| Chain sequence(s) |
A: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR
C: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR B: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR D: AKFPKNFMFGYSWSGFQFEMGLPGSEVESDWWVWVHDKENIASGLVSGDLPENGPAYWHLYKQDHDIAEKLGMDCIRGGIEWARIFPKPTFDVKVDVEKDEEGNIISVDVPESTIKELEKIANMEALEHYRKIYSDWKERGKTFILNLYHWPLPLWIHDPIAVRKLGPDRAPAGWLDEKTVVEFVKFAAFVAYHLDDLVDMWSTMNEPNVVYNQGYINLRSGFPPGYLSFEAAEKAKFNLIQAHIGAYDAIKEYSEKSVGVIYAFAWHDPLAEEYKDEVEEIRKKDYEFVTILHSKGKLDWIGVNYYSRLVYGAKDGHLVPLPGYGFMSERGGFAKSGRPASDFGWEMYPEGLENLLKYLNNAYELPMIITENGMADAADRYRPHYLVSHLKAVYNAMKEGADVRGYLHWSLTDNYEWAQGFRMRFGLVYVDFETKKRYLRPSALVFREIATQKEIPEELAHLADLKFVTR input PDB |
| Selected Chain(s) | A,C,B,D |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:01)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:01)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:01)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:01)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:11)
[INFO] FoldX: Starting FoldX energy minimization (00:00:12)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:53:05)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/1b6b45bcfcfc9b3/tmp/folded.pdb (00:53:05)
[INFO] Main: Simulation completed successfully. (01:39:13)
|
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 | -1.2169 | |
| 2 | K | A | -2.3864 | |
| 3 | F | A | 0.0000 | |
| 4 | P | A | -2.0648 | |
| 5 | K | A | -2.8854 | |
| 6 | N | A | -2.4990 | |
| 7 | F | A | 0.0000 | |
| 8 | M | A | 0.0000 | |
| 9 | F | A | 0.0000 | |
| 10 | G | A | 0.0000 | |
| 11 | Y | A | 0.0000 | |
| 12 | S | A | 0.0000 | |
| 13 | W | A | 0.0000 | |
| 14 | S | A | 0.0000 | |
| 15 | G | A | 0.0000 | |
| 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 | -0.7303 | |
| 23 | P | A | -0.8840 | |
| 24 | G | A | -1.0151 | |
| 25 | S | A | 0.0000 | |
| 26 | E | A | -1.8501 | |
| 27 | V | A | -1.3160 | |
| 28 | E | A | -1.7589 | |
| 29 | S | A | 0.0000 | |
| 30 | D | A | 0.0000 | |
| 31 | W | A | 0.0000 | |
| 32 | W | A | -0.5223 | |
| 33 | V | A | -0.2199 | |
| 34 | W | A | 0.0000 | |
| 35 | V | A | 0.0000 | |
| 36 | H | A | -0.6885 | |
| 37 | D | A | -0.8696 | |
| 38 | K | A | -1.4612 | |
| 39 | E | A | -0.7769 | |
| 40 | N | A | 0.0000 | |
| 41 | I | A | 0.5415 | |
| 42 | A | A | 0.1641 | |
| 43 | S | A | 0.0000 | |
| 44 | G | A | -0.1272 | |
| 45 | L | A | -0.0556 | |
| 46 | V | A | 0.0000 | |
| 47 | S | A | -0.3961 | |
| 48 | G | A | -0.3931 | |
| 49 | D | A | -1.0727 | |
| 50 | L | A | -0.6693 | |
| 51 | P | A | 0.0000 | |
| 52 | E | A | -1.6671 | |
| 53 | N | A | -1.8481 | |
| 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 | -0.7510 | |
| 60 | L | A | -0.6230 | |
| 61 | Y | A | 0.0000 | |
| 62 | K | A | -2.1773 | |
| 63 | Q | A | -1.9182 | |
| 64 | D | A | 0.0000 | |
| 65 | H | A | 0.0000 | |
| 66 | D | A | -2.3804 | |
| 67 | I | A | 0.0000 | |
| 68 | A | A | 0.0000 | |
| 69 | E | A | -1.7875 | |
| 70 | K | A | -1.9047 | |
| 71 | L | A | 0.0000 | |
| 72 | G | A | -1.3624 | |
| 73 | M | A | 0.0000 | |
| 74 | D | A | -1.1121 | |
| 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 | -1.1715 | |
| 88 | K | A | -1.5547 | |
| 89 | P | A | -0.8227 | |
| 90 | T | A | 0.0000 | |
| 91 | F | A | -0.7176 | |
| 92 | D | A | -1.7577 | |
| 93 | V | A | -1.3652 | |
| 94 | K | A | -2.1933 | |
| 95 | V | A | 0.0000 | |
| 96 | D | A | -3.2937 | |
| 97 | V | A | -2.0735 | |
| 98 | E | A | -2.5390 | |
| 99 | K | A | -2.6915 | |
| 100 | D | A | -3.1551 | |
| 101 | E | A | -3.5702 | |
| 102 | E | A | -3.4208 | |
| 103 | G | A | -2.7753 | |
| 104 | N | A | -1.6256 | |
| 105 | I | A | 0.0000 | |
| 106 | I | A | 0.5761 | |
| 107 | S | A | -0.9450 | |
| 108 | V | A | 0.0000 | |
| 109 | D | A | -3.0789 | |
| 110 | V | A | 0.0000 | |
| 111 | P | A | -2.2236 | |
| 112 | E | A | -2.2556 | |
| 113 | S | A | -2.0899 | |
| 114 | T | A | -2.1896 | |
| 115 | I | A | 0.0000 | |
| 116 | K | A | -3.4818 | |
| 117 | E | A | -3.4883 | |
| 118 | L | A | 0.0000 | |
| 119 | E | A | -2.4264 | |
| 120 | K | A | -2.6350 | |
| 121 | I | A | -1.6865 | |
| 122 | A | A | -1.5142 | |
| 123 | N | A | -1.5625 | |
| 124 | M | A | -1.6696 | |
| 125 | E | A | -2.5849 | |
| 126 | A | A | 0.0000 | |
| 127 | L | A | 0.0000 | |
| 128 | E | A | -3.2497 | |
| 129 | H | A | -2.4366 | |
| 130 | Y | A | 0.0000 | |
| 131 | R | A | -2.5711 | |
| 132 | K | A | -2.8024 | |
| 133 | I | A | 0.0000 | |
| 134 | Y | A | 0.0000 | |
| 135 | S | A | -2.2085 | |
| 136 | D | A | 0.0000 | |
| 137 | W | A | 0.0000 | |
| 138 | K | A | -2.5308 | |
| 139 | E | A | -2.8175 | |
| 140 | R | A | -2.1636 | |
| 141 | G | A | -1.8691 | |
| 142 | K | A | -1.4106 | |
| 143 | T | A | -0.7876 | |
| 144 | F | A | 0.0000 | |
| 145 | I | A | 0.0000 | |
| 146 | L | A | 0.0000 | |
| 147 | N | A | 0.0000 | |
| 148 | L | A | 0.0000 | |
| 149 | Y | A | 0.0000 | |
| 150 | H | A | 0.0000 | |
| 151 | W | A | 0.1630 | |
| 152 | P | A | 0.0000 | |
| 153 | L | A | 0.0000 | |
| 154 | P | A | 0.0000 | |
| 155 | L | A | 0.0143 | |
| 156 | W | A | 0.0890 | |
| 157 | I | A | 0.0000 | |
| 158 | H | A | 0.0000 | |
| 159 | D | A | -0.0320 | |
| 160 | P | A | 0.0000 | |
| 161 | I | A | 0.0843 | |
| 162 | A | A | 0.0000 | |
| 163 | V | A | 0.0000 | |
| 164 | R | A | -0.6061 | |
| 165 | K | A | -1.2515 | |
| 166 | L | A | -0.5955 | |
| 167 | G | A | 0.0000 | |
| 168 | P | A | -1.6390 | |
| 169 | D | A | -2.5179 | |
| 170 | R | A | -2.6305 | |
| 171 | A | A | -1.5125 | |
| 172 | P | A | -0.9929 | |
| 173 | A | A | 0.0000 | |
| 174 | G | A | 0.0000 | |
| 175 | W | A | 0.0000 | |
| 176 | L | A | 0.0000 | |
| 177 | D | A | -2.2843 | |
| 178 | E | A | -3.0261 | |
| 179 | K | A | -2.3737 | |
| 180 | T | A | 0.0000 | |
| 181 | V | A | 0.0000 | |
| 182 | V | A | -1.0489 | |
| 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 | -0.6972 | |
| 194 | H | A | -0.8553 | |
| 195 | L | A | 0.0000 | |
| 196 | D | A | -1.5104 | |
| 197 | D | A | -2.1701 | |
| 198 | L | A | 0.0000 | |
