 | |
| 88 | K | B | -1.3999 | |
| 89 | P | B | -0.7243 | |
| 90 | T | B | 0.0000 | |
| 91 | F | B | -0.4837 | |
| 92 | D | B | -1.8990 | |
| 93 | V | B | 0.0000 | |
| 94 | K | B | -2.4654 | |
| 95 | V | B | -2.3872 | |
| 96 | D | B | -3.1652 | |
| 97 | V | B | 0.0000 | |
| 98 | E | B | -2.8633 | |
| 99 | K | B | -2.7620 | |
| 100 | D | B | -3.2684 | |
| 101 | E | B | -4.0349 | |
| 102 | E | B | -3.8778 | |
| 103 | G | B | -3.1633 | |
| 104 | N | B | -2.3123 | |
| 105 | I | B | -0.7041 | |
| 106 | I | B | 0.7612 | |
| 107 | S | B | -0.6694 | |
| 108 | V | B | -1.4205 | |
| 109 | D | B | -2.9143 | |
| 110 | V | B | 0.0000 | |
| 111 | P | B | -2.0955 | |
| 112 | E | B | -2.3466 | |
| 113 | S | B | -2.1767 | |
| 114 | T | B | 0.0000 | |
| 115 | I | B | 0.0000 | |
| 116 | K | B | -3.5953 | |
| 117 | E | B | -3.6353 | |
| 118 | L | B | 0.0000 | |
| 119 | E | B | -3.1608 | |
| 120 | K | B | -3.1603 | |
| 121 | I | B | -1.9797 | |
| 122 | A | B | -2.0662 | |
| 123 | N | B | -1.9223 | |
| 124 | M | B | -1.8780 | |
| 125 | E | B | -2.5552 | |
| 126 | A | B | -1.8504 | |
| 127 | L | B | 0.0000 | |
| 128 | E | B | -2.9481 | |
| 129 | H | B | -2.3314 | |
| 130 | Y | B | 0.0000 | |
| 131 | R | B | -2.3055 | |
| 132 | K | B | -2.7256 | |
| 133 | I | B | 0.0000 | |
| 134 | Y | B | 0.0000 | |
| 135 | S | B | -2.0961 | |
| 136 | D | B | -2.1445 | |
| 137 | W | B | 0.0000 | |
| 138 | K | B | -2.1007 | |
| 139 | E | B | -2.5738 | |
| 140 | R | B | -2.1891 | |
| 141 | G | B | -1.7028 | |
| 142 | K | B | -1.4367 | |
| 143 | T | B | -0.6629 | |
| 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 | -0.0908 | |
| 151 | W | B | 0.0950 | |
| 152 | P | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | L | B | 0.1734 | |
| 156 | W | B | 0.0502 | |
| 157 | I | B | 0.0000 | |
| 158 | H | B | 0.0000 | |
| 159 | D | B | -0.4945 | |
| 160 | P | B | 0.0000 | |
| 161 | I | B | 0.0572 | |
| 162 | A | B | -0.2055 | |
| 163 | V | B | 0.0000 | |
| 164 | R | B | 0.0000 | |
| 165 | K | B | -0.0561 | |
| 166 | L | B | -0.3294 | |
| 167 | G | B | 0.0000 | |
| 168 | P | B | -1.2674 | |
| 169 | D | B | -2.1048 | |
| 170 | R | B | -1.4750 | |
| 171 | A | B | -0.9663 | |
| 172 | P | B | -0.7677 | |
| 173 | A | B | 0.0000 | |
| 174 | G | B | 0.0000 | |
| 175 | W | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | D | B | -2.0095 | |
| 178 | E | B | -3.0733 | |
| 179 | K | B | -1.6566 | |
| 180 | T | B | 0.0000 | |
| 181 | V | B | 0.0000 | |
| 182 | V | B | 0.0000 | |
| 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 | 0.3878 | |
| 194 | H | B | -0.3427 | |
| 195 | L | B | 0.0000 | |
| 196 | D | B | -1.6426 | |
| 197 | D | B | -2.2742 | |
| 198 | L | B | 0.0000 | |
| 199 | V | B | 0.0000 | |
| 200 | D | B | -1.4003 | |
| 201 | M | B | -0.7342 | |
| 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 | -0.2201 | |
| 208 | P | B | 0.0000 | |
| 209 | N | B | -0.7029 | |
| 210 | V | B | -0.3131 | |
| 211 | V | B | 0.0000 | |
| 212 | Y | B | -0.7089 | |
| 213 | N | B | -0.7025 | |
| 214 | Q | B | -0.7025 | |
| 215 | G | B | 0.0000 | |
| 216 | Y | B | 0.0000 | |
| 217 | I | B | -0.1692 | |
| 218 | N | B | -0.3206 | |
| 219 | L | B | 0.0000 | |
| 220 | R | B | -1.0902 | |
| 221 | S | B | -0.6893 | |
| 222 | G | B | -0.4511 | |
| 223 | F | B | 0.0000 | |
| 224 | P | B | 0.0000 | |
| 225 | P | B | 0.0000 | |
| 226 | G | B | 0.0000 | |
| 227 | Y | B | 0.1173 | |
| 228 | L | B | 0.0000 | |
| 229 | S | B | 0.0000 | |
| 230 | F | B | -1.0540 | |
| 231 | E | B | -2.4449 | |
| 232 | A | B | 0.0000 | |
| 233 | A | B | 0.0000 | |
| 234 | E | B | -2.6160 | |
| 235 | K | B | -2.3539 | |
| 236 | A | B | 0.0000 | |
| 237 | K | B | -0.8946 | |
| 238 | F | B | 0.1508 | |
| 239 | N | B | 0.0000 | |
| 240 | L | B | 0.0000 | |
| 241 | I | B | 0.6585 | |
| 242 | Q | B | 0.3703 | |
| 243 | A | B | 0.0000 | |
| 244 | H | B | 0.0000 | |
| 245 | I | B | -0.0560 | |
| 246 | G | B | 0.0000 | |
| 247 | A | B | 0.0000 | |
| 248 | Y | B | 0.0000 | |
| 249 | D | B | -2.0784 | |
| 250 | A | B | 0.0000 | |
| 251 | I | B | 0.0000 | |
