| 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 (00:59:09)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/ff616a21a48179/tmp/folded.pdb (00:59:09)
[INFO] Main: Simulation completed successfully. (01:36:13)
|
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 | -1.5150 | |
| 2 | K | A | -2.3208 | |
| 3 | F | A | 0.0000 | |
| 4 | P | A | -2.1099 | |
| 5 | K | A | -2.8295 | |
| 6 | N | A | -2.4873 | |
| 7 | F | A | 0.0000 | |
| 8 | M | A | -1.0352 | |
| 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 | -0.1376 | |
| 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 | -0.4977 | |
| 23 | P | A | -1.0335 | |
| 24 | G | A | -0.9734 | |
| 25 | S | A | 0.0000 | |
| 26 | E | A | -2.4066 | |
| 27 | V | A | -1.6142 | |
| 28 | E | A | -1.8168 | |
| 29 | S | A | 0.0000 | |
| 30 | D | A | 0.0000 | |
| 31 | W | A | 0.0000 | |
| 32 | W | A | 0.0000 | |
| 33 | V | A | 0.1911 | |
| 34 | W | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | H | A | -1.3948 | |
| 37 | D | A | -1.4419 | |
| 38 | K | A | -2.0927 | |
| 39 | E | A | -1.0470 | |
| 40 | N | A | 0.0000 | |
| 41 | I | A | -0.6359 | |
| 42 | A | A | -0.3782 | |
| 43 | S | A | 0.0000 | |
| 44 | G | A | -0.5838 | |
| 45 | L | A | 0.0000 | |
| 46 | V | A | 0.0000 | |
| 47 | S | A | -0.5794 | |
| 48 | G | A | -1.0691 | |
| 49 | D | A | -1.3876 | |
| 50 | L | A | -1.2816 | |
| 51 | P | A | 0.0000 | |
| 52 | E | A | -2.5314 | |
| 53 | N | A | -2.2811 | |
| 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 | -0.6949 | |
| 60 | L | A | -0.6913 | |
| 61 | Y | A | 0.0000 | |
| 62 | K | A | -2.9199 | |
| 63 | Q | A | -2.7968 | |
| 64 | D | A | 0.0000 | |
| 65 | H | A | 0.0000 | |
| 66 | D | A | -3.4195 | |
| 67 | I | A | -2.0920 | |
| 68 | A | A | 0.0000 | |
| 69 | E | A | -2.9303 | |
| 70 | K | A | -2.4872 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | -1.4927 | |
| 73 | M | A | 0.0000 | |
| 74 | D | A | -1.0316 | |
| 75 | C | A | 0.0000 | |
| 76 | I | A | 0.0000 | |
| 77 | R | A | 0.0000 | |
| 78 | G | A | 0.0000 | |
| 79 | G | A | -0.1680 | |
| 80 | I | A | 0.0000 | |
| 81 | E | A | -0.4179 | |
| 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 | -1.1578 | |
| 88 | K | A | -2.0206 | |
| 89 | P | A | -1.0043 | |
| 90 | T | A | 0.0000 | |
| 91 | F | A | -0.8815 | |
| 92 | D | A | -2.2279 | |
| 93 | V | A | 0.0000 | |
| 94 | K | A | -2.3979 | |
| 95 | V | A | -2.1412 | |
| 96 | D | A | -2.9960 | |
| 97 | V | A | -2.2885 | |
| 98 | E | A | -2.9492 | |
| 99 | K | A | -3.4109 | |
| 100 | D | A | -3.7233 | |
| 101 | E | A | -3.9390 | |
| 102 | E | A | -3.8129 | |
| 103 | G | A | -3.4353 | |
| 104 | N | A | -2.3820 | |
| 105 | I | A | 0.0000 | |
| 106 | I | A | -0.0834 | |
| 107 | S | A | -1.2176 | |
| 108 | V | A | -1.7850 | |
| 109 | D | A | -3.0821 | |
| 110 | V | A | 0.0000 | |
| 111 | P | A | -2.3805 | |
| 112 | E | A | -2.8060 | |
| 113 | S | A | -2.2704 | |
| 114 | T | A | 0.0000 | |
| 115 | I | A | 0.0000 | |
| 116 | K | A | -3.4955 | |
| 117 | E | A | -3.8182 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -2.6555 | |
| 120 | K | A | -2.9891 | |
| 121 | I | A | -1.8328 | |
| 122 | A | A | -1.5212 | |
| 123 | N | A | -1.5428 | |
| 124 | M | A | -1.5453 | |
| 125 | E | A | -2.3258 | |
| 126 | A | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -2.7233 | |
| 129 | H | A | -2.1021 | |
| 130 | Y | A | 0.0000 | |
| 131 | R | A | -2.0646 | |
| 132 | K | A | -2.5257 | |
| 133 | I | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | S | A | -1.9389 | |
| 136 | D | A | -2.1573 | |
| 137 | W | A | 0.0000 | |
| 138 | K | A | -2.1116 | |
| 139 | E | A | -2.5466 | |
| 140 | R | A | -2.4247 | |
| 141 | G | A | -1.6611 | |
| 142 | K | A | -1.3128 | |
| 143 | T | A | -0.6251 | |
| 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 | -0.1517 | |
| 151 | W | A | 0.1106 | |
| 152 | P | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | L | A | 0.0781 | |
| 156 | W | A | 0.0100 | |
| 157 | I | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | D | A | -0.4664 | |
| 160 | P | A | 0.0000 | |
| 161 | I | A | -0.0611 | |
| 162 | A | A | 0.0000 | |
| 163 | V | A | 0.0000 | |
| 164 | R | A | 0.0000 | |
| 165 | K | A | -1.2266 | |
| 166 | L | A | -1.0888 | |
| 167 | G | A | 0.0000 | |
| 168 | P | A | -1.6917 | |
| 169 | D | A | -2.6572 | |
| 170 | R | A | -2.6538 | |
| 171 | A | A | -1.6995 | |
| 172 | P | A | -1.1419 | |
| 173 | A | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | W | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | D | A | -2.2754 | |
| 178 | E | A | -3.2332 | |
| 179 | K | A | -2.0707 | |
| 180 | T | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | V | A | 0.0000 | |
| 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 | 0.3208 | |
| 194 | H | A | -0.2668 | |
| 195 | L | A | 0.0000 | |
| 196 | D | A | -1.3881 | |
| 197 | D | A | -2.0253 | |
| 198 | L | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | D | A | -1.3602 | |
| 201 | M | A | -0.6335 | |
| 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 | -0.1355 | |
| 208 | P | A | 0.0000 | |
| 209 | N | A | -0.5846 | |
| 210 | V | A | 0.1720 | |
| 211 | V | A | 0.0000 | |
| 212 | Y | A | -0.3548 | |
| 213 | N | A | -0.2806 | |
| 214 | Q | A | -0.4118 | |
| 215 | G | A | 0.0000 | |
| 216 | Y | A | 0.0000 | |
| 217 | I | A | 0.3478 | |
| 218 | N | A | -0.8141 | |
| 219 | L | A | 0.0000 | |
| 220 | R | A | -2.4249 | |
| 221 | S | A | -1.3183 | |
| 222 | G | A | 0.0000 | |
| 223 | F | A | 0.0000 | |
| 224 | P | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | G | A | -0.4184 | |
| 227 | Y | A | 0.0879 | |
| 228 | L | A | 0.0181 | |
| 229 | S | A | -0.4274 | |
| 230 | F | A | 0.0048 | |
| 231 | E | A | -2.1145 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | E | A | -2.9282 | |
