| Chain sequence(s) | LLDPCGYISPESPVVQLHSNFTAVCVLKEKCMDYFHVNANYIVWKTNHFTIPKEQYTIINRTASSVTFTDIASLNIQLTCNILTFGQLEQNVYGITIISGLPPEKPKNLSCIVNEGKKMRCEWDGGRETHLETNFTLKSEWATHKFADCKAKRDTPTSCTVDYSTVYFVNIEVWVEAENALGKVTSDHINFDPVYKVKPNPPHNLSVINSEELSSILKLTWTNPSIKSVIILKYNIQYRTKDASTWSQIPPEDTASTRSSFTVQDLKPFTEYVFRIRCMKEDGKGYWSDWSEEASGITYEDRPSKAPSFWYKIDPSHTQGYRTVQLVWKTLPPFEANGKILDYEVTLTRWKSHLQNYTVNATKLTVNLTNDRYLATLTVRNLVGKSDAAVLTIPACDFPRAELDSTVLLTRSLLADTRQLAAQLRDKFPADGDHNLDSLPTLAMSAGALGALQLPGVLTRLRADLLSYLRHVQWLRRAGGSSLKTLEPELGTLQARLDRLLRRLQLLMSRLALPQPPPDPPAPPLAPPSSAWGGIRAAHAILGGLHLTLDWAVRGLLLLKTRLPCPQAWGPPGVQYGQPGRSVKLCCPGVTAGDPVSWFRDGEPKLLQGPDSGLGHELVLAQADSTDEGTYICQTLDGALGGTVTLQLGYPPARPVVSCQAADYENFSCTWSPSQISGLPTRYLTSYRKKTVLGADSQRRSPSTGPWPCPQDPLGAARCVVHGAEFWSQYRINVTEVNPLGASTRLLDVSLQSILRPDPPQGLRVESVPGYPRRLRASWTYPASWPSQPHFLLKFRLQYRPAQHPAWSTVEPAGLEEVITDAVAGLPHAVRVSARDFLDAGTWSTWSPEAWGTPSTGLLDPCGYISPESPVVQLHSNFTAVCVLKEKCMDYFHVNANYIVWKTNHFTIPKEQYTIINRTASSVTFTDIASLNIQLTCNILTFGQLEQNVYGITIISGLPPEKPKNLSCIVNEGKKMRCEWDGGRETHLETNFTLKSEWATHKFADCKAKRDTPTSCTVDYSTVYFVNIEVWVEAENALGKVTSDHINFDPVYKVKPNPPHNLSVINSEELSSILKLTWTNPSIKSVIILKYNIQYRTKDASTWSQIPPEDTASTRSSFTVQDLKPFTEYVFRIRCMKEDGKGYWSDWSEEASGITYEDRPSKAPSFWYKIDPSHTQGYRTVQLVWKTLPPFEANGKILDYEVTLTRWKSHLQNYTVNATKLTVNLTNDRYLATLTVRNLVGKSDAAVLTIPACDFPRAELDSTVLLTRSLLADTRQLAAQLRDKFPADGDHNLDSLPTLAMSAGALGALQLPGVLTRLRADLLSYLRHVQWLRRAGGSSLKTLEPELGTLQARLDRLLRRLQLLMSRLALPQPPPDPPAPPLAPPSSAWGGIRAAHAILGGLHLTLDWAVRGLLLLKTRLPCPQAWGPPGVQYGQPGRSVKLCCPGVTAGDPVSWFRDGEPKLLQGPDSGLGHELVLAQADSTDEGTYICQTLDGALGGTVTLQLGYPPARPVVSCQAADYENFSCTWSPSQISGLPTRYLTSYRKKTVLGADSQRRSPSTGPWPCPQDPLGAARCVVHGAEFWSQYRINVTEVNPLGASTRLLDVSLQSILRPDPPQGLRVESVPGYPRRLRASWTYPASWPSQPHFLLKFRLQYRPAQHPAWSTVEPAGLEEVITDAVAGLPHAVRVSARDFLDAGTWSTWSPEAWGTPSTG input PDB |
| Selected Chain(s) | B |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| 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 B 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. (00:00:08)
[INFO] FoldX: Starting FoldX energy minimization (00:00:08)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:23:54)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/f8ab277d98e666/tmp/folded.pdb (00:23:54)
[INFO] Main: Simulation completed successfully. (00:34:35)
|
The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan3D score | mutation |
|---|---|---|---|---|
| residue index | residue name | chain | Aggrescan3D score | |
| 2 | L | A | 0.7135 | |
| 3 | L | A | 0.2989 | |
| 4 | D | A | -1.4507 | |
| 5 | P | A | -0.6178 | |
| 6 | C | A | -0.5260 | |
| 7 | G | A | -0.3731 | |
| 8 | Y | A | 0.9414 | |
| 9 | I | A | 0.0000 | |
| 10 | S | A | -0.3664 | |
| 11 | P | A | -0.8306 | |
| 12 | E | A | -1.8155 | |
| 13 | S | A | -1.0110 | |
| 14 | P | A | -0.2849 | |
| 15 | V | A | 0.4419 | |
| 16 | V | A | 0.0386 | |
| 17 | Q | A | -0.6427 | |
| 18 | L | A | -0.7638 | |
| 19 | H | A | -2.0337 | |
| 20 | S | A | -1.7124 | |
| 21 | N | A | -1.9781 | |
| 22 | F | A | 0.0000 | |
| 23 | T | A | -0.2478 | |
| 24 | A | A | 0.0000 | |
| 25 | V | A | 0.9928 | |
| 26 | C | A | 0.0000 | |
| 27 | V | A | 0.1020 | |
| 28 | L | A | 0.0000 | |
| 29 | K | A | -2.3813 | |
| 30 | E | A | -3.2486 | |
| 31 | K | A | -2.3861 | |
| 32 | C | A | 0.0000 | |
| 33 | M | A | -2.3059 | |
| 34 | D | A | -2.6566 | |
| 35 | Y | A | -0.6748 | |
| 36 | F | A | -0.0788 | |
| 37 | H | A | -0.9870 | |
| 38 | V | A | 0.0000 | |
| 39 | N | A | -1.6129 | |
| 40 | A | A | 0.0000 | |
| 41 | N | A | -0.9578 | |
| 42 | Y | A | 0.1765 | |
| 43 | I | A | 0.0000 | |
| 44 | V | A | 0.0000 | |
| 45 | W | A | 0.0000 | |
| 46 | K | A | -0.1898 | |
| 47 | T | A | -0.4537 | |
| 48 | N | A | -1.8551 | |
| 49 | H | A | -1.3922 | |
| 50 | F | A | 0.9518 | |
| 51 | T | A | 0.1145 | |
| 52 | I | A | 0.0000 | |
| 53 | P | A | -1.4202 | |
| 54 | K | A | -2.7436 | |
| 55 | E | A | -2.8481 | |
| 56 | Q | A | -1.8057 | |
| 57 | Y | A | -0.8356 | |
| 58 | T | A | 0.1975 | |
| 59 | I | A | 1.0440 | |
| 60 | I | A | 1.5928 | |
| 61 | N | A | -0.7502 | |
| 62 | R | A | -1.9981 | |
| 63 | T | A | -1.4722 | |
| 64 | A | A | 0.0000 | |
| 65 | S | A | 0.0000 | |
| 66 | S | A | 0.0000 | |
| 67 | V | A | 0.0000 | |
| 68 | T | A | -0.2420 | |
| 69 | F | A | -0.7757 | |
| 70 | T | A | -1.4930 | |
| 71 | D | A | -2.5737 | |
| 72 | I | A | 0.0000 | |
| 73 | A | A | -0.7692 | |
| 74 | S | A | -0.4987 | |
| 75 | L | A | -0.2813 | |