| 252 | K | B | -2.6548 | |
| 253 | E | B | -2.2444 | |
| 254 | Y | B | -1.1688 | |
| 255 | S | B | 0.0000 | |
| 256 | E | B | -2.8802 | |
| 257 | K | B | -2.2041 | |
| 258 | S | B | -1.2682 | |
| 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 | -0.2358 | |
| 265 | F | B | 0.0000 | |
| 266 | A | B | -0.0198 | |
| 267 | W | B | 0.0000 | |
| 268 | H | B | 0.0000 | |
| 269 | D | B | -0.3482 | |
| 270 | P | B | -1.2306 | |
| 271 | L | B | 0.5310 | |
| 272 | A | B | -1.0994 | |
| 273 | E | B | -3.1738 | |
| 274 | E | B | -3.4450 | |
| 275 | Y | B | -2.9254 | |
| 276 | K | B | -4.3750 | |
| 277 | D | B | -4.8496 | |
| 278 | E | B | -4.3101 | |
| 279 | V | B | 0.0000 | |
| 280 | E | B | -4.4011 | |
| 281 | E | B | -4.2702 | |
| 282 | I | B | -2.8876 | |
| 283 | R | B | 0.0000 | |
| 284 | K | B | -4.0113 | |
| 285 | K | B | -4.1139 | |
| 286 | D | B | -3.4679 | |
| 287 | Y | B | 0.0000 | |
| 288 | E | B | -2.8342 | |
| 289 | F | B | 0.0000 | |
| 290 | V | B | 0.0000 | |
| 291 | T | B | -1.5430 | |
| 292 | I | B | -0.8038 | |
| 293 | L | B | 0.0000 | |
| 294 | H | B | -1.6750 | |
| 295 | S | B | -1.3549 | |
| 296 | K | B | -2.0800 | |
| 297 | G | B | -1.6501 | |
| 298 | K | B | -1.3205 | |
| 299 | L | B | 0.0000 | |
| 300 | D | B | -1.0188 | |
| 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 | 0.3149 | |
| 308 | S | B | 0.0000 | |
| 309 | R | B | 0.0000 | |
| 310 | L | B | 0.7648 | |
| 311 | V | B | 0.0000 | |
| 312 | Y | B | 0.0000 | |
| 313 | G | B | 0.0000 | |
| 314 | A | B | -1.3161 | |
| 315 | K | B | -2.6308 | |
| 316 | D | B | -2.9484 | |
| 317 | G | B | -2.0045 | |
| 318 | H | B | -1.9132 | |
| 319 | L | B | -0.7398 | |
| 320 | V | B | 0.1506 | |
| 321 | P | B | 0.7193 | |
| 322 | L | B | 0.4891 | |
| 323 | P | B | -0.1837 | |
| 324 | G | B | 0.0000 | |
| 325 | Y | B | -0.0530 | |
| 326 | G | B | 0.0000 | |
| 327 | F | B | 0.9750 | |
| 328 | M | B | 0.2869 | |
| 329 | S | B | 0.0000 | |
| 330 | E | B | -2.6142 | |
| 331 | R | B | -2.9972 | |
| 332 | G | B | -2.0049 | |
| 333 | G | B | -1.2003 | |
| 334 | F | B | -0.4984 | |
| 335 | A | B | 0.0000 | |
| 336 | K | B | -1.7355 | |
| 337 | S | B | -0.8667 | |
| 338 | G | B | -0.8451 | |
| 339 | R | B | -0.4651 | |
| 340 | P | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | S | B | 0.0000 | |
| 343 | D | B | -2.3754 | |
| 344 | F | B | -1.0683 | |
| 345 | G | B | 0.0000 | |
| 346 | W | B | 0.0503 | |
| 347 | E | B | 0.0000 | |
| 348 | M | B | 0.0000 | |
| 349 | Y | B | -0.1474 | |
| 350 | P | B | -0.6781 | |
| 351 | E | B | -1.2643 | |
| 352 | G | B | 0.0000 | |
| 353 | L | B | 0.0000 | |
| 354 | E | B | -1.9175 | |
| 355 | N | B | -1.3420 | |
| 356 | L | B | 0.0000 | |
| 357 | L | B | 0.0000 | |
| 358 | K | B | -2.2442 | |
| 359 | Y | B | -1.1648 | |
| 360 | L | B | 0.0000 | |
| 361 | N | B | -1.9242 | |
| 362 | N | B | -2.0213 | |
| 363 | A | B | -1.4077 | |
| 364 | Y | B | 0.0000 | |
| 365 | E | B | -2.3765 | |
| 366 | L | B | -1.0908 | |
| 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 | -0.1663 | |
| 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 | -0.5079 | |
| 379 | A | B | -0.3380 | |
| 380 | D | B | 0.0000 | |
| 381 | R | B | -0.6340 | |
| 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 | -0.9681 | |
| 393 | A | B | 0.0000 | |
| 394 | V | B | 0.0000 | |
| 395 | Y | B | -1.3753 | |
| 396 | N | B | -1.9102 | |
| 397 | A | B | 0.0000 | |
| 398 | M | B | -2.1011 | |
| 399 | K | B | -2.9112 | |
| 400 | E | B | -3.0925 | |
| 401 | G | B | -2.2063 | |
| 402 | A | B | 0.0000 | |
| 403 | D | B | -1.7198 | |
| 404 | V | B | 0.0000 | |
| 405 | R | B | -1.2690 | |
| 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 | 0.0000 | |
| 418 | W | B | 0.0368 | |
| 419 | A | B | -0.5991 | |
| 420 | Q | B | -1.1928 | |
| 421 | G | B | -1.1581 | |
| 422 | F | B | -1.0042 | |
| 423 | R | B | -1.8570 | |
| 424 | M | B | -1.1772 | |
| 425 | R | B | -0.7609 | |
| 426 | F | B | 0.0000 | |
| 427 | G | B | 0.0000 | |
| 428 | L | B | 0.0000 | |
| 429 | V | B | 0.0000 | |