| 199 | V | A | 0.0000 | |
| 200 | D | A | -0.9741 | |
| 201 | M | A | -0.4075 | |
| 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 | -0.0541 | |
| 208 | P | A | 0.0000 | |
| 209 | N | A | 0.0000 | |
| 210 | V | A | 0.0838 | |
| 211 | V | A | 0.0000 | |
| 212 | Y | A | -0.4974 | |
| 213 | N | A | -0.6075 | |
| 214 | Q | A | -0.5386 | |
| 215 | G | A | 0.0000 | |
| 216 | Y | A | 0.0000 | |
| 217 | I | A | -0.2882 | |
| 218 | N | A | -0.3304 | |
| 219 | L | A | 0.0000 | |
| 220 | R | A | -0.9442 | |
| 221 | S | A | -0.4012 | |
| 222 | G | A | 0.0000 | |
| 223 | F | A | 0.0564 | |
| 224 | P | A | 0.0473 | |
| 225 | P | A | 0.0000 | |
| 226 | G | A | 0.0000 | |
| 227 | Y | A | -0.0097 | |
| 228 | L | A | 0.0000 | |
| 229 | S | A | 0.0000 | |
| 230 | F | A | -0.8102 | |
| 231 | E | A | -2.2054 | |
| 232 | A | A | 0.0000 | |
| 233 | A | A | 0.0000 | |
| 234 | E | A | -2.6766 | |
| 235 | K | A | -2.4822 | |
| 236 | A | A | 0.0000 | |
| 237 | K | A | -1.1649 | |
| 238 | F | A | -0.9016 | |
| 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 | -0.7030 | |
| 249 | D | A | -1.4253 | |
| 250 | A | A | 0.0000 | |
| 251 | I | A | 0.0000 | |
| 252 | K | A | -1.9057 | |
| 253 | E | A | -2.2928 | |
| 254 | Y | A | -1.2471 | |
| 255 | S | A | 0.0000 | |
| 256 | E | A | -2.4130 | |
| 257 | K | A | -1.5498 | |
| 258 | S | A | -0.9306 | |
| 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 | -0.0301 | |
| 265 | F | A | 0.0000 | |
| 266 | A | A | -0.0216 | |
| 267 | W | A | 0.0000 | |
| 268 | H | A | 0.0000 | |
| 269 | D | A | -0.5210 | |
| 270 | P | A | -1.2749 | |
| 271 | L | A | 0.5854 | |
| 272 | A | A | -1.0202 | |
| 273 | E | A | -3.3903 | |
| 274 | E | A | -3.4540 | |
| 275 | Y | A | -3.0898 | |
| 276 | K | A | -4.4748 | |
| 277 | D | A | -4.5321 | |
| 278 | E | A | -4.4057 | |
| 279 | V | A | 0.0000 | |
| 280 | E | A | -3.7174 | |
| 281 | E | A | -4.0959 | |
| 282 | I | A | -2.8158 | |
| 283 | R | A | 0.0000 | |
| 284 | K | A | -3.7623 | |
| 285 | K | A | -3.5746 | |
| 286 | D | A | -2.4563 | |
| 287 | Y | A | 0.0000 | |
| 288 | E | A | -2.6344 | |
| 289 | F | A | 0.0000 | |
| 290 | V | A | 0.0000 | |
| 291 | T | A | -1.0663 | |
| 292 | I | A | -0.2136 | |
| 293 | L | A | 0.0000 | |
| 294 | H | A | -1.0894 | |
| 295 | S | A | -0.8639 | |
| 296 | K | A | -1.3459 | |
| 297 | G | A | -1.2909 | |
| 298 | K | A | -1.1174 | |
| 299 | L | A | 0.0000 | |
| 300 | D | A | -0.6958 | |
| 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 | 0.2834 | |
| 308 | S | A | 0.0000 | |
| 309 | R | A | 0.0530 | |
| 310 | L | A | 0.6676 | |
| 311 | V | A | 0.0000 | |
| 312 | Y | A | 0.0000 | |
| 313 | G | A | 0.1307 | |
| 314 | A | A | -1.1020 | |
| 315 | K | A | -2.6040 | |
| 316 | D | A | -2.8317 | |
| 317 | G | A | -2.0744 | |
| 318 | H | A | -1.7111 | |
| 319 | L | A | -0.2773 | |
| 320 | V | A | 1.1856 | |
| 321 | P | A | 1.2721 | |
| 322 | L | A | 1.0800 | |
| 323 | P | A | -0.0960 | |
| 324 | G | A | -0.6490 | |
| 325 | Y | A | -0.0687 | |
| 326 | G | A | 0.0000 | |
| 327 | F | A | 0.6310 | |
| 328 | M | A | 0.1818 | |
| 329 | S | A | -1.0175 | |
| 330 | E | A | -2.5484 | |
| 331 | R | A | -2.5900 | |
| 332 | G | A | -1.5215 | |
| 333 | G | A | -1.2922 | |
| 334 | F | A | -0.7980 | |
| 335 | A | A | 0.0000 | |
| 336 | K | A | -2.0582 | |
| 337 | S | A | -0.9011 | |
| 338 | G | A | -1.1383 | |
| 339 | R | A | -0.8200 | |
| 340 | P | A | 0.0000 | |
| 341 | A | A | 0.0000 | |
| 342 | S | A | 0.0000 | |
| 343 | D | A | -1.4287 | |
| 344 | F | A | -0.4188 | |
| 345 | G | A | 0.0000 | |
| 346 | W | A | 0.1409 | |
| 347 | E | A | 0.0000 | |
| 348 | M | A | 0.0000 | |
| 349 | Y | A | -0.0549 | |
| 350 | P | A | 0.0000 | |
| 351 | E | A | -0.9918 | |
| 352 | G | A | 0.0000 | |
| 353 | L | A | 0.0000 | |
| 354 | E | A | -1.1022 | |
| 355 | N | A | -1.1134 | |
| 356 | L | A | 0.0000 | |
| 357 | L | A | 0.0000 | |
| 358 | K | A | -1.9977 | |
| 359 | Y | A | -0.9100 | |
| 360 | L | A | 0.0000 | |
| 361 | N | A | -2.0982 | |
| 362 | N | A | -1.9450 | |
| 363 | A | A | -1.0788 | |
| 364 | Y | A | 0.0000 | |
| 365 | E | A | -2.4129 | |
| 366 | L | A | -1.3169 | |
| 367 | P | A | -1.1878 | |
| 368 | M | A | 0.0000 | |
| 369 | I | A | 0.0000 | |
| 370 | I | A | 0.0000 | |
| 371 | T | A | 0.0000 | |
| 372 | E | A | -0.1430 | |
| 373 | N | A | 0.0000 | |
| 374 | G | A | 0.0000 | |
| 375 | M | A | 0.0000 | |
| 376 | A | A | 0.0000 | |
| 377 | D | A | -0.5223 | |
| 378 | A | A | -0.3539 | |
| 379 | A | A | -0.0371 | |
| 380 | D | A | 0.0000 | |
| 381 | R | A | -0.3439 | |
| 382 | Y | A | 0.0000 | |
| 383 | R | A | 0.0000 | |
| 384 | P | A | 0.0000 | |
| 385 | H | A | 0.0000 | |
| 386 | Y | A | 0.0000 | |
| 387 | L | A | 0.0000 | |
| 388 | V | A | 0.0000 | |
| 389 | S | A | 0.0000 | |
| 390 | H | A | 0.0000 | |
| 391 | L | A | 0.0000 | |
| 392 | K | A | -0.7845 | |
| 393 | A | A | 0.0000 | |
| 394 | V | A | 0.0000 | |
| 395 | Y | A | -0.8440 | |
| 396 | N | A | -1.5491 | |
| 397 | A | A | 0.0000 | |
| 398 | M | A | -1.6762 | |
| 399 | K | A | -2.7931 | |
| 400 | E | A | -3.0572 | |
| 401 | G | A | -2.5045 | |
| 402 | A | A | 0.0000 | |
| 403 | D | A | -2.2909 | |
| 404 | V | A | 0.0000 | |
| 405 | R | A | -1.8551 | |
| 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 | -0.5288 | |
| 418 | W | A | 0.0000 | |
| 419 | A | A | -0.4174 | |
| 420 | Q | A | -0.8106 | |
| 421 | G | A | 0.0000 | |
| 422 | F | A | -1.0049 | |
| 423 | R | A | -1.9596 | |
| 424 | M | A | 0.0000 | |
| 425 | R | A | -0.6486 | |
| 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 | -1.6459 | |
| 433 | F | A | 0.0000 | |
| 434 | E | A | -2.5090 | |
| 435 | T | A | -1.6644 | |
| 436 | K | A | -1.7884 | |
| 437 | K | A | -2.5088 | |
| 438 | R | A | 0.0000 | |
| 439 | Y | A | -1.2001 | |
| 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 | -0.3415 | |
| 446 | V | A | 0.0000 | |
| 447 | F | A | 0.0000 | |
| 448 | R | A | -1.5898 | |
| 449 | E | A | -0.9968 | |