| 76 | N | A | -1.0163 | |
| 77 | I | A | -0.5039 | |
| 78 | Q | A | 0.0000 | |
| 79 | L | A | 0.0000 | |
| 80 | T | A | 0.0000 | |
| 81 | C | A | 0.0000 | |
| 82 | N | A | 0.0000 | |
| 83 | I | A | 0.0000 | |
| 84 | L | A | 0.0924 | |
| 85 | T | A | 0.0000 | |
| 86 | F | A | 0.9178 | |
| 87 | G | A | 0.0244 | |
| 88 | Q | A | -1.1625 | |
| 89 | L | A | -0.5245 | |
| 90 | E | A | -0.9590 | |
| 91 | Q | A | -0.7994 | |
| 92 | N | A | -0.8559 | |
| 93 | V | A | 0.0000 | |
| 94 | Y | A | 0.4058 | |
| 95 | G | A | 0.0000 | |
| 96 | I | A | 0.0000 | |
| 97 | T | A | -0.3525 | |
| 98 | I | A | 0.0000 | |
| 99 | I | A | 0.1596 | |
| 100 | S | A | 0.0000 | |
| 101 | G | A | 0.0000 | |
| 102 | L | A | -0.8372 | |
| 103 | P | A | -1.5193 | |
| 104 | P | A | -2.5058 | |
| 105 | E | A | -3.7728 | |
| 106 | K | A | -3.4093 | |
| 107 | P | A | 0.0000 | |
| 108 | K | A | -3.9388 | |
| 109 | N | A | -2.8988 | |
| 110 | L | A | -2.0532 | |
| 111 | S | A | -1.1545 | |
| 112 | C | A | 0.0000 | |
| 113 | I | A | 0.0000 | |
| 114 | V | A | 0.0000 | |
| 115 | N | A | -1.6036 | |
| 116 | E | A | -1.5481 | |
| 117 | G | A | -1.9480 | |
| 118 | K | A | -2.5869 | |
| 119 | K | A | -2.3174 | |
| 120 | M | A | 0.0000 | |
| 121 | R | A | -1.4620 | |
| 122 | C | A | 0.0000 | |
| 123 | E | A | -2.0628 | |
| 124 | W | A | 0.0000 | |
| 125 | D | A | -3.5773 | |
| 126 | G | A | -3.2595 | |
| 127 | G | A | -3.4194 | |
| 128 | R | A | -3.6244 | |
| 129 | E | A | -3.3119 | |
| 130 | T | A | -2.2570 | |
| 131 | H | A | -2.0284 | |
| 132 | L | A | -1.4015 | |
| 133 | E | A | -2.6013 | |
| 134 | T | A | -2.1497 | |
| 135 | N | A | -2.7039 | |
| 136 | F | A | -2.1622 | |
| 137 | T | A | -1.8976 | |
| 138 | L | A | 0.0000 | |
| 139 | K | A | -1.5661 | |
| 140 | S | A | 0.0000 | |
| 141 | E | A | -1.6693 | |
| 142 | W | A | -0.9331 | |
| 143 | A | A | -0.3954 | |
| 144 | T | A | -0.6648 | |
| 145 | H | A | -1.2871 | |
| 146 | K | A | -1.6516 | |
| 147 | F | A | 0.0000 | |
| 148 | A | A | -1.6923 | |
| 149 | D | A | -2.7065 | |
| 150 | C | A | 0.0000 | |
| 151 | K | A | -3.1948 | |
| 152 | A | A | -2.7881 | |
| 153 | K | A | -3.7776 | |
| 154 | R | A | -4.1571 | |
| 155 | D | A | -3.3019 | |
| 156 | T | A | -2.2695 | |
| 157 | P | A | -2.4630 | |
| 158 | T | A | -1.7123 | |
| 159 | S | A | -1.8217 | |
| 160 | C | A | 0.0000 | |
| 161 | T | A | -1.6932 | |
| 162 | V | A | 0.0000 | |
| 163 | D | A | -2.3766 | |
| 164 | Y | A | -1.1039 | |
| 165 | S | A | -1.1651 | |
| 166 | T | A | -0.7693 | |
| 167 | V | A | 0.0000 | |
| 168 | Y | A | 0.1061 | |
| 169 | F | A | 0.0354 | |
| 170 | V | A | 0.0000 | |
| 171 | N | A | -1.6370 | |
| 172 | I | A | 0.0000 | |
| 173 | E | A | -1.4515 | |
| 174 | V | A | 0.0000 | |
| 175 | W | A | 0.0000 | |
| 176 | V | A | 0.0000 | |
| 177 | E | A | -1.4491 | |
| 178 | A | A | 0.0000 | |
| 179 | E | A | -3.0313 | |
| 180 | N | A | 0.0000 | |
| 181 | A | A | -0.7299 | |
| 182 | L | A | -0.3433 | |
| 183 | G | A | -1.4009 | |
| 184 | K | A | -2.6282 | |
| 185 | V | A | -1.7888 | |
| 186 | T | A | -1.7247 | |
| 187 | S | A | 0.0000 | |
| 188 | D | A | -2.7204 | |
| 189 | H | A | -1.8315 | |
| 190 | I | A | -0.8602 | |
| 191 | N | A | -1.5175 | |
| 192 | F | A | -0.7690 | |
| 193 | D | A | -0.7394 | |
| 194 | P | A | 0.0000 | |
| 195 | V | A | 0.0000 | |
| 196 | Y | A | -0.3148 | |
| 197 | K | A | -0.5125 | |
| 198 | V | A | 0.0000 | |
| 199 | K | A | -0.8733 | |
| 200 | P | A | 0.0000 | |
| 201 | N | A | -1.5616 | |
| 202 | P | A | -1.3353 | |
| 203 | P | A | 0.0000 | |
| 204 | H | A | -2.0173 | |
| 205 | N | A | -1.8069 | |
| 206 | L | A | -1.3417 | |
| 207 | S | A | -0.4690 | |
| 208 | V | A | 0.4818 | |
| 209 | I | A | 0.6928 | |
| 210 | N | A | -0.4452 | |
| 211 | S | A | 0.0000 | |
| 212 | E | A | -2.6333 | |
| 213 | E | A | -2.5024 | |
| 214 | L | A | -0.9147 | |
| 215 | S | A | 0.0000 | |
| 216 | S | A | -1.0372 | |
| 217 | I | A | 0.0000 | |
| 218 | L | A | 0.0000 | |
| 219 | K | A | 0.0000 | |
| 220 | L | A | 0.0000 | |
| 221 | T | A | -0.1477 | |
| 222 | W | A | 0.0000 | |
| 223 | T | A | -0.7692 | |
| 224 | N | A | 0.0000 | |
| 225 | P | A | 0.0000 | |
| 226 | S | A | -0.8123 | |
| 227 | I | A | 0.0000 | |
| 228 | K | A | -0.7210 | |
| 229 | S | A | -0.5191 | |
| 230 | V | A | 0.0964 | |
| 231 | I | A | 0.0000 | |
| 232 | I | A | 0.7478 | |
| 233 | L | A | 0.0000 | |
| 234 | K | A | -1.1647 | |