| 235 | K | A | -2.7860 | |
| 236 | A | A | 0.0000 | |
| 237 | K | A | -1.6632 | |
| 238 | F | A | -1.1030 | |
| 239 | N | A | 0.0000 | |
| 240 | L | A | 0.0000 | |
| 241 | I | A | 0.1260 | |
| 242 | Q | A | 0.0000 | |
| 243 | A | A | 0.0000 | |
| 244 | H | A | 0.0000 | |
| 245 | I | A | -0.1406 | |
| 246 | G | A | 0.0000 | |
| 247 | A | A | 0.0000 | |
| 248 | Y | A | -0.9594 | |
| 249 | D | A | -2.1283 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | K | A | -2.4801 | |
| 253 | E | A | -2.7108 | |
| 254 | Y | A | -1.1086 | |
| 255 | S | A | 0.0000 | |
| 256 | E | A | -2.5565 | |
| 257 | K | A | -1.6062 | |
| 258 | S | A | -0.9769 | |
| 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 | -0.0262 | |
| 265 | F | A | 0.0000 | |
| 266 | A | A | -0.1269 | |
| 267 | W | A | 0.0000 | |
| 268 | H | A | 0.0000 | |
| 269 | D | A | -0.5709 | |
| 270 | P | A | -1.0958 | |
| 271 | L | A | 0.5938 | |
| 272 | A | A | -0.9831 | |
| 273 | E | A | -3.3096 | |
| 274 | E | A | -3.4647 | |
| 275 | Y | A | -3.1002 | |
| 276 | K | A | -4.4787 | |
| 277 | D | A | -4.7195 | |
| 278 | E | A | -4.4356 | |
| 279 | V | A | 0.0000 | |
| 280 | E | A | -4.0608 | |
| 281 | E | A | -4.4888 | |
| 282 | I | A | -3.1817 | |
| 283 | R | A | 0.0000 | |
| 284 | K | A | -4.0304 | |
| 285 | K | A | -4.3348 | |
| 286 | D | A | -3.7474 | |
| 287 | Y | A | 0.0000 | |
| 288 | E | A | -3.2321 | |
| 289 | F | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | T | A | -1.0948 | |
| 292 | I | A | -0.2563 | |
| 293 | L | A | 0.0000 | |
| 294 | H | A | -1.1474 | |
| 295 | S | A | -1.1425 | |
| 296 | K | A | -2.0569 | |
| 297 | G | A | -1.6240 | |
| 298 | K | A | -1.4972 | |
| 299 | L | A | 0.0000 | |
| 300 | D | A | -0.6563 | |
| 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 | 0.3197 | |
| 308 | S | A | 0.0000 | |
| 309 | R | A | 0.1035 | |
| 310 | L | A | 0.6531 | |
| 311 | V | A | 0.0000 | |
| 312 | Y | A | 0.7590 | |
| 313 | G | A | 0.0000 | |
| 314 | A | A | -0.9670 | |
| 315 | K | A | -2.5675 | |
| 316 | D | A | -2.8691 | |
| 317 | G | A | -1.9783 | |
| 318 | H | A | -1.5142 | |
| 319 | L | A | -0.5630 | |
| 320 | V | A | 0.7711 | |
| 321 | P | A | 1.0056 | |
| 322 | L | A | 0.7048 | |
| 323 | P | A | -0.1487 | |
| 324 | G | A | -0.5911 | |
| 325 | Y | A | -0.0893 | |
| 326 | G | A | 0.0000 | |
| 327 | F | A | 1.0180 | |
| 328 | M | A | 0.1136 | |
| 329 | S | A | 0.0000 | |
| 330 | E | A | -2.5407 | |
| 331 | R | A | -2.6514 | |
| 332 | G | A | -1.5211 | |
| 333 | G | A | -0.9071 | |
| 334 | F | A | -0.2811 | |
| 335 | A | A | 0.0000 | |
| 336 | K | A | -1.7898 | |
| 337 | S | A | -0.8743 | |
| 338 | G | A | -0.5496 | |
| 339 | R | A | -0.3516 | |
| 340 | P | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | D | A | -1.7048 | |
| 344 | F | A | -0.1181 | |
| 345 | G | A | 0.0000 | |
| 346 | W | A | 0.1705 | |
| 347 | E | A | 0.0000 | |
| 348 | M | A | 0.0000 | |
| 349 | Y | A | -0.0687 | |
| 350 | P | A | 0.0000 | |
| 351 | E | A | -0.9116 | |
| 352 | G | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -1.3291 | |
| 355 | N | A | -1.1557 | |
| 356 | L | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | K | A | -2.3042 | |
| 359 | Y | A | -1.3304 | |
| 360 | L | A | 0.0000 | |
| 361 | N | A | -2.3769 | |
| 362 | N | A | -2.0959 | |
| 363 | A | A | -1.3955 | |
| 364 | Y | A | 0.0000 | |
| 365 | E | A | -2.4206 | |
| 366 | L | A | -1.1381 | |
| 367 | P | A | -1.0280 | |
| 368 | M | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | E | A | -0.1774 | |
| 373 | N | A | 0.0000 | |
| 374 | G | A | 0.0000 | |
| 375 | M | A | 0.0000 | |
| 376 | A | A | 0.0000 | |
| 377 | D | A | -0.8413 | |
| 378 | A | A | -0.3704 | |
| 379 | A | A | -0.0795 | |
| 380 | D | A | 0.0000 | |
| 381 | R | A | -0.4738 | |
| 382 | Y | A | -0.1390 | |
| 383 | R | A | 0.0000 | |
| 384 | P | A | 0.0000 | |
| 385 | H | A | -0.3469 | |
| 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 | -0.9512 | |
| 393 | A | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | Y | A | -1.1827 | |
| 396 | N | A | -1.7165 | |
| 397 | A | A | 0.0000 | |
| 398 | M | A | -1.9024 | |
| 399 | K | A | -2.6730 | |
| 400 | E | A | -3.1647 | |
| 401 | G | A | -2.1710 | |
| 402 | A | A | 0.0000 | |
| 403 | D | A | -1.6739 | |
| 404 | V | A | 0.0000 | |
| 405 | R | A | -1.8347 | |
| 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 | -1.0944 | |
| 418 | W | A | 0.0000 | |
| 419 | A | A | -0.6657 | |
| 420 | Q | A | -1.2701 | |
| 421 | G | A | 0.0000 | |
| 422 | F | A | -0.9774 | |
| 423 | R | A | -1.9941 | |
| 424 | M | A | -0.9772 | |
| 425 | R | A | -0.7490 | |
| 426 | F | A | 0.0000 | |
| 427 | G | A | 0.0000 | |
| 428 | L | A | 0.0000 | |
| 429 | V | A | 0.0000 | |
| 430 | Y | A | 0.0000 | |
| 431 | V | A | 0.0000 | |
| 432 | D | A | -1.4299 | |
| 433 | F | A | 0.0000 | |
| 434 | E | A | -2.4319 | |
| 435 | T | A | -1.7994 | |
| 436 | K | A | -1.6556 | |
| 437 | K | A | -2.4301 | |
| 438 | R | A | -1.2758 | |
| 439 | Y | A | -0.8191 | |
| 440 | L | A | 0.0000 | |
| 441 | R | A | 0.0000 | |
| 442 | P | A | 0.0000 | |
| 443 | S | A | 0.0000 | |
| 444 | A | A | 0.0000 | |
| 445 | L | A | 0.0000 | |
| 446 | V | A | 0.0000 | |
| 447 | F | A | 0.0000 | |
| 448 | R | A | -0.9663 | |
| 449 | E | A | -0.6720 | |
| 450 | I | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | T | A | -1.0007 | |
| 453 | Q | A | -1.7076 | |
| 454 | K | A | -2.0628 | |
| 455 | E | A | -2.1721 | |
| 456 | I | A | 0.0000 | |
| 457 | P | A | -1.6939 | |
| 458 | E | A | -2.3905 | |
| 459 | E | A | -1.7908 | |
| 460 | L | A | 0.0000 | |
| 461 | A | A | -1.2837 | |
| 462 | H | A | -1.1558 | |
| 463 | L | A | 0.0000 | |
| 464 | A | A | -1.3581 | |