| 450 | I | A | 0.0000 | |
| 451 | A | A | 0.0000 | |
| 452 | T | A | -1.3308 | |
| 453 | Q | A | -1.5352 | |
| 454 | K | A | -1.9357 | |
| 455 | E | A | -1.8978 | |
| 456 | I | A | 0.0000 | |
| 457 | P | A | 0.0000 | |
| 458 | E | A | -2.3391 | |
| 459 | E | A | -1.5434 | |
| 460 | L | A | 0.0000 | |
| 461 | A | A | -1.2900 | |
| 462 | H | A | -1.4674 | |
| 463 | L | A | -0.7880 | |
| 464 | A | A | -1.0689 | |
| 465 | D | A | -1.7513 | |
| 466 | L | A | 0.0000 | |
| 467 | K | A | -1.7510 | |
| 468 | F | A | -0.4489 | |
| 469 | V | A | 0.0000 | |
| 470 | T | A | -0.8981 | |
| 471 | R | A | -1.3829 | |
| 1 | A | B | -1.3139 | |
| 2 | K | B | -2.5141 | |
| 3 | F | B | 0.0000 | |
| 4 | P | B | -2.3908 | |
| 5 | K | B | -2.8518 | |
| 6 | N | B | -2.4768 | |
| 7 | F | B | 0.0000 | |
| 8 | M | B | -1.0760 | |
| 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 | -0.0234 | |
| 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 | -0.2596 | |
| 23 | P | B | -0.7770 | |
| 24 | G | B | -1.1284 | |
| 25 | S | B | 0.0000 | |
| 26 | E | B | -2.2985 | |
| 27 | V | B | -1.5825 | |
| 28 | E | B | -1.8960 | |
| 29 | S | B | 0.0000 | |
| 30 | D | B | 0.0000 | |
| 31 | W | B | 0.0000 | |
| 32 | W | B | -0.4204 | |
| 33 | V | B | 0.0057 | |
| 34 | W | B | 0.0000 | |
| 35 | V | B | 0.0000 | |
| 36 | H | B | -0.7917 | |
| 37 | D | B | -1.1056 | |
| 38 | K | B | -1.7094 | |
| 39 | E | B | -0.7968 | |
| 40 | N | B | 0.0000 | |
| 41 | I | B | 0.0403 | |
| 42 | A | B | -0.0852 | |
| 43 | S | B | 0.0000 | |
| 44 | G | B | -0.2948 | |
| 45 | L | B | 0.0000 | |
| 46 | V | B | 0.0000 | |
| 47 | S | B | -0.5126 | |
| 48 | G | B | -0.5399 | |
| 49 | D | B | -0.4269 | |
| 50 | L | B | 0.5903 | |
| 51 | P | B | 0.0000 | |
| 52 | E | B | -0.5645 | |
| 53 | N | B | -0.4737 | |
| 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 | -0.6856 | |
| 60 | L | B | -0.4188 | |
| 61 | Y | B | 0.0000 | |
| 62 | K | B | -2.0554 | |
| 63 | Q | B | -1.9812 | |
| 64 | D | B | 0.0000 | |
| 65 | H | B | 0.0000 | |
| 66 | D | B | -2.5837 | |
| 67 | I | B | -1.4819 | |
| 68 | A | B | 0.0000 | |
| 69 | E | B | -2.8372 | |
| 70 | K | B | -2.1726 | |
| 71 | L | B | 0.0000 | |
| 72 | G | B | -1.6831 | |
| 73 | M | B | 0.0000 | |
| 74 | D | B | -2.0968 | |
| 75 | C | B | 0.0000 | |
| 76 | I | B | 0.0000 | |
| 77 | R | B | 0.0000 | |
| 78 | G | B | 0.0000 | |
| 79 | G | B | 0.0000 | |
| 80 | I | B | 0.0000 | |
| 81 | E | B | 0.0000 | |
| 82 | W | B | 0.0000 | |
| 83 | A | B | 0.0000 | |
| 84 | R | B | 0.0000 | |
| 85 | I | B | 0.0000 | |
| 86 | F | B | 0.0000 | |
| 87 | P | B | -1.3509 | |
| 88 | K | B | -1.7241 | |
| 89 | P | B | -1.0010 | |
| 90 | T | B | 0.0000 | |
| 91 | F | B | -0.8306 | |
| 92 | D | B | -1.9577 | |
| 93 | V | B | 0.0000 | |
| 94 | K | B | -2.3511 | |
| 95 | V | B | -1.9679 | |
| 96 | D | B | -2.9599 | |
| 97 | V | B | -1.8382 | |
| 98 | E | B | -2.4487 | |
| 99 | K | B | -2.5645 | |
| 100 | D | B | -3.0041 | |
| 101 | E | B | -3.4567 | |
| 102 | E | B | -3.3023 | |
| 103 | G | B | -2.4882 | |
| 104 | N | B | -1.6336 | |
| 105 | I | B | 0.0000 | |
| 106 | I | B | 0.8688 | |
| 107 | S | B | -0.5309 | |
| 108 | V | B | -1.6428 | |
| 109 | D | B | -2.8255 | |
| 110 | V | B | 0.0000 | |
| 111 | P | B | -2.1601 | |
| 112 | E | B | -2.3997 | |
| 113 | S | B | -2.2756 | |
| 114 | T | B | 0.0000 | |
| 115 | I | B | 0.0000 | |
| 116 | K | B | -3.4087 | |
| 117 | E | B | -3.2434 | |
| 118 | L | B | 0.0000 | |
| 119 | E | B | -2.9097 | |
| 120 | K | B | -2.8283 | |
| 121 | I | B | -1.8041 | |
| 122 | A | B | -1.6833 | |
| 123 | N | B | -1.5963 | |
| 124 | M | B | -1.5950 | |
| 125 | E | B | -2.4682 | |
| 126 | A | B | 0.0000 | |
| 127 | L | B | 0.0000 | |
| 128 | E | B | -3.0551 | |
| 129 | H | B | -2.3478 | |
| 130 | Y | B | 0.0000 | |
| 131 | R | B | -2.3058 | |
| 132 | K | B | -2.7350 | |
| 133 | I | B | 0.0000 | |
| 134 | Y | B | 0.0000 | |
| 135 | S | B | -2.1850 | |
| 136 | D | B | 0.0000 | |
| 137 | W | B | 0.0000 | |
| 138 | K | B | -3.1979 | |
| 139 | E | B | -3.0577 | |
| 140 | R | B | -2.7682 | |
| 141 | G | B | -2.3195 | |
| 142 | K | B | -2.3412 | |
| 143 | T | B | -1.3053 | |
| 144 | F | B | 0.0000 | |
| 145 | I | B | 0.0000 | |
| 146 | L | B | 0.0000 | |
| 147 | N | B | 0.0000 | |
| 148 | L | B | 0.0000 | |
| 149 | Y | B | 0.0000 | |
| 150 | H | B | 0.0000 | |
| 151 | W | B | 0.1971 | |
| 152 | P | B | 0.0000 | |
| 153 | L | B | 0.0000 | |
| 154 | P | B | 0.0000 | |
| 155 | L | B | -0.3944 | |
| 156 | W | B | -0.3553 | |
| 157 | I | B | 0.0000 | |
| 158 | H | B | 0.0000 | |
| 159 | D | B | -0.1263 | |
| 160 | P | B | 0.0000 | |
| 161 | I | B | 0.1102 | |
| 162 | A | B | -0.5399 | |
| 163 | V | B | 0.0000 | |
| 164 | R | B | 0.0000 | |
| 165 | K | B | -0.6925 | |
| 166 | L | B | -0.6337 | |
| 167 | G | B | -0.9701 | |
| 168 | P | B | -1.5261 | |
| 169 | D | B | -2.2707 | |
| 170 | R | B | -2.0805 | |
| 171 | A | B | -1.2004 | |
| 172 | P | B | -0.7662 | |
| 173 | A | B | -1.0727 | |
| 174 | G | B | 0.0000 | |
| 175 | W | B | 0.0000 | |
| 176 | L | B | -1.3252 | |
| 177 | D | B | -2.0949 | |
| 178 | E | B | -2.3836 | |
| 179 | K | B | -1.9854 | |
| 180 | T | B | 0.0000 | |
| 181 | V | B | 0.0000 | |
| 182 | V | B | -0.9425 | |
| 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 | -0.0598 | |
| 194 | H | B | -0.4537 | |
| 195 | L | B | 0.0000 | |
| 196 | D | B | -1.5266 | |
| 197 | D | B | -2.1731 | |
| 198 | L | B | 0.0000 | |
| 199 | V | B | 0.0000 | |
| 200 | D | B | -1.8177 | |
| 201 | M | B | -0.6170 | |
| 202 | W | B | 0.0000 | |
| 203 | S | B | 0.0000 | |
| 204 | T | B | 0.0000 | |
| 205 | M | B | 0.0000 | |
| 206 | N | B | -0.1550 | |
| 207 | E | B | -0.1338 | |
| 208 | P | B | 0.0000 | |
| 209 | N | B | -0.4675 | |
| 210 | V | B | 0.0148 | |
| 211 | V | B | 0.1236 | |
| 212 | Y | B | -0.4626 | |
| 213 | N | B | -0.5073 | |
| 214 | Q | B | -0.5909 | |
| 215 | G | B | 0.0000 | |
| 216 | Y | B | 0.0000 | |
| 217 | I | B | -0.3649 | |
| 218 | N | B | -0.9700 | |