| 235 | Y | A | 0.0000 | |
| 236 | N | A | -0.8646 | |
| 237 | I | A | 0.0000 | |
| 238 | Q | A | -0.6072 | |
| 239 | Y | A | -0.3924 | |
| 240 | R | A | -1.2615 | |
| 241 | T | A | -2.0633 | |
| 242 | K | A | -3.0306 | |
| 243 | D | A | -2.9073 | |
| 244 | A | A | -1.5178 | |
| 245 | S | A | -0.9433 | |
| 246 | T | A | -0.3737 | |
| 247 | W | A | -0.2463 | |
| 248 | S | A | -0.5839 | |
| 249 | Q | A | -1.0406 | |
| 250 | I | A | -0.8039 | |
| 251 | P | A | -1.1436 | |
| 252 | P | A | -1.4728 | |
| 253 | E | A | -2.2147 | |
| 254 | D | A | -1.5096 | |
| 255 | T | A | 0.0000 | |
| 256 | A | A | -1.3830 | |
| 257 | S | A | -0.7223 | |
| 258 | T | A | -0.4431 | |
| 259 | R | A | 0.0000 | |
| 260 | S | A | -0.3315 | |
| 261 | S | A | -0.0481 | |
| 262 | F | A | 0.0000 | |
| 263 | T | A | 0.0000 | |
| 264 | V | A | 0.0000 | |
| 265 | Q | A | -1.2215 | |
| 266 | D | A | -2.1912 | |
| 267 | L | A | 0.0000 | |
| 268 | K | A | -1.4236 | |
| 269 | P | A | -0.2245 | |
| 270 | F | A | 0.7544 | |
| 271 | T | A | -0.5308 | |
| 272 | E | A | -1.6111 | |
| 273 | Y | A | 0.0000 | |
| 274 | V | A | -1.0216 | |
| 275 | F | A | 0.0000 | |
| 276 | R | A | -1.0994 | |
| 277 | I | A | 0.0000 | |
| 278 | R | A | -1.0496 | |
| 279 | C | A | 0.0000 | |
| 280 | M | A | 0.0000 | |
| 281 | K | A | -1.3380 | |
| 282 | E | A | -2.2260 | |
| 283 | D | A | -2.2517 | |
| 284 | G | A | -2.0266 | |
| 285 | K | A | -2.1859 | |
| 286 | G | A | -0.7784 | |
| 287 | Y | A | 0.2901 | |
| 288 | W | A | 0.0007 | |
| 289 | S | A | 0.0000 | |
| 290 | D | A | -1.8360 | |
| 291 | W | A | -1.4084 | |
| 292 | S | A | 0.0000 | |
| 293 | E | A | -2.2797 | |
| 294 | E | A | -2.3132 | |
| 295 | A | A | 0.0000 | |
| 296 | S | A | -0.6555 | |
| 297 | G | A | 0.1935 | |
| 298 | I | A | 0.9456 | |
| 299 | T | A | 0.0000 | |
| 300 | Y | A | 0.0938 | |
| 301 | E | A | -0.0827 | |
| 302 | D | A | -0.2475 | |
| 303 | R | A | -1.3259 | |
| 304 | P | A | 0.0000 | |
| 305 | S | A | -1.3793 | |
| 306 | K | A | -2.3875 | |
| 307 | A | A | -1.3571 | |
| 308 | P | A | 0.0000 | |
| 309 | S | A | -0.3832 | |
| 310 | F | A | 0.5024 | |
| 311 | W | A | 0.5791 | |
| 312 | Y | A | 0.0718 | |
| 313 | K | A | -1.1206 | |
| 314 | I | A | -0.6406 | |
| 315 | D | A | -1.6724 | |
| 316 | P | A | -1.3288 | |
| 317 | S | A | -1.3207 | |
| 318 | H | A | -1.6671 | |
| 319 | T | A | -1.2880 | |
| 320 | Q | A | -1.4927 | |
| 321 | G | A | -1.1919 | |
| 322 | Y | A | -1.1414 | |
| 323 | R | A | -1.2546 | |
| 324 | T | A | -1.0393 | |
| 325 | V | A | 0.0000 | |
| 326 | Q | A | -0.8806 | |
| 327 | L | A | 0.0000 | |
| 328 | V | A | -0.6187 | |
| 329 | W | A | 0.0000 | |
| 330 | K | A | -1.7821 | |
| 331 | T | A | -0.8958 | |
| 332 | L | A | 0.0000 | |
| 333 | P | A | 0.1218 | |
| 334 | P | A | 0.6680 | |
| 335 | F | A | 1.7021 | |
| 336 | E | A | 0.0000 | |
| 337 | A | A | 0.0000 | |
| 338 | N | A | 0.0000 | |
| 339 | G | A | -0.0054 | |
| 340 | K | A | -0.8913 | |
| 341 | I | A | -0.0238 | |
| 342 | L | A | 0.3049 | |
| 343 | D | A | -0.6176 | |
| 344 | Y | A | 0.0000 | |
| 345 | E | A | -0.8667 | |
| 346 | V | A | 0.0000 | |
| 347 | T | A | -0.5099 | |
| 348 | L | A | 0.0000 | |
| 349 | T | A | -0.7416 | |
| 350 | R | A | -1.3687 | |
| 351 | W | A | -0.5774 | |
| 352 | K | A | -1.4409 | |
| 353 | S | A | -1.1604 | |
| 354 | H | A | -1.2696 | |
| 355 | L | A | -0.4901 | |
| 356 | Q | A | -1.3985 | |
| 357 | N | A | -1.4205 | |
| 358 | Y | A | -0.3606 | |
| 359 | T | A | -0.4080 | |
| 360 | V | A | -0.7238 | |
| 361 | N | A | -1.2425 | |
| 362 | A | A | -0.8867 | |
| 363 | T | A | -1.0998 | |
| 364 | K | A | -1.3590 | |
| 365 | L | A | 0.0000 | |
| 366 | T | A | -0.3875 | |
| 367 | V | A | -0.4589 | |
| 368 | N | A | -1.3026 | |
| 369 | L | A | -1.1012 | |
| 370 | T | A | -1.5895 | |
| 371 | N | A | -2.2341 | |
| 372 | D | A | -2.6562 | |
| 373 | R | A | -2.4163 | |
| 374 | Y | A | -1.1147 | |
| 375 | L | A | 0.6195 | |
| 376 | A | A | 0.0000 | |
| 377 | T | A | 0.3982 | |
| 378 | L | A | 0.0000 | |
| 379 | T | A | -1.0934 | |
| 380 | V | A | 0.0000 | |
| 381 | R | A | -1.1374 | |
| 382 | N | A | 0.0000 | |
| 383 | L | A | 1.7559 | |
| 384 | V | A | 1.6617 | |
| 385 | G | A | -0.1306 | |
| 386 | K | A | -1.5236 | |
| 387 | S | A | 0.0000 | |
| 388 | D | A | -2.3504 | |
| 389 | A | A | -0.7425 | |
| 390 | A | A | 0.4026 | |
| 391 | V | A | 1.8591 | |