| 465 | D | A | -1.8542 | |
| 466 | L | A | -1.1276 | |
| 467 | K | A | -1.6531 | |
| 468 | F | A | -0.2664 | |
| 469 | V | A | -0.1789 | |
| 470 | T | A | -0.3857 | |
| 1 | A | B | -1.1258 | |
| 2 | K | B | -2.3318 | |
| 3 | F | B | 0.0000 | |
| 4 | P | B | -2.0876 | |
| 5 | K | B | -2.6651 | |
| 6 | N | B | -2.2330 | |
| 7 | F | B | 0.0000 | |
| 8 | M | B | -0.8928 | |
| 9 | F | B | 0.0000 | |
| 10 | G | B | 0.0000 | |
| 11 | Y | B | 0.0000 | |
| 12 | S | B | 0.0000 | |
| 13 | W | B | 0.0000 | |
| 14 | S | B | 0.0000 | |
| 15 | G | B | 0.0000 | |
| 16 | F | B | 0.0000 | |
| 17 | Q | B | 0.0000 | |
| 18 | F | B | 0.0000 | |
| 19 | E | B | 0.0000 | |
| 20 | M | B | 0.0000 | |
| 21 | G | B | 0.0000 | |
| 22 | L | B | -0.7560 | |
| 23 | P | B | -1.0294 | |
| 24 | G | B | -0.9761 | |
| 25 | S | B | 0.0000 | |
| 26 | E | B | -2.4582 | |
| 27 | V | B | -1.5992 | |
| 28 | E | B | -1.8967 | |
| 29 | S | B | 0.0000 | |
| 30 | D | B | 0.0000 | |
| 31 | W | B | 0.0000 | |
| 32 | W | B | 0.0000 | |
| 33 | V | B | -0.2546 | |
| 34 | W | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | H | B | -1.5480 | |
| 37 | D | B | -1.4778 | |
| 38 | K | B | -2.2797 | |
| 39 | E | B | -1.2383 | |
| 40 | N | B | 0.0000 | |
| 41 | I | B | -1.0888 | |
| 42 | A | B | -0.6706 | |
| 43 | S | B | 0.0000 | |
| 44 | G | B | -1.2240 | |
| 45 | L | B | 0.0000 | |
| 46 | V | B | 0.0000 | |
| 47 | S | B | -0.9500 | |
| 48 | G | B | -1.2887 | |
| 49 | D | B | -1.6743 | |
| 50 | L | B | -1.1667 | |
| 51 | P | B | 0.0000 | |
| 52 | E | B | -2.4923 | |
| 53 | N | B | -2.1188 | |
| 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 | -0.7699 | |
| 60 | L | B | -0.7872 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -2.6911 | |
| 63 | Q | B | -2.4769 | |
| 64 | D | B | 0.0000 | |
| 65 | H | B | 0.0000 | |
| 66 | D | B | -3.1969 | |
| 67 | I | B | -1.9434 | |
| 68 | A | B | 0.0000 | |
| 69 | E | B | -2.5659 | |
| 70 | K | B | -2.4893 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -1.3376 | |
| 73 | M | B | 0.0000 | |
| 74 | D | B | -0.8738 | |
| 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 | -0.1718 | |
| 82 | W | B | 0.0000 | |
| 83 | A | B | 0.0000 | |
| 84 | R | B | 0.0000 | |
| 85 | I | B | 0.0000 | |
| 86 | F | B | 0.0000 | |
| 87 | P | B | -0.9852 | |
| 88 | K | B | -1.2664 | |
| 89 | P | B | -0.3952 | |
| 90 | T | B | 0.0000 | |
| 91 | F | B | 0.4592 | |
| 92 | D | B | -1.4291 | |
| 93 | V | B | 0.0000 | |
| 94 | K | B | -2.4884 | |
| 95 | V | B | -1.7195 | |
| 96 | D | B | -2.9389 | |
| 97 | V | B | -1.9442 | |
| 98 | E | B | -2.9990 | |
| 99 | K | B | -3.6863 | |
| 100 | D | B | -3.6489 | |
| 101 | E | B | -3.7189 | |
| 102 | E | B | -3.5924 | |
| 103 | G | B | -2.9892 | |
| 104 | N | B | -2.0531 | |
| 105 | I | B | 0.0000 | |
| 106 | I | B | -0.2305 | |
| 107 | S | B | -1.3774 | |
| 108 | V | B | 0.0000 | |
| 109 | D | B | -3.2368 | |
| 110 | V | B | 0.0000 | |
| 111 | P | B | -2.3900 | |
| 112 | E | B | -2.6318 | |
| 113 | S | B | -2.1119 | |
| 114 | T | B | 0.0000 | |
| 115 | I | B | 0.0000 | |
| 116 | K | B | -3.1193 | |
| 117 | E | B | -3.7118 | |
| 118 | L | B | 0.0000 | |
| 119 | E | B | -2.2992 | |
| 120 | K | B | -2.6108 | |
| 121 | I | B | -1.4772 | |
| 122 | A | B | -1.4420 | |
| 123 | N | B | -1.5580 | |
| 124 | M | B | -1.4854 | |
| 125 | E | B | -2.2855 | |
| 126 | A | B | 0.0000 | |
| 127 | L | B | 0.0000 | |
| 128 | E | B | -2.3592 | |
| 129 | H | B | -1.8617 | |
| 130 | Y | B | 0.0000 | |
| 131 | R | B | -1.7053 | |
| 132 | K | B | -2.1528 | |
| 133 | I | B | 0.0000 | |
| 134 | Y | B | 0.0000 | |
| 135 | S | B | -1.5836 | |
| 136 | D | B | 0.0000 | |
| 137 | W | B | 0.0000 | |
| 138 | K | B | -1.9705 | |
| 139 | E | B | -2.4290 | |
| 140 | R | B | -2.2723 | |
| 141 | G | B | -1.7070 | |
| 142 | K | B | -1.4848 | |
| 143 | T | B | -0.6784 | |
| 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 | -0.2171 | |
| 151 | W | B | 0.0000 | |
| 152 | P | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | L | B | 0.2355 | |
| 156 | W | B | 0.1525 | |
| 157 | I | B | 0.0000 | |
| 158 | H | B | 0.0000 | |
| 159 | D | B | -0.4689 | |
| 160 | P | B | 0.0000 | |
| 161 | I | B | -0.1612 | |
| 162 | A | B | -0.5735 | |
| 163 | V | B | 0.0000 | |
| 164 | R | B | -0.7326 | |
| 165 | K | B | -1.2093 | |
| 166 | L | B | -1.1687 | |
| 167 | G | B | 0.0000 | |
| 168 | P | B | -1.4859 | |
| 169 | D | B | -2.1650 | |
| 170 | R | B | -1.4553 | |
| 171 | A | B | -1.1167 | |
| 172 | P | B | -0.7944 | |
| 173 | A | B | -1.0729 | |
| 174 | G | B | 0.0000 | |
| 175 | W | B | 0.0000 | |
| 176 | L | B | 0.0000 | |
| 177 | D | B | -2.3168 | |
| 178 | E | B | -2.7471 | |
| 179 | K | B | -2.1245 | |
| 180 | T | B | 0.0000 | |
| 181 | V | B | 0.0000 | |
| 182 | V | B | -0.2916 | |
| 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 | -0.3390 | |
| 194 | H | B | -0.4967 | |
| 195 | L | B | 0.0000 | |
| 196 | D | B | -1.6584 | |
| 197 | D | B | -2.0745 | |
| 198 | L | B | -1.3619 | |
| 199 | V | B | 0.0000 | |
| 200 | D | B | -1.2495 | |
| 201 | M | B | -0.7317 | |
| 202 | W | B | 0.0000 | |
| 203 | S | B | 0.0000 | |
| 204 | T | B | 0.0000 | |
| 205 | M | B | 0.0000 | |
| 206 | N | B | -0.2491 | |
| 207 | E | B | -0.2474 | |
| 208 | P | B | 0.0000 | |
| 209 | N | B | -0.4292 | |
| 210 | V | B | -0.2654 | |
| 211 | V | B | 0.0000 | |
| 212 | Y | B | 0.0000 | |
| 213 | N | B | -1.1372 | |
| 214 | Q | B | -1.1010 | |
| 215 | G | B | 0.0000 | |
| 216 | Y | B | 0.0000 | |
| 217 | I | B | -0.6240 | |
| 218 | N | B | -0.9078 | |
| 219 | L | B | 0.0000 | |
| 220 | R | B | -2.2645 | |
| 221 | S | B | -1.3041 | |
| 222 | G | B | -0.7041 | |
| 223 | F | B | 0.0000 | |
| 224 | P | B | 0.0000 | |
| 225 | P | B | 0.0000 | |
| 226 | G | B | 0.0000 | |