| 430 | Y | B | -0.2995 | |
| 431 | V | B | 0.0000 | |
| 432 | D | B | -1.4222 | |
| 433 | F | B | -1.5157 | |
| 434 | E | B | -2.3678 | |
| 435 | T | B | -1.6779 | |
| 436 | K | B | -1.6811 | |
| 437 | K | B | -2.3389 | |
| 438 | R | B | -1.3182 | |
| 439 | Y | B | -1.0011 | |
| 440 | L | B | -0.2327 | |
| 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 | -1.1015 | |
| 449 | E | B | -0.8200 | |
| 450 | I | B | 0.0000 | |
| 451 | A | B | 0.0000 | |
| 452 | T | B | -1.1885 | |
| 453 | Q | B | -1.6321 | |
| 454 | K | B | -1.9180 | |
| 455 | E | B | -2.2343 | |
| 456 | I | B | 0.0000 | |
| 457 | P | B | -1.8256 | |
| 458 | E | B | -2.5538 | |
| 459 | E | B | -1.9341 | |
| 460 | L | B | 0.0000 | |
| 461 | A | B | 0.0000 | |
| 462 | H | B | -1.2292 | |
| 463 | L | B | -0.5842 | |
| 464 | A | B | -0.7669 | |
| 465 | D | B | -1.2876 | |
| 466 | L | B | -0.8810 | |
| 467 | K | B | -1.4990 | |
| 468 | F | B | -0.1907 | |
| 469 | V | B | 0.0000 | |
| 470 | T | B | -0.4071 | |
| 1 | A | C | -1.3758 | |
| 2 | K | C | -2.3859 | |
| 3 | F | C | 0.0000 | |
| 4 | P | C | -2.0518 | |
| 5 | K | C | -2.9706 | |
| 6 | N | C | -2.4456 | |
| 7 | F | C | 0.0000 | |
| 8 | M | C | -1.1511 | |
| 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 | -0.0193 | |
| 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 | 0.0000 | |
| 22 | L | C | -0.6115 | |
| 23 | P | C | -0.8849 | |
| 24 | G | C | -1.0296 | |
| 25 | S | C | 0.0000 | |
| 26 | E | C | -2.4598 | |
| 27 | V | C | -1.4515 | |
| 28 | E | C | -1.7014 | |
| 29 | S | C | 0.0000 | |
| 30 | D | C | 0.0000 | |
| 31 | W | C | 0.0000 | |
| 32 | W | C | -0.2284 | |
| 33 | V | C | -0.1471 | |
| 34 | W | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | H | C | -1.2579 | |
| 37 | D | C | -1.2386 | |
| 38 | K | C | -1.9106 | |
| 39 | E | C | -1.0196 | |
| 40 | N | C | 0.0000 | |
| 41 | I | C | -0.6028 | |
| 42 | A | C | -0.4075 | |
| 43 | S | C | -0.5707 | |
| 44 | G | C | -0.4778 | |
| 45 | L | C | 0.0000 | |
| 46 | V | C | 0.0000 | |
| 47 | S | C | -0.7199 | |
| 48 | G | C | -1.0331 | |
| 49 | D | C | -1.3754 | |
| 50 | L | C | -1.1881 | |
| 51 | P | C | 0.0000 | |
| 52 | E | C | -2.5469 | |
| 53 | N | C | -1.9880 | |
| 54 | G | C | 0.0000 | |
| 55 | P | C | 0.0000 | |
| 56 | A | C | 0.0000 | |
| 57 | Y | C | 0.0000 | |
| 58 | W | C | -0.4155 | |
| 59 | H | C | -0.6233 | |
| 60 | L | C | -0.7666 | |
| 61 | Y | C | 0.0000 | |
| 62 | K | C | -2.5262 | |
| 63 | Q | C | -2.1297 | |
| 64 | D | C | 0.0000 | |
| 65 | H | C | 0.0000 | |
| 66 | D | C | -2.3257 | |
| 67 | I | C | 0.0000 | |
| 68 | A | C | 0.0000 | |
| 69 | E | C | -2.6183 | |
| 70 | K | C | -2.5119 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -1.6659 | |
| 73 | M | C | 0.0000 | |
| 74 | D | C | -1.4679 | |
| 75 | C | C | 0.0000 | |
| 76 | I | C | 0.0000 | |
| 77 | R | C | 0.0000 | |
| 78 | G | C | 0.0000 | |
| 79 | G | C | 0.0000 | |
| 80 | I | C | 0.0000 | |
| 81 | E | C | 0.0000 | |
| 82 | W | C | 0.0000 | |
| 83 | A | C | 0.0000 | |
| 84 | R | C | 0.0000 | |
| 85 | I | C | 0.0000 | |
| 86 | F | C | 0.0000 | |
| 87 | P | C | -1.1341 | |
| 88 | K | C | -1.7171 | |
| 89 | P | C | -0.7370 | |
| 90 | T | C | 0.0000 | |
| 91 | F | C | -0.3260 | |
| 92 | D | C | -1.5938 | |
| 93 | V | C | 0.0000 | |
| 94 | K | C | -2.4925 | |
| 95 | V | C | -1.6892 | |
| 96 | D | C | -2.6526 | |
| 97 | V | C | -1.7298 | |
| 98 | E | C | -3.0359 | |
| 99 | K | C | -3.6827 | |
| 100 | D | C | -4.1272 | |
| 101 | E | C | -3.9790 | |
| 102 | E | C | -3.6581 | |
| 103 | G | C | -2.7166 | |
| 104 | N | C | -2.3500 | |
| 105 | I | C | 0.0000 | |
| 106 | I | C | -0.0753 | |
| 107 | S | C | -1.2374 | |
| 108 | V | C | 0.0000 | |
| 109 | D | C | -3.1635 | |
| 110 | V | C | 0.0000 | |
| 111 | P | C | -2.4004 | |
| 112 | E | C | -2.5868 | |
| 113 | S | C | -2.1698 | |
| 114 | T | C | 0.0000 | |
| 115 | I | C | 0.0000 | |
| 116 | K | C | -3.0476 | |
| 117 | E | C | -3.1298 | |
| 118 | L | C | 0.0000 | |
| 119 | E | C | -2.2849 | |
| 120 | K | C | -2.7246 | |
| 121 | I | C | -1.6864 | |