| 392 | L | A | 1.4109 | |
| 393 | T | A | 0.3783 | |
| 394 | I | A | 0.5293 | |
| 395 | P | A | -0.1669 | |
| 396 | A | A | -0.7452 | |
| 397 | C | A | -0.2431 | |
| 398 | D | A | -0.5099 | |
| 399 | F | A | 1.2906 | |
| 14 | P | B | -1.6988 | |
| 15 | R | B | -2.4655 | |
| 16 | A | B | -1.4300 | |
| 17 | E | B | -1.5437 | |
| 18 | L | B | 0.0000 | |
| 19 | D | B | -1.3147 | |
| 20 | S | B | -0.7003 | |
| 21 | T | B | 0.0000 | |
| 22 | V | B | 0.0000 | |
| 23 | L | B | 0.0740 | |
| 24 | L | B | 0.0000 | |
| 25 | T | B | 0.0000 | |
| 26 | R | B | -0.8750 | |
| 27 | S | B | -0.3771 | |
| 28 | L | B | 0.0000 | |
| 29 | L | B | 0.0000 | |
| 30 | A | B | -0.9849 | |
| 31 | D | B | -1.1711 | |
| 32 | T | B | 0.0000 | |
| 33 | R | B | -1.2716 | |
| 34 | Q | B | -1.7359 | |
| 35 | L | B | 0.0000 | |
| 36 | A | B | -1.3657 | |
| 37 | A | B | -1.8165 | |
| 38 | Q | B | -2.2352 | |
| 39 | L | B | 0.0000 | |
| 40 | R | B | -2.9613 | |
| 41 | D | B | -3.5705 | |
| 42 | K | B | -3.0452 | |
| 43 | F | B | 0.0000 | |
| 44 | P | B | 0.0000 | |
| 45 | A | B | 0.0000 | |
| 46 | D | B | -1.3416 | |
| 47 | G | B | -1.2943 | |
| 48 | D | B | -1.6494 | |
| 49 | H | B | -1.2087 | |
| 50 | N | B | -0.8817 | |
| 51 | L | B | -0.9383 | |
| 52 | D | B | -1.6055 | |
| 53 | S | B | -0.6840 | |
| 54 | L | B | -0.2972 | |
| 55 | P | B | -0.2304 | |
| 56 | T | B | 0.0062 | |
| 57 | L | B | 0.1144 | |
| 58 | A | B | 0.1317 | |
| 59 | M | B | 0.0690 | |
| 60 | S | B | -0.3969 | |
| 61 | A | B | 0.0000 | |
| 62 | G | B | -0.7902 | |
| 63 | A | B | -0.1142 | |
| 64 | L | B | 0.0000 | |
| 65 | G | B | -0.1068 | |
| 66 | A | B | 0.0789 | |
| 67 | L | B | 0.1495 | |
| 68 | Q | B | -0.7769 | |
| 69 | L | B | -0.1902 | |
| 70 | P | B | -0.6966 | |
| 71 | G | B | -0.8256 | |
| 72 | V | B | 0.0000 | |
| 73 | L | B | 0.0000 | |
| 74 | T | B | -0.9600 | |
| 75 | R | B | -1.2299 | |
| 76 | L | B | 0.0000 | |
| 77 | R | B | -0.8077 | |
| 78 | A | B | -0.5765 | |
| 79 | D | B | 0.0000 | |
| 80 | L | B | 0.0000 | |
| 81 | L | B | -0.4638 | |
| 82 | S | B | -0.4392 | |
| 83 | Y | B | 0.0000 | |
| 84 | L | B | 0.0000 | |
| 85 | R | B | -1.6783 | |
| 86 | H | B | 0.0000 | |
| 87 | V | B | 0.0000 | |
| 88 | Q | B | -2.1142 | |
| 89 | W | B | -1.7234 | |
| 90 | L | B | 0.0000 | |
| 91 | R | B | -3.2357 | |
| 92 | R | B | -2.8350 | |
| 93 | A | B | -1.5298 | |
| 94 | G | B | -1.7120 | |
| 95 | G | B | -1.1782 | |
| 96 | S | B | -1.0551 | |
| 97 | S | B | -0.7271 | |
| 98 | L | B | 0.0000 | |
| 99 | K | B | -2.5929 | |
| 100 | T | B | -1.7389 | |
| 101 | L | B | 0.0000 | |
| 102 | E | B | -2.8840 | |
| 103 | P | B | -2.0576 | |
| 104 | E | B | -1.9692 | |
| 105 | L | B | 0.0000 | |
| 106 | G | B | -1.3019 | |
| 107 | T | B | -0.9558 | |
| 108 | L | B | 0.0000 | |
| 109 | Q | B | -0.9470 | |
| 110 | A | B | -0.2897 | |
| 111 | R | B | -0.5682 | |
| 112 | L | B | 0.0000 | |
| 113 | D | B | -0.9579 | |
| 114 | R | B | -0.8963 | |
| 115 | L | B | 0.0000 | |
| 116 | L | B | 0.0000 | |
| 117 | R | B | -1.7889 | |
| 118 | R | B | 0.0000 | |
| 119 | L | B | 0.0000 | |
| 120 | Q | B | -1.5953 | |
| 121 | L | B | -0.9510 | |
| 122 | L | B | 0.0000 | |
| 123 | M | B | 0.0000 | |
| 124 | S | B | -1.3535 | |
| 125 | R | B | -1.9239 | |
| 126 | L | B | -0.7110 | |
| 127 | A | B | -0.7143 | |
| 128 | L | B | 0.0000 | |
| 129 | P | B | -0.8711 | |
| 130 | Q | B | -1.6094 | |
| 131 | P | B | -1.2574 | |
| 132 | P | B | -1.2905 | |
| 133 | P | B | -1.5333 | |
| 134 | D | B | -2.1818 | |
| 135 | P | B | -1.3595 | |
| 136 | P | B | -1.0852 | |
| 137 | A | B | -0.6787 | |
| 138 | P | B | -0.3404 | |
| 139 | P | B | -0.3910 | |
| 140 | L | B | 0.0261 | |
| 141 | A | B | 0.0194 | |
| 142 | P | B | -0.5073 | |
| 143 | P | B | -0.5255 | |
| 144 | S | B | -0.6029 | |
| 145 | S | B | -0.4116 | |
| 146 | A | B | -0.4977 | |
| 147 | W | B | 0.0000 | |
| 148 | G | B | -0.5733 | |
| 149 | G | B | 0.0000 | |
| 150 | I | B | 0.0000 | |
| 151 | R | B | -0.7879 | |
| 152 | A | B | 0.0000 | |
| 153 | A | B | 0.0000 | |
| 154 | H | B | 0.0000 | |
| 155 | A | B | 0.0000 | |
| 156 | I | B | 0.0000 | |
| 157 | L | B | 0.0000 | |
| 158 | G | B | -0.3571 | |
| 159 | G | B | -0.0464 | |
| 160 | L | B | 0.0000 | |
| 161 | H | B | -0.3656 | |
| 162 | L | B | 0.1332 | |
| 163 | T | B | 0.0000 | |
| 164 | L | B | 0.0000 | |
| 165 | D | B | 0.0000 | |
| 166 | W | B | 0.0000 | |