| 227 | Y | B | -0.2692 | |
| 228 | L | B | 0.0000 | |
| 229 | S | B | -0.6704 | |
| 230 | F | B | -1.0544 | |
| 231 | E | B | -2.2121 | |
| 232 | A | B | 0.0000 | |
| 233 | A | B | 0.0000 | |
| 234 | E | B | -2.5709 | |
| 235 | K | B | -2.1075 | |
| 236 | A | B | 0.0000 | |
| 237 | K | B | -1.0360 | |
| 238 | F | B | -0.1529 | |
| 239 | N | B | 0.0000 | |
| 240 | L | B | 0.0000 | |
| 241 | I | B | 0.5050 | |
| 242 | Q | B | 0.0000 | |
| 243 | A | B | 0.0000 | |
| 244 | H | B | 0.0000 | |
| 245 | I | B | 0.0000 | |
| 246 | G | B | 0.0000 | |
| 247 | A | B | 0.0000 | |
| 248 | Y | B | -0.7665 | |
| 249 | D | B | -1.3614 | |
| 250 | A | B | 0.0000 | |
| 251 | I | B | 0.0000 | |
| 252 | K | B | -2.2412 | |
| 253 | E | B | -2.6753 | |
| 254 | Y | B | -1.4433 | |
| 255 | S | B | 0.0000 | |
| 256 | E | B | -2.5981 | |
| 257 | K | B | -1.7555 | |
| 258 | S | B | -1.0570 | |
| 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 | -0.0274 | |
| 265 | F | B | 0.0000 | |
| 266 | A | B | -0.0817 | |
| 267 | W | B | 0.0000 | |
| 268 | H | B | 0.0000 | |
| 269 | D | B | -0.4169 | |
| 270 | P | B | -1.2748 | |
| 271 | L | B | 0.0078 | |
| 272 | A | B | -1.1973 | |
| 273 | E | B | -2.9917 | |
| 274 | E | B | -3.2334 | |
| 275 | Y | B | -2.4754 | |
| 276 | K | B | -3.5828 | |
| 277 | D | B | -4.2728 | |
| 278 | E | B | -3.9661 | |
| 279 | V | B | 0.0000 | |
| 280 | E | B | -3.9430 | |
| 281 | E | B | -4.6344 | |
| 282 | I | B | -3.3504 | |
| 283 | R | B | 0.0000 | |
| 284 | K | B | -4.3183 | |
| 285 | K | B | -4.1961 | |
| 286 | D | B | -3.3474 | |
| 287 | Y | B | 0.0000 | |
| 288 | E | B | -2.5458 | |
| 289 | F | B | 0.0000 | |
| 290 | V | B | 0.0000 | |
| 291 | T | B | -0.8810 | |
| 292 | I | B | -0.0261 | |
| 293 | L | B | 0.0000 | |
| 294 | H | B | -1.2913 | |
| 295 | S | B | -0.7987 | |
| 296 | K | B | -1.2271 | |
| 297 | G | B | -1.3576 | |
| 298 | K | B | -1.2170 | |
| 299 | L | B | 0.0000 | |
| 300 | D | B | -0.7631 | |
| 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 | 0.3297 | |
| 308 | S | B | 0.0000 | |
| 309 | R | B | 0.1403 | |
| 310 | L | B | 0.4042 | |
| 311 | V | B | 0.0000 | |
| 312 | Y | B | 0.0000 | |
| 313 | G | B | 0.0000 | |
| 314 | A | B | -1.4406 | |
| 315 | K | B | -2.7050 | |
| 316 | D | B | -2.9611 | |
| 317 | G | B | -2.0856 | |
| 318 | H | B | -1.6233 | |
| 319 | L | B | -0.7146 | |
| 320 | V | B | -0.1431 | |
| 321 | P | B | 0.1639 | |
| 322 | L | B | 0.1770 | |
| 323 | P | B | -0.3180 | |
| 324 | G | B | -0.6538 | |
| 325 | Y | B | -0.1596 | |
| 326 | G | B | 0.0000 | |
| 327 | F | B | 0.7132 | |
| 328 | M | B | 0.0336 | |
| 329 | S | B | 0.0000 | |
| 330 | E | B | -2.7861 | |
| 331 | R | B | -3.0540 | |
| 332 | G | B | -2.2297 | |
| 333 | G | B | -1.3982 | |
| 334 | F | B | -0.5160 | |
| 335 | A | B | 0.0000 | |
| 336 | K | B | -1.8709 | |
| 337 | S | B | -0.9258 | |
| 338 | G | B | -0.6526 | |
| 339 | R | B | -0.5049 | |
| 340 | P | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | S | B | 0.0000 | |
| 343 | D | B | -2.8073 | |
| 344 | F | B | -1.3032 | |
| 345 | G | B | 0.0000 | |
| 346 | W | B | -0.0005 | |
| 347 | E | B | 0.0000 | |
| 348 | M | B | 0.0000 | |
| 349 | Y | B | -0.0520 | |
| 350 | P | B | 0.0000 | |
| 351 | E | B | -1.0108 | |
| 352 | G | B | 0.0000 | |
| 353 | L | B | 0.0000 | |
| 354 | E | B | -1.2941 | |
| 355 | N | B | -1.1206 | |
| 356 | L | B | 0.0000 | |
| 357 | L | B | 0.0000 | |
| 358 | K | B | -1.7681 | |
| 359 | Y | B | -0.9533 | |
| 360 | L | B | 0.0000 | |
| 361 | N | B | -1.7445 | |
| 362 | N | B | -1.9329 | |
| 363 | A | B | -1.3663 | |
| 364 | Y | B | 0.0000 | |
| 365 | E | B | -2.2667 | |
| 366 | L | B | -1.1729 | |
| 367 | P | B | -0.9016 | |
| 368 | M | B | 0.0000 | |
| 369 | I | B | 0.0000 | |
| 370 | I | B | 0.0000 | |
| 371 | T | B | 0.0000 | |
| 372 | E | B | 0.0000 | |
| 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 | -0.4294 | |
| 379 | A | B | -0.2161 | |
| 380 | D | B | 0.0000 | |
| 381 | R | B | -0.3628 | |
| 382 | Y | B | 0.0000 | |
| 383 | R | B | 0.0000 | |
| 384 | P | B | 0.0000 | |
| 385 | H | B | 0.0000 | |
| 386 | Y | B | 0.0000 | |
| 387 | L | B | 0.0000 | |
| 388 | V | B | 0.0000 | |
| 389 | S | B | 0.0000 | |
| 390 | H | B | 0.0000 | |
| 391 | L | B | 0.0000 | |
| 392 | K | B | -1.2260 | |
| 393 | A | B | 0.0000 | |
| 394 | V | B | 0.0000 | |
| 395 | Y | B | -1.2855 | |
| 396 | N | B | -1.8398 | |
| 397 | A | B | 0.0000 | |
| 398 | M | B | -1.9559 | |
| 399 | K | B | -2.8060 | |
| 400 | E | B | -3.1110 | |
| 401 | G | B | -2.2536 | |
| 402 | A | B | -2.1240 | |
| 403 | D | B | -1.9169 | |
| 404 | V | B | 0.0000 | |
| 405 | R | B | -1.6905 | |
| 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 | 0.1354 | |
| 419 | A | B | -0.4441 | |
| 420 | Q | B | -0.9403 | |
| 421 | G | B | 0.0000 | |
| 422 | F | B | -0.8560 | |
| 423 | R | B | -2.0934 | |
| 424 | M | B | 0.0000 | |
| 425 | R | B | -0.7714 | |
| 426 | F | B | 0.0000 | |
| 427 | G | B | 0.0000 | |
| 428 | L | B | 0.0000 | |
| 429 | V | B | 0.0000 | |
| 430 | Y | B | -0.2630 | |
| 431 | V | B | 0.0000 | |
| 432 | D | B | -1.5656 | |
| 433 | F | B | 0.0000 | |
| 434 | E | B | -2.4193 | |
| 435 | T | B | -1.6950 | |
| 436 | K | B | 0.0000 | |
| 437 | K | B | -2.2227 | |
| 438 | R | B | -1.2157 | |
| 439 | Y | B | -0.8626 | |
| 440 | L | B | 0.0000 | |
| 441 | R | B | 0.0000 | |
| 442 | P | B | 0.0000 | |
| 443 | S | B | 0.0000 | |
| 444 | A | B | 0.0000 | |
| 445 | L | B | 0.0000 | |
| 446 | V | B | 0.0000 | |
| 447 | F | B | 0.0000 | |
| 448 | R | B | -0.9184 | |
| 449 | E | B | -0.7192 | |
| 450 | I | B | 0.0000 | |
| 451 | A | B | 0.0000 | |
| 452 | T | B | -1.1911 | |
| 453 | Q | B | -1.4801 | |
| 454 | K | B | -1.9581 | |
| 455 | E | B | -1.9203 | |