| 219 | L | B | 0.0000 | |
| 220 | R | B | -2.0266 | |
| 221 | S | B | -1.1180 | |
| 222 | G | B | 0.0000 | |
| 223 | F | B | -0.1712 | |
| 224 | P | B | 0.1685 | |
| 225 | P | B | 0.0000 | |
| 226 | G | B | 0.0000 | |
| 227 | Y | B | -0.1797 | |
| 228 | L | B | 0.0000 | |
| 229 | S | B | 0.0000 | |
| 230 | F | B | -0.7654 | |
| 231 | E | B | -2.1105 | |
| 232 | A | B | 0.0000 | |
| 233 | A | B | -1.3215 | |
| 234 | E | B | -2.4607 | |
| 235 | K | B | -1.9578 | |
| 236 | A | B | 0.0000 | |
| 237 | K | B | -0.9579 | |
| 238 | F | B | -0.6562 | |
| 239 | N | B | 0.0000 | |
| 240 | L | B | 0.0000 | |
| 241 | I | B | 0.0000 | |
| 242 | Q | B | 0.0000 | |
| 243 | A | B | 0.0000 | |
| 244 | H | B | 0.0000 | |
| 245 | I | B | 0.1003 | |
| 246 | G | B | 0.0000 | |
| 247 | A | B | 0.0000 | |
| 248 | Y | B | -0.6094 | |
| 249 | D | B | -1.4912 | |
| 250 | A | B | 0.0000 | |
| 251 | I | B | 0.0000 | |
| 252 | K | B | -2.3356 | |
| 253 | E | B | -2.6342 | |
| 254 | Y | B | -1.3053 | |
| 255 | S | B | -1.8235 | |
| 256 | E | B | -2.6630 | |
| 257 | K | B | -1.7404 | |
| 258 | S | B | -1.0224 | |
| 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 | -0.1302 | |
| 265 | F | B | 0.0000 | |
| 266 | A | B | -0.0385 | |
| 267 | W | B | -0.1919 | |
| 268 | H | B | 0.0000 | |
| 269 | D | B | -0.4791 | |
| 270 | P | B | -1.0648 | |
| 271 | L | B | 0.6537 | |
| 272 | A | B | -0.9923 | |
| 273 | E | B | -3.3194 | |
| 274 | E | B | -3.3394 | |
| 275 | Y | B | -2.8966 | |
| 276 | K | B | -4.4652 | |
| 277 | D | B | -4.8756 | |
| 278 | E | B | -4.5476 | |
| 279 | V | B | 0.0000 | |
| 280 | E | B | -4.7001 | |
| 281 | E | B | -4.7450 | |
| 282 | I | B | -3.2953 | |
| 283 | R | B | -3.4461 | |
| 284 | K | B | -4.0299 | |
| 285 | K | B | -3.8962 | |
| 286 | D | B | -2.7102 | |
| 287 | Y | B | 0.0000 | |
| 288 | E | B | -2.3237 | |
| 289 | F | B | 0.0000 | |
| 290 | V | B | 0.0000 | |
| 291 | T | B | -1.2365 | |
| 292 | I | B | -0.4490 | |
| 293 | L | B | 0.0000 | |
| 294 | H | B | -1.4212 | |
| 295 | S | B | -1.1485 | |
| 296 | K | B | -1.9162 | |
| 297 | G | B | -1.5277 | |
| 298 | K | B | -1.1566 | |
| 299 | L | B | 0.0000 | |
| 300 | D | B | -0.6242 | |
| 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 | 0.2811 | |
| 308 | S | B | 0.0000 | |
| 309 | R | B | 0.1482 | |
| 310 | L | B | 0.5157 | |
| 311 | V | B | 0.0000 | |
| 312 | Y | B | 0.0000 | |
| 313 | G | B | 0.0000 | |
| 314 | A | B | -0.9964 | |
| 315 | K | B | -2.7920 | |
| 316 | D | B | -3.0236 | |
| 317 | G | B | -2.1996 | |
| 318 | H | B | -2.1526 | |
| 319 | L | B | -0.7066 | |
| 320 | V | B | -0.0699 | |
| 321 | P | B | 0.4710 | |
| 322 | L | B | 0.5382 | |
| 323 | P | B | -0.2427 | |
| 324 | G | B | 0.0000 | |
| 325 | Y | B | -0.0563 | |
| 326 | G | B | 0.0000 | |
| 327 | F | B | 0.5981 | |
| 328 | M | B | 0.1354 | |
| 329 | S | B | 0.0000 | |
| 330 | E | B | -2.4414 | |
| 331 | R | B | -2.4620 | |
| 332 | G | B | -1.2778 | |
| 333 | G | B | -1.2932 | |
| 334 | F | B | -1.1534 | |
| 335 | A | B | -1.3597 | |
| 336 | K | B | -1.7295 | |
| 337 | S | B | -1.2275 | |
| 338 | G | B | -1.3545 | |
| 339 | R | B | -0.8942 | |
| 340 | P | B | 0.0000 | |
| 341 | A | B | 0.0000 | |
| 342 | S | B | 0.0000 | |
| 343 | D | B | 0.0000 | |
| 344 | F | B | -0.4331 | |
| 345 | G | B | 0.0000 | |
| 346 | W | B | 0.2080 | |
| 347 | E | B | 0.0000 | |
| 348 | M | B | 0.0000 | |
| 349 | Y | B | -0.0700 | |
| 350 | P | B | 0.0000 | |
| 351 | E | B | -1.0196 | |
| 352 | G | B | 0.0000 | |
| 353 | L | B | 0.0000 | |
| 354 | E | B | -1.2720 | |
| 355 | N | B | -1.1618 | |
| 356 | L | B | 0.0000 | |
| 357 | L | B | 0.0000 | |
| 358 | K | B | -1.6577 | |
| 359 | Y | B | -0.5395 | |
| 360 | L | B | 0.0000 | |
| 361 | N | B | -1.9895 | |
| 362 | N | B | -1.8578 | |
| 363 | A | B | -1.0103 | |
| 364 | Y | B | 0.0000 | |
| 365 | E | B | -2.4365 | |
| 366 | L | B | -1.3780 | |
| 367 | P | B | -1.0941 | |
| 368 | M | B | 0.0000 | |
| 369 | I | B | 0.0000 | |
| 370 | I | B | 0.0000 | |
| 371 | T | B | 0.0000 | |
| 372 | E | B | -0.1883 | |
| 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 | -0.2755 | |
| 379 | A | B | 0.0000 | |
| 380 | D | B | 0.0000 | |
| 381 | R | B | 0.0000 | |
| 382 | Y | B | 0.0397 | |
| 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 | -0.8957 | |
| 393 | A | B | 0.0000 | |
| 394 | V | B | 0.0000 | |
| 395 | Y | B | -1.2462 | |
| 396 | N | B | -1.7533 | |
| 397 | A | B | 0.0000 | |
| 398 | M | B | -2.0808 | |
| 399 | K | B | -2.9394 | |
| 400 | E | B | -3.1559 | |
| 401 | G | B | -2.5263 | |
| 402 | A | B | 0.0000 | |
| 403 | D | B | -2.5269 | |
| 404 | V | B | 0.0000 | |
| 405 | R | B | -1.5926 | |
| 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 | 0.0000 | |
| 419 | A | B | -0.6038 | |
| 420 | Q | B | -1.0976 | |
| 421 | G | B | 0.0000 | |
| 422 | F | B | 0.0000 | |
| 423 | R | B | -2.0320 | |
| 424 | M | B | 0.0000 | |
| 425 | R | B | -0.6764 | |
| 426 | F | B | 0.0000 | |
| 427 | G | B | 0.0000 | |
| 428 | L | B | 0.0000 | |
| 429 | V | B | 0.0000 | |
| 430 | Y | B | 0.0000 | |
| 431 | V | B | 0.0000 | |
| 432 | D | B | -1.6760 | |
| 433 | F | B | 0.0000 | |
| 434 | E | B | -2.3413 | |
| 435 | T | B | -1.7169 | |
| 436 | K | B | -1.6466 | |
| 437 | K | B | -2.2678 | |
| 438 | R | B | -1.4547 | |
| 439 | Y | B | -1.0863 | |
| 440 | L | B | 0.0000 | |
| 441 | R | B | 0.0000 | |
| 442 | P | B | 0.0000 | |
| 443 | S | B | 0.0000 | |
| 444 | A | B | 0.0000 | |
| 445 | L | B | 0.0000 | |
| 446 | V | B | 0.0000 | |
| 447 | F | B | 0.0000 | |
| 448 | R | B | -1.4966 | |
| 449 | E | B | -1.5854 | |
| 450 | I | B | 0.0000 | |
| 451 | A | B | 0.0000 | |
| 452 | T | B | -1.2782 | |
| 453 | Q | B | -1.9387 | |
| 454 | K | B | -2.7399 | |
| 455 | E | B | -2.1540 | |
| 456 | I | B | -1.3523 | |
| 457 | P | B | 0.0000 | |
| 458 | E | B | -2.2674 | |
| 459 | E | B | -1.7746 | |
| 460 | L | B | 0.0000 | |
| 461 | A | B | -1.1071 | |
| 462 | H | B | -1.0918 | |