| 167 | A | B | 0.0000 | |
| 168 | V | B | 0.0000 | |
| 169 | R | B | 0.0000 | |
| 170 | G | B | 0.0000 | |
| 171 | L | B | 0.0000 | |
| 172 | L | B | 0.0000 | |
| 173 | L | B | 0.0000 | |
| 174 | L | B | 0.0000 | |
| 175 | K | B | -1.4603 | |
| 176 | T | B | -1.1585 | |
| 177 | R | B | -2.0760 | |
| 178 | L | B | -1.2927 | |
| 3 | P | C | -0.4089 | |
| 4 | C | C | -0.4600 | |
| 5 | P | C | -0.7287 | |
| 6 | Q | C | -1.4125 | |
| 7 | A | C | -0.7946 | |
| 8 | W | C | -0.3902 | |
| 9 | G | C | -0.6229 | |
| 10 | P | C | -0.6965 | |
| 11 | P | C | -0.8223 | |
| 12 | G | C | -0.8210 | |
| 13 | V | C | -0.4919 | |
| 14 | Q | C | -0.7045 | |
| 15 | Y | C | -0.3294 | |
| 16 | G | C | -0.8747 | |
| 17 | Q | C | -0.7467 | |
| 18 | P | C | -1.8306 | |
| 19 | G | C | -2.2850 | |
| 20 | R | C | -2.6952 | |
| 21 | S | C | -1.9296 | |
| 22 | V | C | -1.3797 | |
| 23 | K | C | -1.7690 | |
| 24 | L | C | 0.0000 | |
| 25 | C | C | -0.9850 | |
| 26 | C | C | 0.0000 | |
| 27 | P | C | -0.8166 | |
| 28 | G | C | -0.3961 | |
| 29 | V | C | -0.3683 | |
| 30 | T | C | -0.6228 | |
| 31 | A | C | -0.8096 | |
| 32 | G | C | -1.1284 | |
| 33 | D | C | -1.1460 | |
| 34 | P | C | -0.6461 | |
| 35 | V | C | 0.0000 | |
| 36 | S | C | 0.0000 | |
| 37 | W | C | 0.0000 | |
| 38 | F | C | -0.8737 | |
| 39 | R | C | -1.9404 | |
| 40 | D | C | -2.6116 | |
| 41 | G | C | -2.4050 | |
| 42 | E | C | -2.9579 | |
| 43 | P | C | -2.0202 | |
| 44 | K | C | -1.9743 | |
| 45 | L | C | -0.3974 | |
| 46 | L | C | -0.2655 | |
| 47 | Q | C | -1.2892 | |
| 48 | G | C | -1.3472 | |
| 49 | P | C | -1.3636 | |
| 50 | D | C | -2.2552 | |
| 51 | S | C | -1.2528 | |
| 52 | G | C | -0.9836 | |
| 53 | L | C | -0.3884 | |
| 54 | G | C | -1.2471 | |
| 55 | H | C | -1.2302 | |
| 56 | E | C | -1.7318 | |
| 57 | L | C | 0.0000 | |
| 58 | V | C | -1.3062 | |
| 59 | L | C | 0.0000 | |
| 60 | A | C | -1.5232 | |
| 61 | Q | C | -2.1910 | |
| 62 | A | C | 0.0000 | |
| 63 | D | C | -2.8829 | |
| 64 | S | C | -1.7087 | |
| 65 | T | C | -1.1937 | |
| 66 | D | C | 0.0000 | |
| 67 | E | C | -1.6035 | |
| 68 | G | C | -1.1386 | |
| 69 | T | C | -0.9096 | |
| 70 | Y | C | 0.0000 | |
| 71 | I | C | -0.0039 | |
| 72 | C | C | 0.0000 | |
| 73 | Q | C | 0.3435 | |
| 74 | T | C | 0.0199 | |
| 75 | L | C | 0.5562 | |
| 76 | D | C | -1.1145 | |
| 77 | G | C | -0.5040 | |
| 78 | A | C | 0.2127 | |
| 79 | L | C | 1.2423 | |
| 80 | G | C | 0.3716 | |
| 81 | G | C | 0.1219 | |
| 82 | T | C | 0.0414 | |
| 83 | V | C | 0.0000 | |
| 84 | T | C | -0.3836 | |
| 85 | L | C | 0.0000 | |
| 86 | Q | C | -0.9996 | |
| 87 | L | C | -0.6410 | |
| 88 | G | C | 0.6095 | |
| 89 | Y | C | 1.4417 | |
| 90 | P | C | 0.5725 | |
| 91 | P | C | 0.0000 | |
| 92 | A | C | -0.5419 | |
| 93 | R | C | -1.9294 | |
| 94 | P | C | 0.0000 | |
| 95 | V | C | 0.8988 | |
| 96 | V | C | 0.3079 | |
| 97 | S | C | -0.1266 | |
| 98 | C | C | -0.6918 | |
| 99 | Q | C | -1.2383 | |
| 100 | A | C | 0.0000 | |
| 101 | A | C | -1.2297 | |
| 102 | D | C | -1.1019 | |
| 103 | Y | C | -0.6711 | |
| 104 | E | C | -1.6594 | |
| 105 | N | C | -1.5124 | |
| 106 | F | C | 0.0000 | |
| 107 | S | C | -0.8806 | |
| 108 | C | C | 0.0000 | |
| 109 | T | C | -0.6431 | |
| 110 | W | C | 0.0000 | |
| 111 | S | C | 0.0828 | |
| 112 | P | C | 0.0030 | |
| 113 | S | C | -0.3483 | |
| 114 | Q | C | -0.0883 | |
| 115 | I | C | 1.5771 | |
| 116 | S | C | 0.9165 | |
| 117 | G | C | 0.1897 | |
| 118 | L | C | 0.0000 | |
| 119 | P | C | -0.3939 | |
| 120 | T | C | -0.4933 | |
| 121 | R | C | -1.1278 | |
| 122 | Y | C | 0.2262 | |
| 123 | L | C | 1.0627 | |
| 124 | T | C | 0.0000 | |
| 125 | S | C | -0.2028 | |
| 126 | Y | C | 0.0000 | |
| 127 | R | C | -1.6581 | |
| 128 | K | C | -1.3654 | |
| 129 | K | C | -1.3068 | |
| 130 | T | C | -1.0412 | |
| 131 | V | C | -0.2235 | |
| 132 | L | C | -0.0248 | |
| 133 | G | C | -0.4881 | |
| 134 | A | C | -0.7193 | |
| 135 | D | C | -1.6053 | |
| 136 | S | C | -2.0642 | |
| 137 | Q | C | -3.1981 | |
| 138 | R | C | -3.5977 | |
| 139 | R | C | -3.4009 | |
| 140 | S | C | -1.9361 | |
| 141 | P | C | -1.3282 | |
| 142 | S | C | -1.9149 | |
| 143 | T | C | -1.8905 | |
| 144 | G | C | -1.5372 | |
| 145 | P | C | -0.6477 | |
| 146 | W | C | -0.2684 | |
| 147 | P | C | -0.0832 | |
| 148 | C | C | 0.0000 | |
| 149 | P | C | -0.6915 | |
| 150 | Q | C | -1.0681 | |
| 151 | D | C | -1.7599 | |