| 456 | I | B | 0.0000 | |
| 457 | P | B | -1.7592 | |
| 458 | E | B | -2.3150 | |
| 459 | E | B | -2.0629 | |
| 460 | L | B | 0.0000 | |
| 461 | A | B | -0.8965 | |
| 462 | H | B | 0.0000 | |
| 463 | L | B | 0.0000 | |
| 464 | A | B | -0.9402 | |
| 465 | D | B | -0.8365 | |
| 466 | L | B | -0.6889 | |
| 467 | K | B | -1.5739 | |
| 468 | F | B | -0.5220 | |
| 469 | V | B | 0.0000 | |
| 470 | T | B | -0.3231 | |
| 1 | A | C | -1.5831 | |
| 2 | K | C | -2.4820 | |
| 3 | F | C | 0.0000 | |
| 4 | P | C | -2.1382 | |
| 5 | K | C | -2.8095 | |
| 6 | N | C | -2.3541 | |
| 7 | F | C | 0.0000 | |
| 8 | M | C | -0.9630 | |
| 9 | F | C | 0.0000 | |
| 10 | G | C | 0.0000 | |
| 11 | Y | C | 0.0000 | |
| 12 | S | C | 0.0000 | |
| 13 | W | C | 0.0000 | |
| 14 | S | C | 0.0000 | |
| 15 | G | C | 0.0000 | |
| 16 | F | C | 0.0000 | |
| 17 | Q | C | 0.0000 | |
| 18 | F | C | 0.0000 | |
| 19 | E | C | 0.0000 | |
| 20 | M | C | 0.0000 | |
| 21 | G | C | 0.0000 | |
| 22 | L | C | -1.0025 | |
| 23 | P | C | -1.1216 | |
| 24 | G | C | -1.0389 | |
| 25 | S | C | 0.0000 | |
| 26 | E | C | -2.5053 | |
| 27 | V | C | -1.5453 | |
| 28 | E | C | -1.7534 | |
| 29 | S | C | 0.0000 | |
| 30 | D | C | 0.0000 | |
| 31 | W | C | 0.0000 | |
| 32 | W | C | -0.3585 | |
| 33 | V | C | -0.0448 | |
| 34 | W | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | H | C | -1.2485 | |
| 37 | D | C | -1.2469 | |
| 38 | K | C | -1.8877 | |
| 39 | E | C | -0.8610 | |
| 40 | N | C | 0.0000 | |
| 41 | I | C | -0.5556 | |
| 42 | A | C | -0.3427 | |
| 43 | S | C | 0.0000 | |
| 44 | G | C | -0.5362 | |
| 45 | L | C | 0.0000 | |
| 46 | V | C | 0.0000 | |
| 47 | S | C | -0.7200 | |
| 48 | G | C | -1.3485 | |
| 49 | D | C | -2.0525 | |
| 50 | L | C | -1.5502 | |
| 51 | P | C | 0.0000 | |
| 52 | E | C | -2.8671 | |
| 53 | N | C | -2.5084 | |
| 54 | G | C | 0.0000 | |
| 55 | P | C | 0.0000 | |
| 56 | A | C | 0.0000 | |
| 57 | Y | C | 0.0000 | |
| 58 | W | C | 0.0000 | |
| 59 | H | C | -1.4047 | |
| 60 | L | C | -1.0917 | |
| 61 | Y | C | 0.0000 | |
| 62 | K | C | -2.8370 | |
| 63 | Q | C | -2.6411 | |
| 64 | D | C | 0.0000 | |
| 65 | H | C | 0.0000 | |
| 66 | D | C | -2.9817 | |
| 67 | I | C | -1.9055 | |
| 68 | A | C | 0.0000 | |
| 69 | E | C | -2.7875 | |
| 70 | K | C | -2.4870 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -1.5460 | |
| 73 | M | C | 0.0000 | |
| 74 | D | C | -0.9547 | |
| 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 | -1.1678 | |
| 88 | K | C | -1.7234 | |
| 89 | P | C | -0.8119 | |
| 90 | T | C | 0.0000 | |
| 91 | F | C | -0.4188 | |
| 92 | D | C | -1.8214 | |
| 93 | V | C | 0.0000 | |
| 94 | K | C | -2.3025 | |
| 95 | V | C | -1.8056 | |
| 96 | D | C | -3.0400 | |
| 97 | V | C | -2.1111 | |
| 98 | E | C | -2.9952 | |
| 99 | K | C | -3.7731 | |
| 100 | D | C | -4.1904 | |
| 101 | E | C | -4.0408 | |
| 102 | E | C | -3.7691 | |
| 103 | G | C | -2.9575 | |
| 104 | N | C | -2.0756 | |
| 105 | I | C | 0.0000 | |
| 106 | I | C | 0.2923 | |
| 107 | S | C | -1.0127 | |
| 108 | V | C | 0.0000 | |
| 109 | D | C | -2.9609 | |
| 110 | V | C | 0.0000 | |
| 111 | P | C | -2.3190 | |
| 112 | E | C | -2.7001 | |
| 113 | S | C | -2.1846 | |
| 114 | T | C | 0.0000 | |
| 115 | I | C | 0.0000 | |
| 116 | K | C | -3.4663 | |
| 117 | E | C | -3.4483 | |
| 118 | L | C | 0.0000 | |
| 119 | E | C | -2.6469 | |
| 120 | K | C | -2.9420 | |
| 121 | I | C | -1.8332 | |
| 122 | A | C | -1.6336 | |
| 123 | N | C | -1.4731 | |
| 124 | M | C | -1.4874 | |
| 125 | E | C | -2.4747 | |
| 126 | A | C | 0.0000 | |
| 127 | L | C | 0.0000 | |
| 128 | E | C | -3.0540 | |
| 129 | H | C | -2.3632 | |
| 130 | Y | C | 0.0000 | |
| 131 | R | C | -2.3467 | |
| 132 | K | C | -2.6710 | |
| 133 | I | C | 0.0000 | |
| 134 | Y | C | 0.0000 | |
| 135 | S | C | -1.9810 | |
| 136 | D | C | -2.3139 | |
| 137 | W | C | 0.0000 | |
| 138 | K | C | -2.7791 | |
| 139 | E | C | -2.7425 | |
| 140 | R | C | -2.3497 | |
| 141 | G | C | -1.8128 | |
| 142 | K | C | -1.7626 | |
| 143 | T | C | -1.1055 | |
| 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 | -0.0478 | |
| 151 | W | C | 0.1178 | |
| 152 | P | C | 0.0000 | |
| 153 | L | C | 0.0000 | |
| 154 | P | C | 0.0000 | |
| 155 | L | C | -0.1419 | |
| 156 | W | C | -0.2842 | |
| 157 | I | C | 0.0000 | |
| 158 | H | C | 0.0000 | |
| 159 | D | C | -0.8302 | |
| 160 | P | C | 0.0000 | |
| 161 | I | C | 0.1193 | |
| 162 | A | C | -0.3383 | |
| 163 | V | C | 0.0000 | |
| 164 | R | C | 0.0000 | |
| 165 | K | C | -0.2580 | |
| 166 | L | C | -0.4352 | |
| 167 | G | C | 0.0000 | |
| 168 | P | C | -1.6233 | |
| 169 | D | C | -2.5493 | |
| 170 | R | C | -2.2794 | |
| 171 | A | C | -1.4719 | |
| 172 | P | C | -1.1827 | |
| 173 | A | C | 0.0000 | |
| 174 | G | C | 0.0000 | |
| 175 | W | C | 0.0000 | |
| 176 | L | C | 0.0000 | |
| 177 | D | C | -2.3760 | |
| 178 | E | C | -2.5912 | |
| 179 | K | C | -1.7491 | |
| 180 | T | C | 0.0000 | |
| 181 | V | C | -0.2918 | |
| 182 | V | C | -0.3793 | |
| 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 | 0.4397 | |
| 194 | H | C | -0.0793 | |
| 195 | L | C | 0.0000 | |
| 196 | D | C | -1.5552 | |
| 197 | D | C | -2.2142 | |
| 198 | L | C | 0.0000 | |
| 199 | V | C | 0.0000 | |
| 200 | D | C | -1.6540 | |
| 201 | M | C | -0.8905 | |
| 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 | -0.2434 | |
| 208 | P | C | 0.0000 | |
| 209 | N | C | -0.7082 | |
| 210 | V | C | -0.1244 | |
| 211 | V | C | 0.0000 | |
| 212 | Y | C | -0.7301 | |
| 213 | N | C | -1.0052 | |
| 214 | Q | C | -0.7771 | |
| 215 | G | C | 0.0000 | |
| 216 | Y | C | 0.0000 | |
| 217 | I | C | -0.5782 | |
| 218 | N | C | -0.8304 | |
| 219 | L | C | 0.0000 | |
| 220 | R | C | -2.2397 | |
| 221 | S | C | -1.1361 | |
| 222 | G | C | 0.0000 | |