| 122 | A | C | -1.4505 | |
| 123 | N | C | -1.6262 | |
| 124 | M | C | -1.6881 | |
| 125 | E | C | -2.4272 | |
| 126 | A | C | 0.0000 | |
| 127 | L | C | 0.0000 | |
| 128 | E | C | -2.9907 | |
| 129 | H | C | -2.1594 | |
| 130 | Y | C | 0.0000 | |
| 131 | R | C | -2.1547 | |
| 132 | K | C | -2.4583 | |
| 133 | I | C | 0.0000 | |
| 134 | Y | C | 0.0000 | |
| 135 | S | C | -1.8222 | |
| 136 | D | C | -2.0159 | |
| 137 | W | C | 0.0000 | |
| 138 | K | C | -2.0361 | |
| 139 | E | C | -2.4327 | |
| 140 | R | C | -2.0367 | |
| 141 | G | C | -1.5824 | |
| 142 | K | C | 0.0000 | |
| 143 | T | C | -0.6527 | |
| 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 | 0.0000 | |
| 151 | W | C | 0.1581 | |
| 152 | P | C | 0.0000 | |
| 153 | L | C | 0.0000 | |
| 154 | P | C | 0.0000 | |
| 155 | L | C | 0.1298 | |
| 156 | W | C | -0.0015 | |
| 157 | I | C | 0.0000 | |
| 158 | H | C | 0.0000 | |
| 159 | D | C | -0.4272 | |
| 160 | P | C | 0.0000 | |
| 161 | I | C | 0.0636 | |
| 162 | A | C | -0.2236 | |
| 163 | V | C | 0.0000 | |
| 164 | R | C | 0.0000 | |
| 165 | K | C | -0.3899 | |
| 166 | L | C | -0.8908 | |
| 167 | G | C | 0.0000 | |
| 168 | P | C | -1.4237 | |
| 169 | D | C | -2.1821 | |
| 170 | R | C | -1.3290 | |
| 171 | A | C | -1.0427 | |
| 172 | P | C | -0.8486 | |
| 173 | A | C | 0.0000 | |
| 174 | G | C | 0.0000 | |
| 175 | W | C | 0.0000 | |
| 176 | L | C | 0.0000 | |
| 177 | D | C | -2.6216 | |
| 178 | E | C | -3.0461 | |
| 179 | K | C | -2.3642 | |
| 180 | T | C | 0.0000 | |
| 181 | V | C | 0.0000 | |
| 182 | V | C | -0.2971 | |
| 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 | -0.2544 | |
| 194 | H | C | -0.5115 | |
| 195 | L | C | 0.0000 | |
| 196 | D | C | -1.5418 | |
| 197 | D | C | -2.1708 | |
| 198 | L | C | 0.0000 | |
| 199 | V | C | 0.0000 | |
| 200 | D | C | -1.2929 | |
| 201 | M | C | -0.6827 | |
| 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 | 0.0000 | |
| 208 | P | C | 0.0000 | |
| 209 | N | C | -0.2748 | |
| 210 | V | C | 0.0144 | |
| 211 | V | C | 0.0000 | |
| 212 | Y | C | -0.6835 | |
| 213 | N | C | -0.8216 | |
| 214 | Q | C | -0.8170 | |
| 215 | G | C | 0.0000 | |
| 216 | Y | C | 0.0000 | |
| 217 | I | C | -0.4375 | |
| 218 | N | C | -1.2082 | |
| 219 | L | C | 0.0000 | |
| 220 | R | C | -1.6767 | |
| 221 | S | C | -1.0063 | |
| 222 | G | C | 0.0000 | |
| 223 | F | C | 0.0000 | |
| 224 | P | C | 0.0000 | |
| 225 | P | C | 0.0000 | |
| 226 | G | C | -0.4257 | |
| 227 | Y | C | 0.0000 | |
| 228 | L | C | 0.0000 | |
| 229 | S | C | -1.2186 | |
| 230 | F | C | -1.4989 | |
| 231 | E | C | -2.6840 | |
| 232 | A | C | 0.0000 | |
| 233 | A | C | 0.0000 | |
| 234 | E | C | -2.8063 | |
| 235 | K | C | -2.4733 | |
| 236 | A | C | 0.0000 | |
| 237 | K | C | -1.0771 | |
| 238 | F | C | 0.5539 | |
| 239 | N | C | 0.0000 | |
| 240 | L | C | 0.0000 | |
| 241 | I | C | 0.6789 | |
| 242 | Q | C | 0.0000 | |
| 243 | A | C | 0.0000 | |
| 244 | H | C | 0.0000 | |
| 245 | I | C | 0.0000 | |
| 246 | G | C | 0.0000 | |
| 247 | A | C | 0.0000 | |
| 248 | Y | C | -0.5468 | |
| 249 | D | C | -1.0080 | |
| 250 | A | C | 0.0000 | |
| 251 | I | C | 0.0000 | |
| 252 | K | C | -1.9030 | |
| 253 | E | C | -2.2935 | |
| 254 | Y | C | -1.3087 | |
| 255 | S | C | -1.8421 | |
| 256 | E | C | -2.4786 | |
| 257 | K | C | -1.6268 | |
| 258 | S | C | -1.0049 | |
| 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 | 0.0073 | |
| 265 | F | C | 0.0000 | |
| 266 | A | C | 0.1050 | |
| 267 | W | C | 0.0000 | |
| 268 | H | C | 0.0000 | |
| 269 | D | C | -0.4080 | |
| 270 | P | C | -1.2111 | |
| 271 | L | C | 0.2498 | |
| 272 | A | C | -1.1086 | |
| 273 | E | C | -3.3180 | |
| 274 | E | C | -3.3523 | |
| 275 | Y | C | -2.9146 | |
| 276 | K | C | -4.0267 | |
| 277 | D | C | -4.5241 | |
| 278 | E | C | -4.1621 | |
| 279 | V | C | 0.0000 | |
| 280 | E | C | -4.0214 | |
| 281 | E | C | -4.0843 | |
| 282 | I | C | -2.7369 | |
| 283 | R | C | 0.0000 | |
| 284 | K | C | -3.6020 | |
| 285 | K | C | -3.6619 | |
| 286 | D | C | -2.5047 | |
| 287 | Y | C | 0.0000 | |
| 288 | E | C | -2.3831 | |