| 152 | P | C | -0.5227 | |
| 153 | L | C | 0.3086 | |
| 154 | G | C | -0.3625 | |
| 155 | A | C | -0.7145 | |
| 156 | A | C | -0.9374 | |
| 157 | R | C | -1.8869 | |
| 158 | C | C | 0.0000 | |
| 159 | V | C | -0.6814 | |
| 160 | V | C | 0.0000 | |
| 161 | H | C | -1.5481 | |
| 162 | G | C | -1.4114 | |
| 163 | A | C | 0.0000 | |
| 164 | E | C | -0.8356 | |
| 165 | F | C | 0.0000 | |
| 166 | W | C | 0.0000 | |
| 167 | S | C | -0.4420 | |
| 168 | Q | C | -1.2773 | |
| 169 | Y | C | 0.0000 | |
| 170 | R | C | -1.0952 | |
| 171 | I | C | 0.0000 | |
| 172 | N | C | -0.5522 | |
| 173 | V | C | 0.0000 | |
| 174 | T | C | -0.1625 | |
| 175 | E | C | 0.0000 | |
| 176 | V | C | -0.0425 | |
| 177 | N | C | 0.0000 | |
| 178 | P | C | 0.0107 | |
| 179 | L | C | 0.6805 | |
| 180 | G | C | 0.1019 | |
| 181 | A | C | -0.0615 | |
| 182 | S | C | -0.7726 | |
| 183 | T | C | -0.4276 | |
| 184 | R | C | -0.5573 | |
| 185 | L | C | 0.0270 | |
| 186 | L | C | -0.1269 | |
| 187 | D | C | -0.8689 | |
| 188 | V | C | 0.0000 | |
| 189 | S | C | -0.4493 | |
| 190 | L | C | 0.0000 | |
| 191 | Q | C | 0.0000 | |
| 192 | S | C | -0.4268 | |
| 193 | I | C | -0.3297 | |
| 194 | L | C | 0.0000 | |
| 195 | R | C | -1.5417 | |
| 196 | P | C | 0.0000 | |
| 197 | D | C | -1.9494 | |
| 198 | P | C | -1.1568 | |
| 199 | P | C | 0.0000 | |
| 200 | Q | C | -1.5650 | |
| 201 | G | C | -1.4091 | |
| 202 | L | C | 0.0000 | |
| 203 | R | C | -2.8026 | |
| 204 | V | C | -1.7914 | |
| 205 | E | C | -2.3084 | |
| 206 | S | C | -1.1081 | |
| 207 | V | C | -0.4922 | |
| 208 | P | C | -0.5346 | |
| 209 | G | C | -0.3423 | |
| 210 | Y | C | 0.2237 | |
| 211 | P | C | -0.4006 | |
| 212 | R | C | -0.6254 | |
| 213 | R | C | -0.8185 | |
| 214 | L | C | 0.0000 | |
| 215 | R | C | -1.8488 | |
| 216 | A | C | 0.0000 | |
| 217 | S | C | -1.9099 | |
| 218 | W | C | 0.0000 | |
| 219 | T | C | -0.6582 | |
| 220 | Y | C | -0.1790 | |
| 221 | P | C | 0.0000 | |
| 222 | A | C | -0.4210 | |
| 223 | S | C | -0.5876 | |
| 224 | W | C | 0.0000 | |
| 225 | P | C | -0.3715 | |
| 226 | S | C | -0.4577 | |
| 227 | Q | C | -0.7395 | |
| 228 | P | C | -0.4506 | |
| 229 | H | C | -0.3252 | |
| 230 | F | C | 0.0000 | |
| 231 | L | C | 0.3142 | |
| 232 | L | C | 0.0000 | |
| 233 | K | C | -1.0034 | |
| 234 | F | C | 0.0000 | |
| 235 | R | C | -1.3362 | |
| 236 | L | C | 0.0000 | |
| 237 | Q | C | -0.6851 | |
| 238 | Y | C | 0.0000 | |
| 239 | R | C | -0.3754 | |
| 240 | P | C | 0.0000 | |
| 241 | A | C | -0.7417 | |
| 242 | Q | C | -1.8893 | |
| 243 | H | C | 0.0000 | |
| 244 | P | C | -0.7367 | |
| 245 | A | C | -0.0633 | |
| 246 | W | C | 0.0921 | |
| 247 | S | C | 0.0000 | |
| 248 | T | C | -0.5509 | |
| 249 | V | C | 0.0000 | |
| 250 | E | C | -2.0953 | |
| 251 | P | C | 0.0000 | |
| 252 | A | C | -1.0505 | |
| 253 | G | C | -0.9577 | |
| 254 | L | C | -0.7763 | |
| 255 | E | C | -2.0313 | |
| 256 | E | C | -1.1921 | |
| 257 | V | C | -0.1700 | |
| 258 | I | C | 0.0000 | |
| 259 | T | C | -0.5100 | |
| 260 | D | C | 0.0000 | |
| 261 | A | C | 0.0000 | |
| 262 | V | C | 0.0000 | |
| 263 | A | C | -0.5995 | |
| 264 | G | C | -0.5570 | |
| 265 | L | C | 0.0075 | |
| 266 | P | C | -0.0621 | |
| 267 | H | C | 0.0000 | |
| 268 | A | C | 0.0000 | |
| 269 | V | C | 0.0000 | |
| 270 | R | C | -0.8834 | |
| 271 | V | C | 0.0000 | |
| 272 | S | C | 0.0000 | |
| 273 | A | C | 0.0000 | |
| 274 | R | C | -0.8666 | |
| 275 | D | C | 0.0000 | |
| 276 | F | C | 0.0000 | |
| 277 | L | C | 0.0000 | |
| 278 | D | C | -0.8409 | |
| 279 | A | C | 0.0000 | |
| 280 | G | C | 0.0000 | |
| 281 | T | C | -0.3717 | |
| 282 | W | C | -0.4726 | |
| 283 | S | C | 0.0000 | |
| 284 | T | C | -0.4040 | |
| 285 | W | C | -0.3141 | |
| 286 | S | C | 0.0000 | |
| 287 | P | C | -1.3360 | |
| 288 | E | C | -1.9650 | |
| 289 | A | C | 0.0000 | |
| 290 | W | C | 0.0145 | |
| 291 | G | C | -0.4171 | |
| 292 | T | C | -0.3477 | |
| 293 | P | C | 0.0000 | |
| 294 | S | C | -0.6661 | |
| 295 | T | C | -0.5259 | |
| 296 | G | C | -0.5724 | |
| 2 | L | D | 0.6131 | |
| 3 | L | D | -0.0615 | |
| 4 | D | D | -1.6032 | |
| 5 | P | D | -0.6518 | |
| 6 | C | D | -0.6449 | |
| 7 | G | D | -0.4068 | |
| 8 | Y | D | 0.9621 | |
| 9 | I | D | 0.0000 | |
| 10 | S | D | -0.3563 | |
| 11 | P | D | -0.8213 | |
| 12 | E | D | -1.8113 | |
| 13 | S | D | -0.9934 | |
| 14 | P | D | -0.2676 | |