| 463 | L | B | 0.0000 | |
| 464 | A | B | -0.9990 | |
| 465 | D | B | -1.7368 | |
| 466 | L | B | -1.2815 | |
| 467 | K | B | -1.9715 | |
| 468 | F | B | -0.7557 | |
| 469 | V | B | -0.6934 | |
| 470 | T | B | -1.3061 | |
| 471 | R | B | -1.9638 | |
| 1 | A | C | -1.6199 | |
| 2 | K | C | -2.6998 | |
| 3 | F | C | 0.0000 | |
| 4 | P | C | -2.1688 | |
| 5 | K | C | -2.7693 | |
| 6 | N | C | -2.4038 | |
| 7 | F | C | -1.7693 | |
| 8 | M | C | -1.1749 | |
| 9 | F | C | 0.0000 | |
| 10 | G | C | 0.0000 | |
| 11 | Y | C | 0.0000 | |
| 12 | S | C | 0.0000 | |
| 13 | W | C | 0.0000 | |
| 14 | S | C | 0.0000 | |
| 15 | G | C | -0.1145 | |
| 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 | -0.6872 | |
| 23 | P | C | -0.9020 | |
| 24 | G | C | -0.9836 | |
| 25 | S | C | 0.0000 | |
| 26 | E | C | -2.1717 | |
| 27 | V | C | 0.0000 | |
| 28 | E | C | -2.0375 | |
| 29 | S | C | 0.0000 | |
| 30 | D | C | 0.0000 | |
| 31 | W | C | 0.0000 | |
| 32 | W | C | 0.0000 | |
| 33 | V | C | -0.2974 | |
| 34 | W | C | 0.0000 | |
| 35 | V | C | 0.0000 | |
| 36 | H | C | -0.8021 | |
| 37 | D | C | -1.0221 | |
| 38 | K | C | -1.7798 | |
| 39 | E | C | -0.8884 | |
| 40 | N | C | 0.0000 | |
| 41 | I | C | -0.7640 | |
| 42 | A | C | -0.3163 | |
| 43 | S | C | -0.6651 | |
| 44 | G | C | -0.4909 | |
| 45 | L | C | 0.0000 | |
| 46 | V | C | 0.0000 | |
| 47 | S | C | -0.5603 | |
| 48 | G | C | -0.7198 | |
| 49 | D | C | -0.8700 | |
| 50 | L | C | 0.1300 | |
| 51 | P | C | 0.0000 | |
| 52 | E | C | -1.1039 | |
| 53 | N | C | -0.7242 | |
| 54 | G | C | 0.0000 | |
| 55 | P | C | 0.0000 | |
| 56 | A | C | 0.0000 | |
| 57 | Y | C | 0.0000 | |
| 58 | W | C | -0.6445 | |
| 59 | H | C | -0.9747 | |
| 60 | L | C | -0.8857 | |
| 61 | Y | C | 0.0000 | |
| 62 | K | C | -2.5051 | |
| 63 | Q | C | -2.3072 | |
| 64 | D | C | 0.0000 | |
| 65 | H | C | 0.0000 | |
| 66 | D | C | -2.6846 | |
| 67 | I | C | 0.0000 | |
| 68 | A | C | 0.0000 | |
| 69 | E | C | -2.7269 | |
| 70 | K | C | -2.2612 | |
| 71 | L | C | 0.0000 | |
| 72 | G | C | -1.7980 | |
| 73 | M | C | 0.0000 | |
| 74 | D | C | -1.2944 | |
| 75 | C | C | 0.0000 | |
| 76 | I | C | 0.0000 | |
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| 79 | G | C | -0.1341 | |
| 80 | I | C | 0.0000 | |
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| 83 | A | C | -0.6924 | |
| 84 | R | C | -1.1063 | |
| 85 | I | C | 0.0000 | |
| 86 | F | C | 0.0000 | |
| 87 | P | C | -1.1556 | |
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| 89 | P | C | -0.2847 | |
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| 92 | D | C | -1.4659 | |
| 93 | V | C | -1.3175 | |
| 94 | K | C | -2.2429 | |
| 95 | V | C | -1.9411 | |
| 96 | D | C | -3.1255 | |
| 97 | V | C | -2.0361 | |
| 98 | E | C | -2.6911 | |
| 99 | K | C | -3.0854 | |
| 100 | D | C | -2.9895 | |
| 101 | E | C | -3.5343 | |
| 102 | E | C | -3.2541 | |
| 103 | G | C | -2.6486 | |
| 104 | N | C | -1.5136 | |
| 105 | I | C | 0.0000 | |
| 106 | I | C | 0.6955 | |
| 107 | S | C | -0.8774 | |
| 108 | V | C | 0.0000 | |
| 109 | D | C | -2.8973 | |
| 110 | V | C | 0.0000 | |
| 111 | P | C | -1.9212 | |
| 112 | E | C | -2.3913 | |
| 113 | S | C | -1.9527 | |
| 114 | T | C | 0.0000 | |
| 115 | I | C | 0.0000 | |
| 116 | K | C | -2.7758 | |
| 117 | E | C | -3.2673 | |
| 118 | L | C | 0.0000 | |
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| 120 | K | C | -2.5673 | |
| 121 | I | C | -1.3559 | |
| 122 | A | C | -1.5171 | |
| 123 | N | C | -1.8803 | |
| 124 | M | C | -1.7046 | |
| 125 | E | C | -2.6574 | |
| 126 | A | C | 0.0000 | |
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| 128 | E | C | -3.0244 | |
| 129 | H | C | -2.0877 | |
| 130 | Y | C | 0.0000 | |
| 131 | R | C | -2.1520 | |
| 132 | K | C | -2.2398 | |
| 133 | I | C | 0.0000 | |
| 134 | Y | C | 0.0000 | |
| 135 | S | C | -1.9310 | |
| 136 | D | C | -2.0325 | |
| 137 | W | C | 0.0000 | |
| 138 | K | C | -2.2351 | |
| 139 | E | C | -2.5943 | |
| 140 | R | C | -2.2263 | |
| 141 | G | C | -1.7787 | |
| 142 | K | C | -1.5757 | |
| 143 | T | C | -0.6835 | |
| 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 | -0.0857 | |
| 151 | W | C | 0.0829 | |
| 152 | P | C | 0.0000 | |
| 153 | L | C | 0.0000 | |
| 154 | P | C | 0.0000 | |
| 155 | L | C | -0.2133 | |
| 156 | W | C | 0.1098 | |
| 157 | I | C | 0.0000 | |
| 158 | H | C | 0.0000 | |
| 159 | D | C | -0.2496 | |
| 160 | P | C | 0.0000 | |
| 161 | I | C | 0.0597 | |
| 162 | A | C | -0.5331 | |
| 163 | V | C | 0.0000 | |
| 164 | R | C | -0.3252 | |
| 165 | K | C | -0.6598 | |
| 166 | L | C | -0.1170 | |
| 167 | G | C | -0.8180 | |
| 168 | P | C | -1.4126 | |
| 169 | D | C | -2.6246 | |
| 170 | R | C | -2.6160 | |
| 171 | A | C | -1.3759 | |
| 172 | P | C | -0.9691 | |
| 173 | A | C | 0.0000 | |
| 174 | G | C | 0.0000 | |
| 175 | W | C | 0.0000 | |
| 176 | L | C | 0.0000 | |
| 177 | D | C | -2.1937 | |
| 178 | E | C | -2.9190 | |
| 179 | K | C | -2.3747 | |
| 180 | T | C | 0.0000 | |
| 181 | V | C | 0.0000 | |
| 182 | V | C | -0.7527 | |
| 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 | |
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| 190 | F | C | 0.0000 | |
| 191 | V | C | 0.0000 | |
| 192 | A | C | 0.0000 | |
| 193 | Y | C | -0.6772 | |
| 194 | H | C | -0.8611 | |
| 195 | L | C | 0.0000 | |
| 196 | D | C | -1.8632 | |
| 197 | D | C | -2.3150 | |
| 198 | L | C | 0.0000 | |
| 199 | V | C | 0.0000 | |
| 200 | D | C | -1.1975 | |
| 201 | M | C | -0.4373 | |
| 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 | 0.0000 | |
| 210 | V | C | -0.2196 | |
| 211 | V | C | 0.0000 | |
| 212 | Y | C | 0.0000 | |
| 213 | N | C | -1.1356 | |
| 214 | Q | C | -1.0331 | |
| 215 | G | C | 0.0000 | |
| 216 | Y | C | 0.0000 | |
| 217 | I | C | -0.3782 | |
| 218 | N | C | -1.2833 | |
| 219 | L | C | 0.0000 | |
| 220 | R | C | -1.9265 | |
| 221 | S | C | -1.1457 | |
| 222 | G | C | 0.0000 | |
| 223 | F | C | 0.0000 | |
| 224 | P | C | 0.0000 | |
| 225 | P | C | 0.0000 | |