| 289 | F | C | -0.7760 | |
| 290 | V | C | 0.0000 | |
| 291 | T | C | -1.0732 | |
| 292 | I | C | -0.4134 | |
| 293 | L | C | 0.0000 | |
| 294 | H | C | -1.3333 | |
| 295 | S | C | -1.0439 | |
| 296 | K | C | -1.7579 | |
| 297 | G | C | -1.4610 | |
| 298 | K | C | -1.1236 | |
| 299 | L | C | 0.0000 | |
| 300 | D | C | -0.7372 | |
| 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 | 0.3496 | |
| 308 | S | C | 0.0000 | |
| 309 | R | C | 0.0000 | |
| 310 | L | C | 0.4778 | |
| 311 | V | C | 0.0000 | |
| 312 | Y | C | 0.0000 | |
| 313 | G | C | 0.0000 | |
| 314 | A | C | -1.2275 | |
| 315 | K | C | -2.6285 | |
| 316 | D | C | -2.9303 | |
| 317 | G | C | -2.2138 | |
| 318 | H | C | -1.5152 | |
| 319 | L | C | -0.7229 | |
| 320 | V | C | 0.2492 | |
| 321 | P | C | 0.3860 | |
| 322 | L | C | 0.0000 | |
| 323 | P | C | -0.5388 | |
| 324 | G | C | -0.9283 | |
| 325 | Y | C | 0.0000 | |
| 326 | G | C | 0.0000 | |
| 327 | F | C | 0.6059 | |
| 328 | M | C | 0.0187 | |
| 329 | S | C | 0.0000 | |
| 330 | E | C | -2.5900 | |
| 331 | R | C | -2.7939 | |
| 332 | G | C | -1.8507 | |
| 333 | G | C | -1.0189 | |
| 334 | F | C | 0.0373 | |
| 335 | A | C | 0.0000 | |
| 336 | K | C | -1.8146 | |
| 337 | S | C | -0.9210 | |
| 338 | G | C | -0.5332 | |
| 339 | R | C | -0.2927 | |
| 340 | P | C | 0.0000 | |
| 341 | A | C | 0.0000 | |
| 342 | S | C | 0.0000 | |
| 343 | D | C | -2.1233 | |
| 344 | F | C | -1.0059 | |
| 345 | G | C | 0.0000 | |
| 346 | W | C | 0.1094 | |
| 347 | E | C | 0.0000 | |
| 348 | M | C | 0.0000 | |
| 349 | Y | C | -0.0619 | |
| 350 | P | C | -0.5397 | |
| 351 | E | C | -0.9647 | |
| 352 | G | C | 0.0000 | |
| 353 | L | C | 0.0000 | |
| 354 | E | C | -1.6148 | |
| 355 | N | C | -1.1631 | |
| 356 | L | C | 0.0000 | |
| 357 | L | C | 0.0000 | |
| 358 | K | C | -2.4300 | |
| 359 | Y | C | -1.3367 | |
| 360 | L | C | 0.0000 | |
| 361 | N | C | -1.9881 | |
| 362 | N | C | -2.0083 | |
| 363 | A | C | -1.3699 | |
| 364 | Y | C | 0.0000 | |
| 365 | E | C | -2.3410 | |
| 366 | L | C | -1.1231 | |
| 367 | P | C | -0.9938 | |
| 368 | M | C | 0.0000 | |
| 369 | I | C | 0.0000 | |
| 370 | I | C | 0.0000 | |
| 371 | T | C | 0.0000 | |
| 372 | E | C | 0.0000 | |
| 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 | -0.5680 | |
| 379 | A | C | 0.0000 | |
| 380 | D | C | 0.0000 | |
| 381 | R | C | -0.4564 | |
| 382 | Y | C | 0.0000 | |
| 383 | R | C | 0.0000 | |
| 384 | P | C | 0.0000 | |
| 385 | H | C | 0.0000 | |
| 386 | Y | C | 0.0000 | |
| 387 | L | C | 0.0000 | |
| 388 | V | C | 0.0000 | |
| 389 | S | C | 0.0000 | |
| 390 | H | C | 0.0000 | |
| 391 | L | C | 0.0000 | |
| 392 | K | C | -1.2485 | |
| 393 | A | C | 0.0000 | |
| 394 | V | C | 0.0000 | |
| 395 | Y | C | -1.5661 | |
| 396 | N | C | -2.1723 | |
| 397 | A | C | 0.0000 | |
| 398 | M | C | -2.2391 | |
| 399 | K | C | -2.9068 | |
| 400 | E | C | -3.3008 | |
| 401 | G | C | -2.4073 | |
| 402 | A | C | 0.0000 | |
| 403 | D | C | -1.9864 | |
| 404 | V | C | 0.0000 | |
| 405 | R | C | -1.8713 | |
| 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 | -0.7897 | |
| 418 | W | C | 0.0000 | |
| 419 | A | C | -0.6775 | |
| 420 | Q | C | -1.2630 | |
| 421 | G | C | 0.0000 | |
| 422 | F | C | -0.9897 | |
| 423 | R | C | -2.0234 | |
| 424 | M | C | -1.0112 | |
| 425 | R | C | -0.5103 | |
| 426 | F | C | 0.1640 | |
| 427 | G | C | 0.0000 | |
| 428 | L | C | 0.0000 | |
| 429 | V | C | 0.0000 | |
| 430 | Y | C | -0.3112 | |
| 431 | V | C | 0.0000 | |
| 432 | D | C | -1.3629 | |
| 433 | F | C | -1.3904 | |
| 434 | E | C | -2.2986 | |
| 435 | T | C | -1.5218 | |
| 436 | K | C | -1.5049 | |
| 437 | K | C | -2.1493 | |
| 438 | R | C | 0.0000 | |
| 439 | Y | C | -1.0627 | |
| 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 | -1.1422 | |
| 449 | E | C | -0.6925 | |
| 450 | I | C | 0.0000 | |
| 451 | A | C | 0.0000 | |
| 452 | T | C | -1.1999 | |
| 453 | Q | C | -1.4335 | |
| 454 | K | C | -1.9185 | |
| 455 | E | C | -2.0301 | |
| 456 | I | C | 0.0000 | |
| 457 | P | C | 0.0000 | |
| 458 | E | C | -2.6579 | |