| 15 | V | D | 0.5961 | |
| 16 | V | D | 0.1795 | |
| 17 | Q | D | -0.3952 | |
| 18 | L | D | -0.5626 | |
| 19 | H | D | -1.9573 | |
| 20 | S | D | -1.7010 | |
| 21 | N | D | -1.9732 | |
| 22 | F | D | 0.0000 | |
| 23 | T | D | -0.2480 | |
| 24 | A | D | 0.0000 | |
| 25 | V | D | 0.9935 | |
| 26 | C | D | 0.0000 | |
| 27 | V | D | 0.1254 | |
| 28 | L | D | 0.0000 | |
| 29 | K | D | -2.4491 | |
| 30 | E | D | -3.5511 | |
| 31 | K | D | -3.0790 | |
| 32 | C | D | 0.0000 | |
| 33 | M | D | -2.5750 | |
| 34 | D | D | -2.9858 | |
| 35 | Y | D | -0.9388 | |
| 36 | F | D | -0.1715 | |
| 37 | H | D | -0.9799 | |
| 38 | V | D | 0.0000 | |
| 39 | N | D | -1.6280 | |
| 40 | A | D | 0.0000 | |
| 41 | N | D | -0.9354 | |
| 42 | Y | D | 0.2351 | |
| 43 | I | D | 0.0000 | |
| 44 | V | D | -0.1274 | |
| 45 | W | D | 0.0000 | |
| 46 | K | D | -0.1293 | |
| 47 | T | D | -0.3859 | |
| 48 | N | D | -1.7371 | |
| 49 | H | D | -1.3797 | |
| 50 | F | D | 0.9520 | |
| 51 | T | D | 0.1512 | |
| 52 | I | D | 0.0000 | |
| 53 | P | D | -1.3992 | |
| 54 | K | D | -2.7113 | |
| 55 | E | D | -2.8590 | |
| 56 | Q | D | -1.8253 | |
| 57 | Y | D | -0.8225 | |
| 58 | T | D | 0.1692 | |
| 59 | I | D | 1.0018 | |
| 60 | I | D | 1.5289 | |
| 61 | N | D | -0.8751 | |
| 62 | R | D | -2.0539 | |
| 63 | T | D | -1.4744 | |
| 64 | A | D | 0.0000 | |
| 65 | S | D | 0.0000 | |
| 66 | S | D | 0.0000 | |
| 67 | V | D | 0.0000 | |
| 68 | T | D | -0.2491 | |
| 69 | F | D | -0.7797 | |
| 70 | T | D | -1.4927 | |
| 71 | D | D | -2.5688 | |
| 72 | I | D | 0.0000 | |
| 73 | A | D | -0.6546 | |
| 74 | S | D | -0.2425 | |
| 75 | L | D | 0.1693 | |
| 76 | N | D | -0.3319 | |
| 77 | I | D | -0.1545 | |
| 78 | Q | D | 0.0000 | |
| 79 | L | D | 0.0000 | |
| 80 | T | D | 0.0000 | |
| 81 | C | D | 0.0000 | |
| 82 | N | D | 0.0000 | |
| 83 | I | D | 0.0000 | |
| 84 | L | D | 0.2953 | |
| 85 | T | D | 0.0000 | |
| 86 | F | D | 1.5287 | |
| 87 | G | D | 0.3181 | |
| 88 | Q | D | -1.0173 | |
| 89 | L | D | -0.4473 | |
| 90 | E | D | -0.8435 | |
| 91 | Q | D | -0.7340 | |
| 92 | N | D | -0.7950 | |
| 93 | V | D | 0.0000 | |
| 94 | Y | D | 0.4181 | |
| 95 | G | D | 0.0000 | |
| 96 | I | D | 0.0000 | |
| 97 | T | D | -0.2081 | |
| 98 | I | D | 0.0000 | |
| 99 | I | D | 0.4765 | |
| 100 | S | D | 0.0000 | |
| 101 | G | D | 0.0000 | |
| 102 | L | D | -0.1690 | |
| 103 | P | D | -1.0233 | |
| 104 | P | D | -1.9784 | |
| 105 | E | D | -2.9847 | |
| 106 | K | D | -3.2170 | |
| 107 | P | D | 0.0000 | |
| 108 | K | D | -3.6892 | |
| 109 | N | D | -2.7755 | |
| 110 | L | D | -1.9649 | |
| 111 | S | D | -1.1554 | |
| 112 | C | D | 0.0000 | |
| 113 | I | D | 0.0000 | |
| 114 | V | D | 0.0000 | |
| 115 | N | D | -1.5915 | |
| 116 | E | D | -1.5274 | |
| 117 | G | D | -1.9447 | |
| 118 | K | D | -2.5933 | |
| 119 | K | D | -2.3239 | |
| 120 | M | D | 0.0000 | |
| 121 | R | D | -1.5026 | |
| 122 | C | D | 0.0000 | |
| 123 | E | D | -2.1037 | |
| 124 | W | D | 0.0000 | |
| 125 | D | D | -3.2023 | |
| 126 | G | D | -2.8936 | |
| 127 | G | D | -3.1017 | |
| 128 | R | D | -3.3440 | |
| 129 | E | D | -3.1273 | |
| 130 | T | D | -1.9916 | |
| 131 | H | D | -1.8561 | |
| 132 | L | D | -1.2963 | |
| 133 | E | D | -2.5394 | |
| 134 | T | D | -2.0113 | |
| 135 | N | D | -2.5595 | |
| 136 | F | D | -2.0906 | |
| 137 | T | D | -1.8925 | |
| 138 | L | D | 0.0000 | |
| 139 | K | D | -1.5982 | |
| 140 | S | D | 0.0000 | |
| 141 | E | D | -1.6716 | |
| 142 | W | D | -0.8988 | |
| 143 | A | D | -0.3676 | |
| 144 | T | D | -0.6336 | |
| 145 | H | D | -1.1983 | |
| 146 | K | D | -1.6576 | |
| 147 | F | D | 0.0000 | |
| 148 | A | D | -1.6960 | |
| 149 | D | D | -2.7174 | |
| 150 | C | D | 0.0000 | |
| 151 | K | D | -3.1806 | |
| 152 | A | D | -2.7729 | |
| 153 | K | D | -3.7677 | |
| 154 | R | D | -4.1484 | |
| 155 | D | D | -3.3016 | |
| 156 | T | D | -2.2818 | |
| 157 | P | D | -2.4217 | |
| 158 | T | D | -1.6431 | |
| 159 | S | D | -1.8163 | |
| 160 | C | D | 0.0000 | |
| 161 | T | D | -1.7064 | |
| 162 | V | D | 0.0000 | |
| 163 | D | D | -2.3709 | |
| 164 | Y | D | -1.0937 | |
| 165 | S | D | -1.1725 | |
| 166 | T | D | -0.7665 | |
| 167 | V | D | 0.0000 | |
| 168 | Y | D | 0.0924 | |
| 169 | F | D | 0.0565 | |
| 170 | V | D | 0.0000 | |
| 171 | N | D | -1.6273 | |
| 172 | I | D | 0.0000 | |
| 173 | E | D | -1.3718 | |
| 174 | V | D | 0.0000 | |
| 175 | W | D | 0.0000 | |