| 226 | G | C | -0.2448 | |
| 227 | Y | C | 0.0239 | |
| 228 | L | C | -0.1463 | |
| 229 | S | C | -0.4707 | |
| 230 | F | C | -0.4963 | |
| 231 | E | C | -2.2597 | |
| 232 | A | C | 0.0000 | |
| 233 | A | C | 0.0000 | |
| 234 | E | C | -2.8086 | |
| 235 | K | C | -2.8545 | |
| 236 | A | C | 0.0000 | |
| 237 | K | C | -1.5416 | |
| 238 | F | C | -1.0448 | |
| 239 | N | C | 0.0000 | |
| 240 | L | C | 0.0000 | |
| 241 | I | C | 0.0000 | |
| 242 | Q | C | 0.0000 | |
| 243 | A | C | 0.0000 | |
| 244 | H | C | 0.0000 | |
| 245 | I | C | -0.0080 | |
| 246 | G | C | 0.0000 | |
| 247 | A | C | 0.0000 | |
| 248 | Y | C | -0.8893 | |
| 249 | D | C | -1.5940 | |
| 250 | A | C | 0.0000 | |
| 251 | I | C | 0.0000 | |
| 252 | K | C | -2.4899 | |
| 253 | E | C | -2.2556 | |
| 254 | Y | C | -1.4094 | |
| 255 | S | C | 0.0000 | |
| 256 | E | C | -2.5791 | |
| 257 | K | C | -1.8303 | |
| 258 | S | C | -1.1239 | |
| 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 | 0.0244 | |
| 265 | F | C | 0.0000 | |
| 266 | A | C | 0.0281 | |
| 267 | W | C | 0.0000 | |
| 268 | H | C | 0.0000 | |
| 269 | D | C | -0.4865 | |
| 270 | P | C | -1.0945 | |
| 271 | L | C | 0.6666 | |
| 272 | A | C | -1.0133 | |
| 273 | E | C | -3.2746 | |
| 274 | E | C | -3.4280 | |
| 275 | Y | C | -3.1832 | |
| 276 | K | C | -4.5014 | |
| 277 | D | C | -4.7226 | |
| 278 | E | C | -4.4184 | |
| 279 | V | C | 0.0000 | |
| 280 | E | C | -4.5206 | |
| 281 | E | C | -4.6553 | |
| 282 | I | C | -3.1028 | |
| 283 | R | C | -3.2630 | |
| 284 | K | C | -3.9986 | |
| 285 | K | C | -3.7624 | |
| 286 | D | C | -2.6168 | |
| 287 | Y | C | 0.0000 | |
| 288 | E | C | -2.1765 | |
| 289 | F | C | 0.0000 | |
| 290 | V | C | 0.0000 | |
| 291 | T | C | -1.1014 | |
| 292 | I | C | -0.4131 | |
| 293 | L | C | 0.0000 | |
| 294 | H | C | -1.3897 | |
| 295 | S | C | -0.9285 | |
| 296 | K | C | -1.3463 | |
| 297 | G | C | -1.4450 | |
| 298 | K | C | -1.4085 | |
| 299 | L | C | 0.0000 | |
| 300 | D | C | -0.8920 | |
| 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 | 0.3435 | |
| 308 | S | C | 0.0000 | |
| 309 | R | C | 0.0973 | |
| 310 | L | C | 0.6134 | |
| 311 | V | C | 0.0000 | |
| 312 | Y | C | 0.0000 | |
| 313 | G | C | 0.0000 | |
| 314 | A | C | -1.7138 | |
| 315 | K | C | -3.0174 | |
| 316 | D | C | -3.1809 | |
| 317 | G | C | -2.6223 | |
| 318 | H | C | -2.3898 | |
| 319 | L | C | 0.0000 | |
| 320 | V | C | -0.6424 | |
| 321 | P | C | 0.3690 | |
| 322 | L | C | 0.5769 | |
| 323 | P | C | -0.2524 | |
| 324 | G | C | -0.5936 | |
| 325 | Y | C | -0.1505 | |
| 326 | G | C | 0.0000 | |
| 327 | F | C | 1.1024 | |
| 328 | M | C | 0.4008 | |
| 329 | S | C | 0.0000 | |
| 330 | E | C | -2.3590 | |
| 331 | R | C | -2.3367 | |
| 332 | G | C | -1.4815 | |
| 333 | G | C | -1.1764 | |
| 334 | F | C | -0.6277 | |
| 335 | A | C | 0.0000 | |
| 336 | K | C | -2.0465 | |
| 337 | S | C | -1.0953 | |
| 338 | G | C | -1.2327 | |
| 339 | R | C | -0.8654 | |
| 340 | P | C | 0.0000 | |
| 341 | A | C | 0.0000 | |
| 342 | S | C | 0.0000 | |
| 343 | D | C | -1.1229 | |
| 344 | F | C | -0.2090 | |
| 345 | G | C | 0.0000 | |
| 346 | W | C | 0.3585 | |
| 347 | E | C | 0.0000 | |
| 348 | M | C | 0.0000 | |
| 349 | Y | C | -0.1330 | |
| 350 | P | C | 0.0000 | |
| 351 | E | C | -1.5294 | |
| 352 | G | C | 0.0000 | |
| 353 | L | C | 0.0000 | |
| 354 | E | C | -1.6282 | |
| 355 | N | C | -1.5348 | |
| 356 | L | C | 0.0000 | |
| 357 | L | C | 0.0000 | |
| 358 | K | C | -1.6688 | |
| 359 | Y | C | -0.7289 | |
| 360 | L | C | 0.0000 | |
| 361 | N | C | -1.6378 | |
| 362 | N | C | -1.9496 | |
| 363 | A | C | -1.0918 | |
| 364 | Y | C | 0.0000 | |
| 365 | E | C | -2.3235 | |
| 366 | L | C | -1.1781 | |
| 367 | P | C | -0.9835 | |
| 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 | -0.3013 | |
| 379 | A | C | 0.0000 | |
| 380 | D | C | 0.0000 | |
| 381 | R | C | 0.0000 | |
| 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 | -1.0543 | |
| 393 | A | C | 0.0000 | |
| 394 | V | C | 0.0000 | |
| 395 | Y | C | -1.1956 | |
| 396 | N | C | -1.8516 | |
| 397 | A | C | 0.0000 | |
| 398 | M | C | -1.8280 | |
| 399 | K | C | -2.7453 | |
| 400 | E | C | -3.0070 | |
| 401 | G | C | -2.2195 | |
| 402 | A | C | 0.0000 | |
| 403 | D | C | -1.6697 | |
| 404 | V | C | 0.0000 | |
| 405 | R | C | -1.8923 | |
| 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 | -0.0556 | |
| 419 | A | C | -0.3542 | |
| 420 | Q | C | -0.9683 | |
| 421 | G | C | 0.0000 | |
| 422 | F | C | 0.0000 | |
| 423 | R | C | -1.9204 | |
| 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 | 0.0490 | |
| 431 | V | C | 0.0000 | |
| 432 | D | C | -0.6433 | |
| 433 | F | C | 0.4368 | |
| 434 | E | C | -1.3999 | |
| 435 | T | C | -1.1488 | |
| 436 | K | C | -1.1009 | |
| 437 | K | C | -1.9933 | |
| 438 | R | C | -1.3461 | |
| 439 | Y | C | -0.8818 | |
| 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 | -1.5832 | |
| 449 | E | C | -1.5264 | |
| 450 | I | C | 0.0000 | |
| 451 | A | C | 0.0000 | |
| 452 | T | C | -1.7734 | |
| 453 | Q | C | -2.4299 | |
| 454 | K | C | -2.8166 | |
| 455 | E | C | -2.4131 | |
| 456 | I | C | 0.0000 | |
| 457 | P | C | -2.1579 | |
| 458 | E | C | -2.6869 | |
| 459 | E | C | -2.4042 | |
| 460 | L | C | 0.0000 | |
| 461 | A | C | -1.4422 | |
| 462 | H | C | -1.3904 | |
| 463 | L | C | 0.0000 | |
| 464 | A | C | -1.2310 | |
| 465 | D | C | -2.2921 | |
| 466 | L | C | 0.0000 | |
| 467 | K | C | -2.2249 | |
| 468 | F | C | -0.9857 | |
| 469 | V | C | -0.9107 | |
| 470 | T | C | -1.4321 | |
| 471 | R | C | -2.1077 | |
| 1 | A | D | -1.2920 | |
| 2 | K | D | -2.7131 | |
| 3 | F | D | 0.0000 | |
| 4 | P | D | -2.0516 | |
| 5 | K | D | -2.7231 | |
| 6 | N | D | -2.4202 | |
| 7 | F | D | 0.0000 | |
| 8 | M | D | 0.0000 | |
| 9 | F | D | 0.0000 | |
| 10 | G | D | 0.0000 | |
| 11 | Y | D | 0.0000 | |
| 12 | S | D | 0.0000 | |
| 13 | W | D | 0.0000 | |
| 14 | S | D | 0.0000 | |
| 15 | G | D | 0.0000 | |
| 16 | F | D | 0.0000 | |