| 459 | E | C | -2.3067 | |
| 460 | L | C | 0.0000 | |
| 461 | A | C | -1.4328 | |
| 462 | H | C | -1.2867 | |
| 463 | L | C | 0.0000 | |
| 464 | A | C | -1.0758 | |
| 465 | D | C | -1.9179 | |
| 466 | L | C | -1.1325 | |
| 467 | K | C | -1.7435 | |
| 468 | F | C | -0.2633 | |
| 469 | V | C | 0.0000 | |
| 470 | T | C | -0.3449 | |
| 1 | A | D | -1.6939 | |
| 2 | K | D | -2.6148 | |
| 3 | F | D | 0.0000 | |
| 4 | P | D | -2.0567 | |
| 5 | K | D | -2.7863 | |
| 6 | N | D | -2.4104 | |
| 7 | F | D | 0.0000 | |
| 8 | M | D | -0.9495 | |
| 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 | 0.0000 | |
| 22 | L | D | -0.2084 | |
| 23 | P | D | -0.6282 | |
| 24 | G | D | -0.8569 | |
| 25 | S | D | 0.0000 | |
| 26 | E | D | -1.9268 | |
| 27 | V | D | 0.0000 | |
| 28 | E | D | -1.8252 | |
| 29 | S | D | 0.0000 | |
| 30 | D | D | 0.0000 | |
| 31 | W | D | 0.0000 | |
| 32 | W | D | -0.2992 | |
| 33 | V | D | 0.0046 | |
| 34 | W | D | 0.0000 | |
| 35 | V | D | 0.0000 | |
| 36 | H | D | -0.5492 | |
| 37 | D | D | -0.8552 | |
| 38 | K | D | -1.6850 | |
| 39 | E | D | -0.8122 | |
| 40 | N | D | 0.0000 | |
| 41 | I | D | -0.1409 | |
| 42 | A | D | -0.2400 | |
| 43 | S | D | 0.0000 | |
| 44 | G | D | -0.4015 | |
| 45 | L | D | 0.0000 | |
| 46 | V | D | 0.0000 | |
| 47 | S | D | -0.6524 | |
| 48 | G | D | -0.7125 | |
| 49 | D | D | -0.9618 | |
| 50 | L | D | -0.4290 | |
| 51 | P | D | 0.0000 | |
| 52 | E | D | -1.0617 | |
| 53 | N | D | -1.1647 | |
| 54 | G | D | 0.0000 | |
| 55 | P | D | 0.0000 | |
| 56 | A | D | 0.0000 | |
| 57 | Y | D | 0.0000 | |
| 58 | W | D | 0.0000 | |
| 59 | H | D | -0.4784 | |
| 60 | L | D | -0.5339 | |
| 61 | Y | D | 0.0000 | |
| 62 | K | D | -2.1026 | |
| 63 | Q | D | -1.8876 | |
| 64 | D | D | 0.0000 | |
| 65 | H | D | 0.0000 | |
| 66 | D | D | -2.3529 | |
| 67 | I | D | -1.5333 | |
| 68 | A | D | 0.0000 | |
| 69 | E | D | -2.1025 | |
| 70 | K | D | -2.1380 | |
| 71 | L | D | 0.0000 | |
| 72 | G | D | -1.3495 | |
| 73 | M | D | 0.0000 | |
| 74 | D | D | -1.0314 | |
| 75 | C | D | 0.0000 | |
| 76 | I | D | 0.0000 | |
| 77 | R | D | 0.0000 | |
| 78 | G | D | 0.0000 | |
| 79 | G | D | 0.0000 | |
| 80 | I | D | 0.0000 | |
| 81 | E | D | 0.0000 | |
| 82 | W | D | 0.0000 | |
| 83 | A | D | 0.0000 | |
| 84 | R | D | 0.0000 | |
| 85 | I | D | 0.0000 | |
| 86 | F | D | 0.0000 | |
| 87 | P | D | -1.1192 | |
| 88 | K | D | -1.4371 | |
| 89 | P | D | -0.8239 | |
| 90 | T | D | 0.0000 | |
| 91 | F | D | -0.8849 | |
| 92 | D | D | -1.9148 | |
| 93 | V | D | -1.6270 | |
| 94 | K | D | -2.4887 | |
| 95 | V | D | -1.8327 | |
| 96 | D | D | -2.9727 | |
| 97 | V | D | -1.8480 | |
| 98 | E | D | -2.8210 | |
| 99 | K | D | -3.3012 | |
| 100 | D | D | -3.2666 | |
| 101 | E | D | -3.6553 | |
| 102 | E | D | -3.4276 | |
| 103 | G | D | -2.4626 | |
| 104 | N | D | -1.7396 | |
| 105 | I | D | 0.0000 | |
| 106 | I | D | 0.5040 | |
| 107 | S | D | -1.0524 | |
| 108 | V | D | 0.0000 | |
| 109 | D | D | -2.9219 | |
| 110 | V | D | 0.0000 | |
| 111 | P | D | -1.9969 | |
| 112 | E | D | -2.8245 | |
| 113 | S | D | -2.2763 | |
| 114 | T | D | -2.3974 | |
| 115 | I | D | 0.0000 | |
| 116 | K | D | -3.6174 | |
| 117 | E | D | -3.5463 | |
| 118 | L | D | 0.0000 | |
| 119 | E | D | -2.5458 | |
| 120 | K | D | -2.7192 | |
| 121 | I | D | -1.6969 | |
| 122 | A | D | -1.5378 | |
| 123 | N | D | -1.6654 | |
| 124 | M | D | -1.7667 | |
| 125 | E | D | -2.5564 | |
| 126 | A | D | 0.0000 | |
| 127 | L | D | 0.0000 | |
| 128 | E | D | -3.1306 | |
| 129 | H | D | -2.2851 | |
| 130 | Y | D | 0.0000 | |
| 131 | R | D | -2.3772 | |
| 132 | K | D | -2.9838 | |
| 133 | I | D | 0.0000 | |
| 134 | Y | D | 0.0000 | |
| 135 | S | D | -2.3593 | |
| 136 | D | D | -2.4652 | |
| 137 | W | D | 0.0000 | |
| 138 | K | D | -2.6317 | |
| 139 | E | D | -2.9765 | |
| 140 | R | D | -2.2724 | |
| 141 | G | D | -1.9618 | |
| 142 | K | D | -1.7252 | |
| 143 | T | D | -1.1415 | |
| 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 | 0.2165 | |
| 156 | W | D | 0.0850 | |
| 157 | I | D | 0.0000 | |