| 223 | F | C | 0.0000 | |
| 224 | P | C | 0.0000 | |
| 225 | P | C | 0.0000 | |
| 226 | G | C | -0.2182 | |
| 227 | Y | C | -0.1281 | |
| 228 | L | C | 0.0000 | |
| 229 | S | C | -1.0166 | |
| 230 | F | C | -1.3940 | |
| 231 | E | C | -2.6414 | |
| 232 | A | C | 0.0000 | |
| 233 | A | C | 0.0000 | |
| 234 | E | C | -3.0083 | |
| 235 | K | C | -2.6755 | |
| 236 | A | C | 0.0000 | |
| 237 | K | C | -1.4078 | |
| 238 | F | C | -0.1463 | |
| 239 | N | C | 0.0000 | |
| 240 | L | C | 0.0000 | |
| 241 | I | C | 0.3380 | |
| 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 | -0.4673 | |
| 249 | D | C | -1.1267 | |
| 250 | A | C | 0.0000 | |
| 251 | I | C | 0.0000 | |
| 252 | K | C | -2.1774 | |
| 253 | E | C | -2.0392 | |
| 254 | Y | C | -0.8837 | |
| 255 | S | C | 0.0000 | |
| 256 | E | C | -2.4342 | |
| 257 | K | C | -1.7979 | |
| 258 | S | C | -1.1104 | |
| 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 | -0.1290 | |
| 265 | F | C | 0.0000 | |
| 266 | A | C | 0.0125 | |
| 267 | W | C | 0.0000 | |
| 268 | H | C | 0.0000 | |
| 269 | D | C | -0.2943 | |
| 270 | P | C | -1.2059 | |
| 271 | L | C | 0.5449 | |
| 272 | A | C | -1.1448 | |
| 273 | E | C | -3.4656 | |
| 274 | E | C | -3.5149 | |
| 275 | Y | C | -3.1737 | |
| 276 | K | C | -4.2567 | |
| 277 | D | C | -4.6858 | |
| 278 | E | C | -4.4762 | |
| 279 | V | C | 0.0000 | |
| 280 | E | C | -4.0474 | |
| 281 | E | C | -3.9475 | |
| 282 | I | C | -2.8229 | |
| 283 | R | C | -2.9166 | |
| 284 | K | C | -3.8973 | |
| 285 | K | C | -3.7615 | |
| 286 | D | C | -2.5584 | |
| 287 | Y | C | 0.0000 | |
| 288 | E | C | -2.9867 | |
| 289 | F | C | 0.0000 | |
| 290 | V | C | 0.0000 | |
| 291 | T | C | -1.4551 | |
| 292 | I | C | -0.6510 | |
| 293 | L | C | 0.0000 | |
| 294 | H | C | -1.5096 | |
| 295 | S | C | -1.1818 | |
| 296 | K | C | -1.5556 | |
| 297 | G | C | -1.4860 | |
| 298 | K | C | -1.3212 | |
| 299 | L | C | 0.0000 | |
| 300 | D | C | -0.9233 | |
| 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 | 0.2658 | |
| 308 | S | C | 0.0000 | |
| 309 | R | C | 0.1630 | |
| 310 | L | C | 0.5723 | |
| 311 | V | C | 0.0000 | |
| 312 | Y | C | 0.0000 | |
| 313 | G | C | 0.0000 | |
| 314 | A | C | -1.3545 | |
| 315 | K | C | -2.7365 | |
| 316 | D | C | -3.0516 | |
| 317 | G | C | -2.3272 | |
| 318 | H | C | -1.9714 | |
| 319 | L | C | -0.9656 | |
| 320 | V | C | -0.3033 | |
| 321 | P | C | 0.4514 | |
| 322 | L | C | 0.5019 | |
| 323 | P | C | -0.2454 | |
| 324 | G | C | -0.4882 | |
| 325 | Y | C | -0.0381 | |
| 326 | G | C | 0.0000 | |
| 327 | F | C | 0.6680 | |
| 328 | M | C | 0.0673 | |
| 329 | S | C | -0.9858 | |
| 330 | E | C | -2.5166 | |
| 331 | R | C | -2.4928 | |
| 332 | G | C | -1.3404 | |
| 333 | G | C | -0.7759 | |
| 334 | F | C | -0.0931 | |
| 335 | A | C | 0.0000 | |
| 336 | K | C | -1.7437 | |
| 337 | S | C | -0.8219 | |
| 338 | G | C | -0.5835 | |
| 339 | R | C | -0.5176 | |
| 340 | P | C | 0.0000 | |
| 341 | A | C | 0.0000 | |
| 342 | S | C | 0.0000 | |
| 343 | D | C | -1.1487 | |
| 344 | F | C | -0.3251 | |
| 345 | G | C | 0.0000 | |
| 346 | W | C | 0.2147 | |
| 347 | E | C | 0.0000 | |
| 348 | M | C | 0.0000 | |
| 349 | Y | C | 0.0091 | |
| 350 | P | C | 0.0000 | |
| 351 | E | C | -0.9020 | |
| 352 | G | C | 0.0000 | |
| 353 | L | C | 0.0000 | |
| 354 | E | C | -1.3233 | |
| 355 | N | C | -1.0247 | |
| 356 | L | C | 0.0000 | |
| 357 | L | C | 0.0000 | |
| 358 | K | C | -2.4277 | |
| 359 | Y | C | -1.0214 | |
| 360 | L | C | 0.0000 | |
| 361 | N | C | -2.2423 | |
| 362 | N | C | -2.0251 | |
| 363 | A | C | -1.1297 | |
| 364 | Y | C | -1.1564 | |
| 365 | E | C | -2.3803 | |
| 366 | L | C | -1.2089 | |
| 367 | P | C | -0.9794 | |
| 368 | M | C | 0.0000 | |
| 369 | I | C | 0.0000 | |
| 370 | I | C | 0.0000 | |
| 371 | T | C | 0.0000 | |
| 372 | E | C | -0.1596 | |
| 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 | -0.3288 | |
| 379 | A | C | -0.0029 | |
| 380 | D | C | 0.0000 | |
| 381 | R | C | -0.4198 | |
| 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 | -1.3581 | |
| 393 | A | C | 0.0000 | |
| 394 | V | C | 0.0000 | |
| 395 | Y | C | -1.2210 | |
| 396 | N | C | -1.8674 | |
| 397 | A | C | 0.0000 | |
| 398 | M | C | -1.9644 | |
| 399 | K | C | -2.9182 | |
| 400 | E | C | -3.2372 | |
| 401 | G | C | -2.4066 | |
| 402 | A | C | 0.0000 | |
| 403 | D | C | -1.8843 | |
| 404 | V | C | 0.0000 | |
| 405 | R | C | -1.5882 | |
| 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 | 0.0000 | |
| 418 | W | C | -0.1899 | |
| 419 | A | C | -0.5494 | |
| 420 | Q | C | -1.0406 | |
| 421 | G | C | 0.0000 | |
| 422 | F | C | -0.8392 | |
| 423 | R | C | -1.7177 | |
| 424 | M | C | 0.0000 | |
| 425 | R | C | 0.0000 | |
| 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 | -1.3119 | |
| 433 | F | C | 0.0000 | |
| 434 | E | C | -2.4214 | |
| 435 | T | C | -1.7669 | |
| 436 | K | C | -1.6760 | |
| 437 | K | C | -2.3487 | |
| 438 | R | C | -1.5311 | |
| 439 | Y | C | -0.9699 | |
| 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 | -0.1595 | |
| 448 | R | C | -1.0400 | |
| 449 | E | C | -0.7787 | |
| 450 | I | C | 0.0000 | |
| 451 | A | C | 0.0000 | |
| 452 | T | C | -1.2836 | |
| 453 | Q | C | -1.7496 | |
| 454 | K | C | -1.8594 | |
| 455 | E | C | -2.1770 | |
| 456 | I | C | 0.0000 | |
| 457 | P | C | -1.7204 | |
| 458 | E | C | -2.2782 | |
| 459 | E | C | -1.8451 | |
| 460 | L | C | 0.0000 | |
| 461 | A | C | -1.3504 | |
| 462 | H | C | 0.0000 | |
| 463 | L | C | 0.0000 | |
| 464 | A | C | -1.6359 | |
| 465 | D | C | -2.3079 | |
| 466 | L | C | 0.0000 | |
| 467 | K | C | -1.9615 | |
| 468 | F | C | -0.4526 | |
| 469 | V | C | 0.0000 | |
| 470 | T | C | -0.5769 | |
| 1 | A | D | -1.3372 | |
| 2 | K | D | -2.4087 | |
| 3 | F | D | 0.0000 | |