| 17 | Q | D | 0.0000 | |
| 18 | F | D | 0.0000 | |
| 19 | E | D | 0.0000 | |
| 20 | M | D | 0.0000 | |
| 21 | G | D | 0.0000 | |
| 22 | L | D | -0.8379 | |
| 23 | P | D | -1.0195 | |
| 24 | G | D | -0.9783 | |
| 25 | S | D | 0.0000 | |
| 26 | E | D | -2.1197 | |
| 27 | V | D | 0.0000 | |
| 28 | E | D | -1.9466 | |
| 29 | S | D | 0.0000 | |
| 30 | D | D | 0.0000 | |
| 31 | W | D | 0.0000 | |
| 32 | W | D | -0.2951 | |
| 33 | V | D | 0.1482 | |
| 34 | W | D | 0.0000 | |
| 35 | V | D | 0.0000 | |
| 36 | H | D | -0.7739 | |
| 37 | D | D | -1.0192 | |
| 38 | K | D | -1.8666 | |
| 39 | E | D | -0.9277 | |
| 40 | N | D | 0.0000 | |
| 41 | I | D | -0.0713 | |
| 42 | A | D | -0.1514 | |
| 43 | S | D | 0.0000 | |
| 44 | G | D | -0.6424 | |
| 45 | L | D | -0.4168 | |
| 46 | V | D | -0.1928 | |
| 47 | S | D | -0.4572 | |
| 48 | G | D | -1.2730 | |
| 49 | D | D | -1.2643 | |
| 50 | L | D | -0.7394 | |
| 51 | P | D | 0.0000 | |
| 52 | E | D | -2.7145 | |
| 53 | N | D | -2.5755 | |
| 54 | G | D | 0.0000 | |
| 55 | P | D | 0.0000 | |
| 56 | A | D | 0.0000 | |
| 57 | Y | D | 0.0000 | |
| 58 | W | D | -0.3452 | |
| 59 | H | D | -0.5590 | |
| 60 | L | D | -0.4335 | |
| 61 | Y | D | -1.0065 | |
| 62 | K | D | -2.4673 | |
| 63 | Q | D | -2.2715 | |
| 64 | D | D | 0.0000 | |
| 65 | H | D | -2.3403 | |
| 66 | D | D | -3.2551 | |
| 67 | I | D | 0.0000 | |
| 68 | A | D | 0.0000 | |
| 69 | E | D | -2.7385 | |
| 70 | K | D | -2.3720 | |
| 71 | L | D | 0.0000 | |
| 72 | G | D | -1.7362 | |
| 73 | M | D | 0.0000 | |
| 74 | D | D | -1.5272 | |
| 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 | -0.6642 | |
| 84 | R | D | -0.9787 | |
| 85 | I | D | 0.0000 | |
| 86 | F | D | 0.0000 | |
| 87 | P | D | -1.3850 | |
| 88 | K | D | -1.8682 | |
| 89 | P | D | -0.8795 | |
| 90 | T | D | 0.0000 | |
| 91 | F | D | -0.7165 | |
| 92 | D | D | -2.0197 | |
| 93 | V | D | 0.0000 | |
| 94 | K | D | -2.3225 | |
| 95 | V | D | -1.7548 | |
| 96 | D | D | -2.5963 | |
| 97 | V | D | -1.2465 | |
| 98 | E | D | -1.9589 | |
| 99 | K | D | -1.9496 | |
| 100 | D | D | -2.7064 | |
| 101 | E | D | -3.3939 | |
| 102 | E | D | -3.2179 | |
| 103 | G | D | -2.4718 | |
| 104 | N | D | -1.6203 | |
| 105 | I | D | -0.1721 | |
| 106 | I | D | 1.0130 | |
| 107 | S | D | -0.4858 | |
| 108 | V | D | -1.0062 | |
| 109 | D | D | -2.9704 | |
| 110 | V | D | -1.9615 | |
| 111 | P | D | -2.1293 | |
| 112 | E | D | -2.7619 | |
| 113 | S | D | -2.3779 | |
| 114 | T | D | 0.0000 | |
| 115 | I | D | 0.0000 | |
| 116 | K | D | -3.7854 | |
| 117 | E | D | -3.9777 | |
| 118 | L | D | 0.0000 | |
| 119 | E | D | -3.5677 | |
| 120 | K | D | -3.3650 | |
| 121 | I | D | -2.0532 | |
| 122 | A | D | -1.9461 | |
| 123 | N | D | -1.8730 | |
| 124 | M | D | -1.7616 | |
| 125 | E | D | -2.4194 | |
| 126 | A | D | 0.0000 | |
| 127 | L | D | 0.0000 | |
| 128 | E | D | -3.0823 | |
| 129 | H | D | -2.2487 | |
| 130 | Y | D | 0.0000 | |
| 131 | R | D | -2.2507 | |
| 132 | K | D | -2.7337 | |
| 133 | I | D | 0.0000 | |
| 134 | Y | D | 0.0000 | |
| 135 | S | D | -2.4940 | |
| 136 | D | D | -2.7952 | |
| 137 | W | D | 0.0000 | |
| 138 | K | D | -2.9860 | |
| 139 | E | D | -3.4016 | |
| 140 | R | D | -3.6057 | |
| 141 | G | D | -2.5574 | |
| 142 | K | D | -2.2861 | |
| 143 | T | D | -1.0695 | |
| 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 | 0.1448 | |
| 152 | P | D | 0.0000 | |
| 153 | L | D | 0.0000 | |
| 154 | P | D | 0.0000 | |
| 155 | L | D | -0.0927 | |
| 156 | W | D | -0.0284 | |
| 157 | I | D | 0.0000 | |
| 158 | H | D | 0.0000 | |
| 159 | D | D | -0.4365 | |
| 160 | P | D | 0.0000 | |
| 161 | I | D | -0.2209 | |
| 162 | A | D | -0.8048 | |
| 163 | V | D | 0.0000 | |
| 164 | R | D | -0.9395 | |
| 165 | K | D | -1.6062 | |
| 166 | L | D | -1.0100 | |
| 167 | G | D | -1.3542 | |
| 168 | P | D | -1.8940 | |
| 169 | D | D | -2.6980 | |
| 170 | R | D | -2.8374 | |
| 171 | A | D | -1.5478 | |
| 172 | P | D | -1.0458 | |
| 173 | A | D | 0.0000 | |
| 174 | G | D | 0.0000 | |
| 175 | W | D | 0.0000 | |
| 176 | L | D | 0.0000 | |
| 177 | D | D | -2.0915 | |
| 178 | E | D | -2.5257 | |
| 179 | K | D | -1.6984 | |
| 180 | T | D | 0.0000 | |
| 181 | V | D | 0.0000 | |
| 182 | V | D | -0.5673 | |
| 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 | -0.2265 | |
| 194 | H | D | -0.3872 | |
| 195 | L | D | 0.0000 | |
| 196 | D | D | -1.4984 | |
| 197 | D | D | -2.0899 | |
| 198 | L | D | -1.6885 | |
| 199 | V | D | 0.0000 | |
| 200 | D | D | -1.0985 | |
| 201 | M | D | -0.5791 | |
| 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 | -0.1342 | |
| 208 | P | D | 0.0000 | |
| 209 | N | D | -0.5975 | |
| 210 | V | D | -0.2151 | |
| 211 | V | D | -0.0934 | |
| 212 | Y | D | 0.0000 | |
| 213 | N | D | -0.9258 | |
| 214 | Q | D | -0.7747 | |
| 215 | G | D | 0.0000 | |
| 216 | Y | D | 0.0000 | |
| 217 | I | D | 0.0000 | |
| 218 | N | D | -0.6860 | |
| 219 | L | D | 0.0000 | |
| 220 | R | D | -1.2377 | |
| 221 | S | D | -0.6447 | |
| 222 | G | D | -0.2755 | |
| 223 | F | D | 0.1030 | |
| 224 | P | D | 0.0941 | |
| 225 | P | D | 0.0000 | |
| 226 | G | D | -0.3630 | |
| 227 | Y | D | -0.3641 | |
| 228 | L | D | 0.0000 | |
| 229 | S | D | -0.8558 | |
| 230 | F | D | -0.9828 | |
| 231 | E | D | -2.2611 | |
| 232 | A | D | -1.6097 | |
| 233 | A | D | 0.0000 | |
| 234 | E | D | -2.6105 | |
| 235 | K | D | -2.2909 | |
| 236 | A | D | 0.0000 | |
| 237 | K | D | -1.4151 | |
| 238 | F | D | -1.1688 | |
| 239 | N | D | 0.0000 | |
| 240 | L | D | 0.0000 | |
| 241 | I | D | 0.0000 | |
| 242 | Q | D | 0.0000 | |
| 243 | A | D | 0.0000 | |
| 244 | H | D | 0.0000 | |
| 245 | I | D | 0.0000 | |
| 246 | G | D | 0.0000 | |
| 247 | A | D | 0.0000 | |
| 248 | Y | D | -0.6419 | |
| 249 | D | D | -1.4470 | |
| 250 | A | D | 0.0000 | |
| 251 | I | D | 0.0000 | |
| 252 | K | D | -2.0407 | |
| 253 | E | D | -2.4912 | |
| 254 | Y | D | -1.0914 | |
| 255 | S | D | 0.0000 | |
| 256 | E | D | -2.4876 | |
| 257 | K | D | -1.5704 | |
| 258 | S | D | -0.8665 | |