| 158 | H | D | 0.0000 | |
| 159 | D | D | -0.2605 | |
| 160 | P | D | 0.0000 | |
| 161 | I | D | -0.0651 | |
| 162 | A | D | -0.5840 | |
| 163 | V | D | 0.0000 | |
| 164 | R | D | 0.0000 | |
| 165 | K | D | -1.0415 | |
| 166 | L | D | -1.1023 | |
| 167 | G | D | 0.0000 | |
| 168 | P | D | -1.8512 | |
| 169 | D | D | -2.8138 | |
| 170 | R | D | -2.6073 | |
| 171 | A | D | -1.6317 | |
| 172 | P | D | -1.3383 | |
| 173 | A | D | -1.6179 | |
| 174 | G | D | 0.0000 | |
| 175 | W | D | 0.0000 | |
| 176 | L | D | 0.0000 | |
| 177 | D | D | -2.9574 | |
| 178 | E | D | -2.7084 | |
| 179 | K | D | -2.5875 | |
| 180 | T | D | 0.0000 | |
| 181 | V | D | 0.0000 | |
| 182 | V | D | -0.0286 | |
| 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 | -0.3979 | |
| 194 | H | D | -0.6079 | |
| 195 | L | D | 0.0000 | |
| 196 | D | D | -1.6705 | |
| 197 | D | D | -2.1705 | |
| 198 | L | D | 0.0000 | |
| 199 | V | D | 0.0000 | |
| 200 | D | D | -1.6940 | |
| 201 | M | D | -0.9845 | |
| 202 | W | D | 0.0000 | |
| 203 | S | D | 0.0000 | |
| 204 | T | D | 0.0000 | |
| 205 | M | D | 0.0000 | |
| 206 | N | D | -0.2623 | |
| 207 | E | D | -0.2345 | |
| 208 | P | D | 0.0000 | |
| 209 | N | D | -0.6541 | |
| 210 | V | D | -0.1784 | |
| 211 | V | D | 0.0000 | |
| 212 | Y | D | -0.9821 | |
| 213 | N | D | -1.0567 | |
| 214 | Q | D | -0.7793 | |
| 215 | G | D | 0.0000 | |
| 216 | Y | D | 0.0000 | |
| 217 | I | D | -0.5966 | |
| 218 | N | D | -0.8816 | |
| 219 | L | D | 0.0000 | |
| 220 | R | D | -1.3879 | |
| 221 | S | D | -0.8246 | |
| 222 | G | D | 0.0000 | |
| 223 | F | D | -0.1575 | |
| 224 | P | D | 0.0000 | |
| 225 | P | D | 0.0000 | |
| 226 | G | D | 0.0000 | |
| 227 | Y | D | 0.0000 | |
| 228 | L | D | 0.0000 | |
| 229 | S | D | 0.0000 | |
| 230 | F | D | -1.1921 | |
| 231 | E | D | -2.5082 | |
| 232 | A | D | 0.0000 | |
| 233 | A | D | 0.0000 | |
| 234 | E | D | -2.8286 | |
| 235 | K | D | -2.6509 | |
| 236 | A | D | 0.0000 | |
| 237 | K | D | -1.3871 | |
| 238 | F | D | -0.5480 | |
| 239 | N | D | 0.0000 | |
| 240 | L | D | 0.0000 | |
| 241 | I | D | 0.3420 | |
| 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 | -0.3503 | |
| 249 | D | D | -0.6367 | |
| 250 | A | D | 0.0000 | |
| 251 | I | D | 0.0000 | |
| 252 | K | D | -1.7531 | |
| 253 | E | D | -1.7961 | |
| 254 | Y | D | -0.9633 | |
| 255 | S | D | 0.0000 | |
| 256 | E | D | -2.3928 | |
| 257 | K | D | -1.8930 | |
| 258 | S | D | -1.2218 | |
| 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 | -0.0481 | |
| 265 | F | D | 0.0000 | |
| 266 | A | D | 0.0249 | |
| 267 | W | D | 0.0000 | |
| 268 | H | D | 0.0000 | |
| 269 | D | D | 0.0000 | |
| 270 | P | D | -0.7814 | |
| 271 | L | D | 0.6502 | |
| 272 | A | D | -1.0119 | |
| 273 | E | D | -3.1961 | |
| 274 | E | D | -3.2258 | |
| 275 | Y | D | -2.7913 | |
| 276 | K | D | -3.6351 | |
| 277 | D | D | -4.2542 | |
| 278 | E | D | -3.7962 | |
| 279 | V | D | 0.0000 | |
| 280 | E | D | -3.6445 | |
| 281 | E | D | -3.8935 | |
| 282 | I | D | -2.7744 | |
| 283 | R | D | 0.0000 | |
| 284 | K | D | -3.6668 | |
| 285 | K | D | -3.7298 | |
| 286 | D | D | -2.7412 | |
| 287 | Y | D | 0.0000 | |
| 288 | E | D | -2.2978 | |
| 289 | F | D | -0.7580 | |
| 290 | V | D | 0.0000 | |
| 291 | T | D | -0.9137 | |
| 292 | I | D | 0.1301 | |
| 293 | L | D | 0.0000 | |
| 294 | H | D | -0.8983 | |
| 295 | S | D | -0.6119 | |
| 296 | K | D | -0.9561 | |
| 297 | G | D | -1.0714 | |
| 298 | K | D | -0.8348 | |
| 299 | L | D | 0.0000 | |
| 300 | D | D | -0.9799 | |
| 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 | 0.2944 | |
| 308 | S | D | 0.0000 | |
| 309 | R | D | 0.2555 | |
| 310 | L | D | 0.7339 | |
| 311 | V | D | 0.0000 | |
| 312 | Y | D | 0.3608 | |
| 313 | G | D | 0.0000 | |
| 314 | A | D | -1.4424 | |
| 315 | K | D | -2.7753 | |
| 316 | D | D | -2.9848 | |
| 317 | G | D | -2.5103 | |
| 318 | H | D | -1.9051 | |
| 319 | L | D | -0.8490 | |
| 320 | V | D | -0.2631 | |
| 321 | P | D | 0.5362 | |
| 322 | L | D | 0.3599 | |
| 323 | P | D | -0.1709 | |
| 324 | G | D | -0.5401 | |