| 4 | P | D | -1.9208 | |
| 5 | K | D | -2.7055 | |
| 6 | N | D | -2.4123 | |
| 7 | F | D | 0.0000 | |
| 8 | M | D | -1.0677 | |
| 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 | -0.0997 | |
| 16 | F | D | 0.0000 | |
| 17 | Q | D | 0.0000 | |
| 18 | F | D | 0.0000 | |
| 19 | E | D | 0.0000 | |
| 20 | M | D | 0.0000 | |
| 21 | G | D | -1.5161 | |
| 22 | L | D | -0.4751 | |
| 23 | P | D | -0.9850 | |
| 24 | G | D | -1.2331 | |
| 25 | S | D | 0.0000 | |
| 26 | E | D | -2.4834 | |
| 27 | V | D | -1.5155 | |
| 28 | E | D | -1.4708 | |
| 29 | S | D | 0.0000 | |
| 30 | D | D | 0.0000 | |
| 31 | W | D | 0.0000 | |
| 32 | W | D | 0.0422 | |
| 33 | V | D | 0.5610 | |
| 34 | W | D | 0.0000 | |
| 35 | V | D | 0.0000 | |
| 36 | H | D | -1.2160 | |
| 37 | D | D | -1.0258 | |
| 38 | K | D | -1.8095 | |
| 39 | E | D | -0.7853 | |
| 40 | N | D | 0.0000 | |
| 41 | I | D | 0.0445 | |
| 42 | A | D | -0.0687 | |
| 43 | S | D | 0.0000 | |
| 44 | G | D | -0.5086 | |
| 45 | L | D | -0.2357 | |
| 46 | V | D | 0.0000 | |
| 47 | S | D | -0.6665 | |
| 48 | G | D | -1.0775 | |
| 49 | D | D | -1.8016 | |
| 50 | L | D | -1.2470 | |
| 51 | P | D | 0.0000 | |
| 52 | E | D | -2.8147 | |
| 53 | N | D | -2.2723 | |
| 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 | -0.5485 | |
| 60 | L | D | -0.6009 | |
| 61 | Y | D | 0.0000 | |
| 62 | K | D | -2.5922 | |
| 63 | Q | D | -2.4027 | |
| 64 | D | D | 0.0000 | |
| 65 | H | D | 0.0000 | |
| 66 | D | D | -3.0934 | |
| 67 | I | D | -1.8813 | |
| 68 | A | D | 0.0000 | |
| 69 | E | D | -2.2524 | |
| 70 | K | D | -2.4416 | |
| 71 | L | D | 0.0000 | |
| 72 | G | D | -1.2929 | |
| 73 | M | D | 0.0000 | |
| 74 | D | D | -1.3454 | |
| 75 | C | D | 0.0000 | |
| 76 | I | D | 0.0000 | |
| 77 | R | D | 0.0000 | |
| 78 | G | D | 0.0000 | |
| 79 | G | D | -0.1430 | |
| 80 | I | D | 0.0000 | |
| 81 | E | D | 0.0000 | |
| 82 | W | D | 0.0000 | |
| 83 | A | D | 0.0000 | |
| 84 | R | D | 0.0000 | |
| 85 | I | D | 0.0000 | |
| 86 | F | D | 0.0000 | |
| 87 | P | D | -0.7799 | |
| 88 | K | D | -1.3505 | |
| 89 | P | D | -0.7677 | |
| 90 | T | D | 0.0000 | |
| 91 | F | D | -0.8778 | |
| 92 | D | D | -1.8695 | |
| 93 | V | D | -1.5197 | |
| 94 | K | D | -2.3584 | |
| 95 | V | D | -1.8371 | |
| 96 | D | D | -2.9612 | |
| 97 | V | D | -1.8910 | |
| 98 | E | D | -2.8122 | |
| 99 | K | D | -3.4960 | |
| 100 | D | D | -3.4065 | |
| 101 | E | D | -3.7088 | |
| 102 | E | D | -3.5635 | |
| 103 | G | D | -2.7279 | |
| 104 | N | D | -2.1264 | |
| 105 | I | D | 0.0000 | |
| 106 | I | D | 0.5224 | |
| 107 | S | D | -0.7206 | |
| 108 | V | D | -1.5483 | |
| 109 | D | D | -3.0357 | |
| 110 | V | D | 0.0000 | |
| 111 | P | D | -2.2580 | |
| 112 | E | D | -2.6445 | |
| 113 | S | D | -2.0635 | |
| 114 | T | D | -2.3293 | |
| 115 | I | D | 0.0000 | |
| 116 | K | D | -3.2634 | |
| 117 | E | D | -3.0370 | |
| 118 | L | D | 0.0000 | |
| 119 | E | D | -2.0896 | |
| 120 | K | D | -2.3360 | |
| 121 | I | D | -1.0783 | |
| 122 | A | D | 0.0000 | |
| 123 | N | D | -1.5486 | |
| 124 | M | D | -1.6718 | |
| 125 | E | D | -2.6148 | |
| 126 | A | D | 0.0000 | |
| 127 | L | D | 0.0000 | |
| 128 | E | D | -3.1868 | |
| 129 | H | D | -2.3012 | |
| 130 | Y | D | 0.0000 | |
| 131 | R | D | -2.1124 | |
| 132 | K | D | -2.5477 | |
| 133 | I | D | 0.0000 | |
| 134 | Y | D | 0.0000 | |
| 135 | S | D | -1.6300 | |
| 136 | D | D | -2.0103 | |
| 137 | W | D | 0.0000 | |
| 138 | K | D | -2.1812 | |
| 139 | E | D | -2.4907 | |
| 140 | R | D | -2.1078 | |
| 141 | G | D | -1.6821 | |
| 142 | K | D | -1.5154 | |
| 143 | T | D | -0.7217 | |
| 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 | -0.1127 | |
| 151 | W | D | 0.1307 | |
| 152 | P | D | 0.0000 | |
| 153 | L | D | 0.0000 | |
| 154 | P | D | 0.0000 | |
| 155 | L | D | 0.9362 | |
| 156 | W | D | 0.3023 | |
| 157 | I | D | 0.0000 | |
| 158 | H | D | 0.0000 | |
| 159 | D | D | -0.0464 | |
| 160 | P | D | 0.0000 | |
| 161 | I | D | -0.0779 | |
| 162 | A | D | -0.7020 | |
| 163 | V | D | 0.0000 | |
| 164 | R | D | -0.5173 | |
| 165 | K | D | -1.0978 | |
| 166 | L | D | -0.8689 | |
| 167 | G | D | 0.0000 | |
| 168 | P | D | -1.8318 | |
| 169 | D | D | -2.6338 | |
| 170 | R | D | -2.6204 | |
| 171 | A | D | -1.6209 | |
| 172 | P | D | -1.1646 | |
| 173 | A | D | 0.0000 | |
| 174 | G | D | 0.0000 | |
| 175 | W | D | 0.0000 | |
| 176 | L | D | 0.0000 | |
| 177 | D | D | -1.4969 | |
| 178 | E | D | -1.4268 | |
| 179 | K | D | -1.8404 | |
| 180 | T | D | 0.0000 | |
| 181 | V | D | 0.0000 | |
| 182 | V | D | -0.4627 | |
| 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 | -0.2562 | |
| 194 | H | D | -0.3998 | |
| 195 | L | D | 0.0000 | |
| 196 | D | D | -1.5253 | |
| 197 | D | D | -2.0368 | |
| 198 | L | D | -1.3349 | |
| 199 | V | D | 0.0000 | |
| 200 | D | D | -1.1278 | |
| 201 | M | D | -0.7539 | |
| 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 | -0.1368 | |
| 208 | P | D | 0.0000 | |
| 209 | N | D | -0.4491 | |
| 210 | V | D | -0.0254 | |
| 211 | V | D | 0.0000 | |
| 212 | Y | D | -0.7273 | |
| 213 | N | D | -0.8718 | |
| 214 | Q | D | -0.6587 | |
| 215 | G | D | 0.0000 | |
| 216 | Y | D | 0.0000 | |
| 217 | I | D | -0.5188 | |
| 218 | N | D | -0.5862 | |
| 219 | L | D | -0.3858 | |
| 220 | R | D | -1.1606 | |
| 221 | S | D | -0.4964 | |
| 222 | G | D | -0.3220 | |
| 223 | F | D | -0.0869 | |
| 224 | P | D | 0.0000 | |
| 225 | P | D | 0.0000 | |
| 226 | G | D | 0.0000 | |
| 227 | Y | D | -0.2579 | |
| 228 | L | D | 0.0000 | |
| 229 | S | D | 0.0000 | |
| 230 | F | D | -0.7813 | |
| 231 | E | D | -2.1554 | |
| 232 | A | D | 0.0000 | |
| 233 | A | D | -1.4568 | |
| 234 | E | D | -2.4823 | |
| 235 | K | D | -2.0607 | |
| 236 | A | D | 0.0000 | |
| 237 | K | D | -0.9159 | |
| 238 | F | D | -0.0314 | |