| 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 | -0.1249 | |
| 265 | F | D | 0.0000 | |
| 266 | A | D | 0.0402 | |
| 267 | W | D | -0.1650 | |
| 268 | H | D | 0.0000 | |
| 269 | D | D | -0.0911 | |
| 270 | P | D | -0.8538 | |
| 271 | L | D | 0.7544 | |
| 272 | A | D | -0.9852 | |
| 273 | E | D | -2.9926 | |
| 274 | E | D | -3.3432 | |
| 275 | Y | D | -2.7656 | |
| 276 | K | D | -3.9058 | |
| 277 | D | D | -4.3588 | |
| 278 | E | D | -3.7380 | |
| 279 | V | D | 0.0000 | |
| 280 | E | D | -3.4930 | |
| 281 | E | D | -3.9798 | |
| 282 | I | D | -2.6141 | |
| 283 | R | D | -2.5594 | |
| 284 | K | D | -2.9732 | |
| 285 | K | D | -3.3045 | |
| 286 | D | D | -2.3419 | |
| 287 | Y | D | 0.0000 | |
| 288 | E | D | -2.0948 | |
| 289 | F | D | 0.0000 | |
| 290 | V | D | 0.0000 | |
| 291 | T | D | -1.0564 | |
| 292 | I | D | -0.5843 | |
| 293 | L | D | 0.0000 | |
| 294 | H | D | -1.4568 | |
| 295 | S | D | -1.1804 | |
| 296 | K | D | -1.9468 | |
| 297 | G | D | -1.5751 | |
| 298 | K | D | -1.4264 | |
| 299 | L | D | 0.0000 | |
| 300 | D | D | -0.7490 | |
| 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 | 0.2953 | |
| 308 | S | D | 0.0000 | |
| 309 | R | D | 0.2175 | |
| 310 | L | D | 0.6067 | |
| 311 | V | D | 0.0000 | |
| 312 | Y | D | 0.0000 | |
| 313 | G | D | 0.1142 | |
| 314 | A | D | -0.8654 | |
| 315 | K | D | -1.8197 | |
| 316 | D | D | -2.6752 | |
| 317 | G | D | -1.8915 | |
| 318 | H | D | -0.9886 | |
| 319 | L | D | 0.1085 | |
| 320 | V | D | 1.2429 | |
| 321 | P | D | 0.9091 | |
| 322 | L | D | 1.0870 | |
| 323 | P | D | 0.0274 | |
| 324 | G | D | 0.0000 | |
| 325 | Y | D | -0.0976 | |
| 326 | G | D | 0.0000 | |
| 327 | F | D | 0.7210 | |
| 328 | M | D | 0.4179 | |
| 329 | S | D | 0.0000 | |
| 330 | E | D | -2.7688 | |
| 331 | R | D | -2.8456 | |
| 332 | G | D | -1.9589 | |
| 333 | G | D | -1.6328 | |
| 334 | F | D | -1.2084 | |
| 335 | A | D | 0.0000 | |
| 336 | K | D | -2.3115 | |
| 337 | S | D | -1.1452 | |
| 338 | G | D | -1.3662 | |
| 339 | R | D | -1.0887 | |
| 340 | P | D | 0.0000 | |
| 341 | A | D | 0.0000 | |
| 342 | S | D | 0.0000 | |
| 343 | D | D | -1.9297 | |
| 344 | F | D | -0.9629 | |
| 345 | G | D | 0.0000 | |
| 346 | W | D | 0.0332 | |
| 347 | E | D | 0.0000 | |
| 348 | M | D | 0.0000 | |
| 349 | Y | D | -0.0380 | |
| 350 | P | D | 0.0000 | |
| 351 | E | D | -1.1161 | |
| 352 | G | D | 0.0000 | |
| 353 | L | D | 0.0000 | |
| 354 | E | D | -1.1570 | |
| 355 | N | D | -1.1211 | |
| 356 | L | D | 0.0000 | |
| 357 | L | D | 0.0000 | |
| 358 | K | D | -1.8523 | |
| 359 | Y | D | -0.7461 | |
| 360 | L | D | 0.0000 | |
| 361 | N | D | -1.7449 | |
| 362 | N | D | -1.9151 | |
| 363 | A | D | -1.1233 | |
| 364 | Y | D | 0.0000 | |
| 365 | E | D | -2.3836 | |
| 366 | L | D | -1.1892 | |
| 367 | P | D | -0.8850 | |
| 368 | M | D | 0.0000 | |
| 369 | I | D | 0.0000 | |
| 370 | I | D | 0.0000 | |
| 371 | T | D | 0.0000 | |
| 372 | E | D | -0.1368 | |
| 373 | N | D | 0.0000 | |
| 374 | G | D | 0.0000 | |
| 375 | M | D | 0.0000 | |
| 376 | A | D | 0.0000 | |
| 377 | D | D | -0.4212 | |
| 378 | A | D | -0.7338 | |
| 379 | A | D | -0.1274 | |
| 380 | D | D | 0.0000 | |
| 381 | R | D | -0.4738 | |
| 382 | Y | D | 0.0000 | |
| 383 | R | D | 0.0000 | |
| 384 | P | D | 0.0000 | |
| 385 | H | D | 0.0000 | |
| 386 | Y | D | 0.0000 | |
| 387 | L | D | -0.0053 | |
| 388 | V | D | 0.0000 | |
| 389 | S | D | 0.0000 | |
| 390 | H | D | 0.0000 | |
| 391 | L | D | 0.0000 | |
| 392 | K | D | -1.2253 | |
| 393 | A | D | 0.0000 | |
| 394 | V | D | 0.0000 | |
| 395 | Y | D | -1.1207 | |
| 396 | N | D | -1.7425 | |
| 397 | A | D | 0.0000 | |
| 398 | M | D | -1.9982 | |
| 399 | K | D | -2.8284 | |
| 400 | E | D | -3.1056 | |
| 401 | G | D | -2.3302 | |
| 402 | A | D | 0.0000 | |
| 403 | D | D | -1.9943 | |
| 404 | V | D | 0.0000 | |
| 405 | R | D | -1.4140 | |
| 406 | G | D | 0.0000 | |
| 407 | Y | D | 0.0000 | |
| 408 | L | D | 0.0000 | |
| 409 | H | D | 0.0000 | |
| 410 | W | D | 0.0928 | |
| 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 | -0.6825 | |
| 418 | W | D | -0.1132 | |
| 419 | A | D | -0.5450 | |
| 420 | Q | D | -1.1671 | |
| 421 | G | D | 0.0000 | |
| 422 | F | D | -0.9662 | |
| 423 | R | D | -1.9493 | |
| 424 | M | D | -1.0734 | |
| 425 | R | D | -0.5969 | |
| 426 | F | D | 0.1190 | |
| 427 | G | D | 0.0000 | |
| 428 | L | D | 0.0000 | |
| 429 | V | D | 0.0000 | |
| 430 | Y | D | 0.0000 | |
| 431 | V | D | 0.0000 | |
| 432 | D | D | -1.5965 | |
| 433 | F | D | 0.0000 | |
| 434 | E | D | -2.7498 | |
| 435 | T | D | -1.7584 | |
| 436 | K | D | -1.6557 | |
| 437 | K | D | -2.0887 | |
| 438 | R | D | 0.0000 | |
| 439 | Y | D | -0.8378 | |
| 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 | -2.1225 | |
| 449 | E | D | -1.9494 | |
| 450 | I | D | 0.0000 | |
| 451 | A | D | 0.0000 | |
| 452 | T | D | -1.7855 | |
| 453 | Q | D | -2.5676 | |
| 454 | K | D | -3.1145 | |
| 455 | E | D | -2.5971 | |
| 456 | I | D | -1.6287 | |
| 457 | P | D | 0.0000 | |
| 458 | E | D | -2.2100 | |
| 459 | E | D | -1.8841 | |
| 460 | L | D | 0.0000 | |
| 461 | A | D | -1.2204 | |
| 462 | H | D | -1.1005 | |
| 463 | L | D | 0.0000 | |
| 464 | A | D | -0.7718 | |
| 465 | D | D | -1.3008 | |
| 466 | L | D | -1.1447 | |
| 467 | K | D | -2.0167 | |
| 468 | F | D | -0.9031 | |
| 469 | V | D | 0.0000 | |
| 470 | T | D | -1.5077 | |
| 471 | R | D | -2.2623 |
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 | -0.642 | 3.0941 | View | CSV | PDB |
| 4.5 | -0.7165 | 2.9658 | View | CSV | PDB |
| 5.0 | -0.8105 | 2.8732 | View | CSV | PDB |
| 5.5 | -0.9059 | 2.8185 | View | CSV | PDB |
| 6.0 | -0.9823 | 2.7694 | View | CSV | PDB |
| 6.5 | -1.024 | 2.734 | View | CSV | PDB |
| 7.0 | -1.0284 | 2.7152 | View | CSV | PDB |
| 7.5 | -1.0062 | 2.7075 | View | CSV | PDB |
| 8.0 | -0.9695 | 2.7049 | View | CSV | PDB |
| 8.5 | -0.9238 | 2.7039 | View | CSV | PDB |
| 9.0 | -0.87 | 2.7036 | 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