| 325 | Y | D | -0.1451 | |
| 326 | G | D | 0.0000 | |
| 327 | F | D | 0.7589 | |
| 328 | M | D | 0.0728 | |
| 329 | S | D | -1.0979 | |
| 330 | E | D | -2.6317 | |
| 331 | R | D | -2.6974 | |
| 332 | G | D | -1.8193 | |
| 333 | G | D | -1.2302 | |
| 334 | F | D | -0.8088 | |
| 335 | A | D | 0.0000 | |
| 336 | K | D | -1.8711 | |
| 337 | S | D | -0.9807 | |
| 338 | G | D | -0.9474 | |
| 339 | R | D | -0.7327 | |
| 340 | P | D | 0.0000 | |
| 341 | A | D | 0.0000 | |
| 342 | S | D | 0.0000 | |
| 343 | D | D | -1.6330 | |
| 344 | F | D | -0.7531 | |
| 345 | G | D | 0.0000 | |
| 346 | W | D | 0.0904 | |
| 347 | E | D | 0.0000 | |
| 348 | M | D | 0.0000 | |
| 349 | Y | D | -0.0856 | |
| 350 | P | D | 0.0000 | |
| 351 | E | D | -1.1288 | |
| 352 | G | D | 0.0000 | |
| 353 | L | D | 0.0000 | |
| 354 | E | D | -1.7960 | |
| 355 | N | D | -2.1153 | |
| 356 | L | D | 0.0000 | |
| 357 | L | D | 0.0000 | |
| 358 | K | D | -2.7127 | |
| 359 | Y | D | -1.6140 | |
| 360 | L | D | 0.0000 | |
| 361 | N | D | -2.3246 | |
| 362 | N | D | -2.1656 | |
| 363 | A | D | -1.4130 | |
| 364 | Y | D | 0.0000 | |
| 365 | E | D | -2.4727 | |
| 366 | L | D | 0.0000 | |
| 367 | P | D | -1.1083 | |
| 368 | M | D | 0.0000 | |
| 369 | I | D | 0.0000 | |
| 370 | I | D | 0.0000 | |
| 371 | T | D | 0.0000 | |
| 372 | E | D | -0.1300 | |
| 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 | -0.3613 | |
| 379 | A | D | -0.1615 | |
| 380 | D | D | -0.3377 | |
| 381 | R | D | -0.5266 | |
| 382 | Y | D | -0.1935 | |
| 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 | -0.8069 | |
| 393 | A | D | 0.0000 | |
| 394 | V | D | 0.0000 | |
| 395 | Y | D | -1.1962 | |
| 396 | N | D | -1.8814 | |
| 397 | A | D | 0.0000 | |
| 398 | M | D | -2.0282 | |
| 399 | K | D | -2.6911 | |
| 400 | E | D | -3.3470 | |
| 401 | G | D | -2.4355 | |
| 402 | A | D | 0.0000 | |
| 403 | D | D | -1.7757 | |
| 404 | V | D | 0.0000 | |
| 405 | R | D | -1.4703 | |
| 406 | G | D | 0.0000 | |
| 407 | Y | D | 0.0000 | |
| 408 | L | D | 0.0000 | |
| 409 | H | D | 0.0000 | |
| 410 | W | D | 0.0496 | |
| 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 | -0.5463 | |
| 418 | W | D | 0.0169 | |
| 419 | A | D | 0.0000 | |
| 420 | Q | D | -1.1051 | |
| 421 | G | D | 0.0000 | |
| 422 | F | D | -0.9169 | |
| 423 | R | D | -1.9381 | |
| 424 | M | D | 0.0000 | |
| 425 | R | D | -0.6275 | |
| 426 | F | D | 0.0000 | |
| 427 | G | D | 0.0000 | |
| 428 | L | D | 0.0000 | |
| 429 | V | D | 0.0000 | |
| 430 | Y | D | -0.2690 | |
| 431 | V | D | 0.0000 | |
| 432 | D | D | -1.4267 | |
| 433 | F | D | -1.3745 | |
| 434 | E | D | -2.2587 | |
| 435 | T | D | -1.6277 | |
| 436 | K | D | -1.5158 | |
| 437 | K | D | -2.2783 | |
| 438 | R | D | -1.4577 | |
| 439 | Y | D | -1.0840 | |
| 440 | L | D | 0.0000 | |
| 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 | -1.1336 | |
| 449 | E | D | -0.9294 | |
| 450 | I | D | 0.0000 | |
| 451 | A | D | 0.0000 | |
| 452 | T | D | -1.2895 | |
| 453 | Q | D | -2.0766 | |
| 454 | K | D | -2.0866 | |
| 455 | E | D | -2.1216 | |
| 456 | I | D | 0.0000 | |
| 457 | P | D | -1.9726 | |
| 458 | E | D | -2.6708 | |
| 459 | E | D | -2.2919 | |
| 460 | L | D | 0.0000 | |
| 461 | A | D | -1.0765 | |
| 462 | H | D | 0.0000 | |
| 463 | L | D | 0.0000 | |
| 464 | A | D | -0.9780 | |
| 465 | D | D | -1.0970 | |
| 466 | L | D | 0.0000 | |
| 467 | K | D | -1.8109 | |
| 468 | F | D | -0.6211 | |
| 469 | V | D | 0.0000 | |
| 470 | T | D | -0.6551 |
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 | -0.6261 | 3.0021 | View | CSV | PDB |
| 4.5 | -0.7022 | 2.9708 | View | CSV | PDB |
| 5.0 | -0.7978 | 2.9209 | View | CSV | PDB |
| 5.5 | -0.8946 | 2.8598 | View | CSV | PDB |
| 6.0 | -0.9726 | 2.7975 | View | CSV | PDB |
| 6.5 | -1.0159 | 2.7437 | View | CSV | PDB |
| 7.0 | -1.022 | 2.7073 | View | CSV | PDB |
| 7.5 | -1.0015 | 2.6891 | View | CSV | PDB |
| 8.0 | -0.9662 | 2.6821 | View | CSV | PDB |
| 8.5 | -0.9215 | 2.6796 | View | CSV | PDB |
| 9.0 | -0.8682 | 2.6787 | 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