| 239 | N | D | 0.0000 | |
| 240 | L | D | 0.0000 | |
| 241 | I | D | 0.3685 | |
| 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 | 0.0000 | |
| 249 | D | D | -1.2861 | |
| 250 | A | D | 0.0000 | |
| 251 | I | D | 0.0000 | |
| 252 | K | D | -3.0706 | |
| 253 | E | D | -3.0005 | |
| 254 | Y | D | -1.9417 | |
| 255 | S | D | 0.0000 | |
| 256 | E | D | -2.8192 | |
| 257 | K | D | -2.1634 | |
| 258 | S | D | -1.3097 | |
| 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 | 0.0304 | |
| 267 | W | D | 0.0000 | |
| 268 | H | D | 0.0000 | |
| 269 | D | D | -0.3584 | |
| 270 | P | D | -1.4377 | |
| 271 | L | D | 0.3907 | |
| 272 | A | D | -1.1469 | |
| 273 | E | D | -3.1350 | |
| 274 | E | D | -3.3817 | |
| 275 | Y | D | -2.9352 | |
| 276 | K | D | -4.3489 | |
| 277 | D | D | -4.7896 | |
| 278 | E | D | -4.2123 | |
| 279 | V | D | 0.0000 | |
| 280 | E | D | -4.5217 | |
| 281 | E | D | -4.4104 | |
| 282 | I | D | -2.8766 | |
| 283 | R | D | 0.0000 | |
| 284 | K | D | -3.8783 | |
| 285 | K | D | -3.8472 | |
| 286 | D | D | -2.7790 | |
| 287 | Y | D | 0.0000 | |
| 288 | E | D | -2.5626 | |
| 289 | F | D | 0.0000 | |
| 290 | V | D | 0.0000 | |
| 291 | T | D | -1.0362 | |
| 292 | I | D | -0.2667 | |
| 293 | L | D | 0.0000 | |
| 294 | H | D | -1.2503 | |
| 295 | S | D | -0.9220 | |
| 296 | K | D | -1.5521 | |
| 297 | G | D | -1.3620 | |
| 298 | K | D | -1.1588 | |
| 299 | L | D | 0.0000 | |
| 300 | D | D | -1.0010 | |
| 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 | 0.3603 | |
| 308 | S | D | 0.0000 | |
| 309 | R | D | 0.0000 | |
| 310 | L | D | 0.6919 | |
| 311 | V | D | 0.0000 | |
| 312 | Y | D | 0.0000 | |
| 313 | G | D | 0.0000 | |
| 314 | A | D | -1.3292 | |
| 315 | K | D | -2.7433 | |
| 316 | D | D | -2.9570 | |
| 317 | G | D | -2.3873 | |
| 318 | H | D | -1.7879 | |
| 319 | L | D | -0.9394 | |
| 320 | V | D | -0.2918 | |
| 321 | P | D | 0.2273 | |
| 322 | L | D | 0.3875 | |
| 323 | P | D | -0.1934 | |
| 324 | G | D | -0.6195 | |
| 325 | Y | D | -0.1041 | |
| 326 | G | D | 0.0000 | |
| 327 | F | D | 1.0513 | |
| 328 | M | D | 0.5019 | |
| 329 | S | D | -0.7911 | |
| 330 | E | D | -2.3663 | |
| 331 | R | D | -2.2795 | |
| 332 | G | D | -1.1808 | |
| 333 | G | D | -1.0265 | |
| 334 | F | D | -0.3807 | |
| 335 | A | D | 0.0000 | |
| 336 | K | D | -1.9394 | |
| 337 | S | D | -1.0449 | |
| 338 | G | D | -1.0064 | |
| 339 | R | D | -0.7526 | |
| 340 | P | D | 0.0000 | |
| 341 | A | D | 0.0000 | |
| 342 | S | D | 0.0000 | |
| 343 | D | D | 0.0000 | |
| 344 | F | D | -0.3505 | |
| 345 | G | D | 0.0000 | |
| 346 | W | D | 0.4329 | |
| 347 | E | D | 0.0000 | |
| 348 | M | D | 0.0000 | |
| 349 | Y | D | -0.1656 | |
| 350 | P | D | -0.6422 | |
| 351 | E | D | -1.2017 | |
| 352 | G | D | 0.0000 | |
| 353 | L | D | 0.0000 | |
| 354 | E | D | -1.4769 | |
| 355 | N | D | -1.5768 | |
| 356 | L | D | 0.0000 | |
| 357 | L | D | 0.0000 | |
| 358 | K | D | -2.2343 | |
| 359 | Y | D | -1.0134 | |
| 360 | L | D | 0.0000 | |
| 361 | N | D | -2.3816 | |
| 362 | N | D | -1.8465 | |
| 363 | A | D | -1.1051 | |
| 364 | Y | D | 0.0000 | |
| 365 | E | D | -2.5889 | |
| 366 | L | D | -1.4286 | |
| 367 | P | D | -1.4691 | |
| 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 | -0.5772 | |
| 379 | A | D | 0.0000 | |
| 380 | D | D | 0.0000 | |
| 381 | R | D | -0.4085 | |
| 382 | Y | D | -0.1321 | |
| 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 | -0.8811 | |
| 393 | A | D | 0.0000 | |
| 394 | V | D | 0.0000 | |
| 395 | Y | D | -1.0963 | |
| 396 | N | D | -1.5670 | |
| 397 | A | D | 0.0000 | |
| 398 | M | D | -2.1251 | |
| 399 | K | D | -2.9225 | |
| 400 | E | D | -3.1573 | |
| 401 | G | D | -2.7714 | |
| 402 | A | D | 0.0000 | |
| 403 | D | D | -2.9547 | |
| 404 | V | D | 0.0000 | |
| 405 | R | D | -1.7430 | |
| 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 | -0.8115 | |
| 418 | W | D | 0.0000 | |
| 419 | A | D | -0.7490 | |
| 420 | Q | D | -1.4985 | |
| 421 | G | D | -1.1347 | |
| 422 | F | D | -0.9465 | |
| 423 | R | D | -1.9245 | |
| 424 | M | D | 0.0000 | |
| 425 | R | D | -0.7063 | |
| 426 | F | D | 0.0000 | |
| 427 | G | D | 0.0000 | |
| 428 | L | D | 0.0000 | |
| 429 | V | D | 0.0000 | |
| 430 | Y | D | -0.3160 | |
| 431 | V | D | 0.0000 | |
| 432 | D | D | -1.4252 | |
| 433 | F | D | -1.4742 | |
| 434 | E | D | -2.3847 | |
| 435 | T | D | -1.4512 | |
| 436 | K | D | 0.0000 | |
| 437 | K | D | -2.1702 | |
| 438 | R | D | -1.2015 | |
| 439 | Y | D | -1.0041 | |
| 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 | -0.8593 | |
| 449 | E | D | -0.5443 | |
| 450 | I | D | 0.0000 | |
| 451 | A | D | 0.0000 | |
| 452 | T | D | -1.0504 | |
| 453 | Q | D | -1.2808 | |
| 454 | K | D | -1.7342 | |
| 455 | E | D | -1.8931 | |
| 456 | I | D | 0.0000 | |
| 457 | P | D | 0.0000 | |
| 458 | E | D | -2.4225 | |
| 459 | E | D | -1.8371 | |
| 460 | L | D | 0.0000 | |
| 461 | A | D | -1.0689 | |
| 462 | H | D | -0.8063 | |
| 463 | L | D | 0.0000 | |
| 464 | A | D | 0.0000 | |
| 465 | D | D | -1.1176 | |
| 466 | L | D | 0.0000 | |
| 467 | K | D | -1.7887 | |
| 468 | F | D | -0.5883 | |
| 469 | V | D | 0.0000 | |
| 470 | T | D | -0.6443 |
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 | -0.6301 | 3.0176 | View | CSV | PDB |
| 4.5 | -0.7073 | 2.8605 | View | CSV | PDB |
| 5.0 | -0.8046 | 2.7165 | View | CSV | PDB |
| 5.5 | -0.9037 | 2.6789 | View | CSV | PDB |
| 6.0 | -0.9838 | 2.6701 | View | CSV | PDB |
| 6.5 | -1.0292 | 2.6612 | View | CSV | PDB |
| 7.0 | -1.0368 | 2.6523 | View | CSV | PDB |
| 7.5 | -1.0172 | 2.6435 | View | CSV | PDB |
| 8.0 | -0.9826 | 2.6351 | View | CSV | PDB |
| 8.5 | -0.9383 | 2.6276 | View | CSV | PDB |
| 9.0 | -0.8851 | 2.6219 | 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