| 176 | V | D | 0.0000 | |
| 177 | E | D | -1.5725 | |
| 178 | A | D | 0.0000 | |
| 179 | E | D | -2.5607 | |
| 180 | N | D | 0.0000 | |
| 181 | A | D | -0.5723 | |
| 182 | L | D | -0.1405 | |
| 183 | G | D | -1.1031 | |
| 184 | K | D | -2.4000 | |
| 185 | V | D | -1.5867 | |
| 186 | T | D | -1.6513 | |
| 187 | S | D | 0.0000 | |
| 188 | D | D | -2.6980 | |
| 189 | H | D | -1.6960 | |
| 190 | I | D | -0.7934 | |
| 191 | N | D | -1.4675 | |
| 192 | F | D | -0.7634 | |
| 193 | D | D | -0.7513 | |
| 194 | P | D | 0.0000 | |
| 195 | V | D | 0.0000 | |
| 196 | Y | D | -0.3433 | |
| 197 | K | D | -0.4577 | |
| 198 | V | D | 0.0000 | |
| 199 | K | D | -0.8784 | |
| 200 | P | D | 0.0000 | |
| 201 | N | D | -1.4092 | |
| 202 | P | D | -1.3670 | |
| 203 | P | D | 0.0000 | |
| 204 | H | D | -1.8703 | |
| 205 | N | D | -1.7758 | |
| 206 | L | D | -1.4049 | |
| 207 | S | D | -0.5634 | |
| 208 | V | D | 0.3551 | |
| 209 | I | D | 0.4754 | |
| 210 | N | D | -0.6712 | |
| 211 | S | D | 0.0000 | |
| 212 | E | D | -2.6561 | |
| 213 | E | D | -2.5931 | |
| 214 | L | D | -1.0227 | |
| 215 | S | D | 0.0000 | |
| 216 | S | D | -1.2038 | |
| 217 | I | D | 0.0000 | |
| 218 | L | D | 0.0000 | |
| 219 | K | D | -0.0989 | |
| 220 | L | D | 0.0000 | |
| 221 | T | D | -0.1403 | |
| 222 | W | D | 0.0000 | |
| 223 | T | D | -0.6471 | |
| 224 | N | D | 0.0000 | |
| 225 | P | D | 0.0000 | |
| 226 | S | D | -0.8316 | |
| 227 | I | D | 0.0000 | |
| 228 | K | D | -0.9806 | |
| 229 | S | D | -0.6672 | |
| 230 | V | D | -0.0720 | |
| 231 | I | D | 0.0000 | |
| 232 | I | D | 0.2409 | |
| 233 | L | D | 0.0000 | |
| 234 | K | D | -1.0763 | |
| 235 | Y | D | 0.0000 | |
| 236 | N | D | -0.8346 | |
| 237 | I | D | 0.0000 | |
| 238 | Q | D | -0.6585 | |
| 239 | Y | D | -0.4181 | |
| 240 | R | D | -1.2721 | |
| 241 | T | D | -2.1123 | |
| 242 | K | D | -3.0877 | |
| 243 | D | D | -2.9330 | |
| 244 | A | D | -1.5082 | |
| 245 | S | D | -0.9330 | |
| 246 | T | D | -0.3488 | |
| 247 | W | D | -0.2075 | |
| 248 | S | D | -0.6207 | |
| 249 | Q | D | -1.1660 | |
| 250 | I | D | 0.0000 | |
| 251 | P | D | -1.0741 | |
| 252 | P | D | -1.3512 | |
| 253 | E | D | -1.9927 | |
| 254 | D | D | 0.0000 | |
| 255 | T | D | 0.0000 | |
| 256 | A | D | -1.1998 | |
| 257 | S | D | -0.6006 | |
| 258 | T | D | -0.4721 | |
| 259 | R | D | 0.0000 | |
| 260 | S | D | -0.2832 | |
| 261 | S | D | 0.0000 | |
| 262 | F | D | 0.0000 | |
| 263 | T | D | 0.0000 | |
| 264 | V | D | 0.0000 | |
| 265 | Q | D | -1.2799 | |
| 266 | D | D | -2.2199 | |
| 267 | L | D | 0.0000 | |
| 268 | K | D | -1.6300 | |
| 269 | P | D | -0.5929 | |
| 270 | F | D | 0.1087 | |
| 271 | T | D | -0.8971 | |
| 272 | E | D | -1.9266 | |
| 273 | Y | D | 0.0000 | |
| 274 | V | D | -1.1642 | |
| 275 | F | D | 0.0000 | |
| 276 | R | D | -1.3855 | |
| 277 | I | D | 0.0000 | |
| 278 | R | D | -1.1059 | |
| 279 | C | D | 0.0000 | |
| 280 | M | D | 0.0000 | |
| 281 | K | D | -1.3775 | |
| 282 | E | D | -2.0463 | |
| 283 | D | D | -2.7503 | |
| 284 | G | D | -2.0557 | |
| 285 | K | D | -1.9271 | |
| 286 | G | D | -0.7215 | |
| 287 | Y | D | 0.3496 | |
| 288 | W | D | 0.0671 | |
| 289 | S | D | 0.0000 | |
| 290 | D | D | -1.9409 | |
| 291 | W | D | -1.6223 | |
| 292 | S | D | 0.0000 | |
| 293 | E | D | -3.2439 | |
| 294 | E | D | -2.7882 | |
| 295 | A | D | 0.0000 | |
| 296 | S | D | -0.7025 | |
| 297 | G | D | 0.0231 | |
| 298 | I | D | 0.7388 | |
| 299 | T | D | 0.0000 | |
| 300 | Y | D | -0.0964 | |
| 301 | E | D | -0.3182 | |
| 302 | D | D | -0.8012 | |
| 303 | R | D | -1.4672 | |
| 304 | P | D | 0.0000 | |
| 305 | S | D | -1.4203 | |
| 306 | K | D | -2.3702 | |
| 307 | A | D | -1.3591 | |
| 308 | P | D | 0.0000 | |
| 309 | S | D | -0.3799 | |
| 310 | F | D | 0.5117 | |
| 311 | W | D | 0.6486 | |
| 312 | Y | D | 0.3041 | |
| 313 | K | D | -0.6560 | |
| 314 | I | D | -0.3947 | |
| 315 | D | D | -1.5573 | |
| 316 | P | D | -1.2807 | |
| 317 | S | D | -1.2574 | |
| 318 | H | D | -1.6417 | |
| 319 | T | D | -1.2594 | |
| 320 | Q | D | -1.4708 | |
| 321 | G | D | -1.1636 | |
| 322 | Y | D | -1.1024 | |
| 323 | R | D | 0.0000 | |
| 324 | T | D | -0.8775 | |
| 325 | V | D | 0.0000 | |
| 326 | Q | D | -0.6171 | |
| 327 | L | D | 0.0000 | |
| 328 | V | D | -0.4441 | |
| 329 | W | D | 0.0000 | |
| 330 | K | D | -1.7648 | |
| 331 | T | D | -0.8976 | |
| 332 | L | D | 0.0000 | |
| 333 | P | D | 0.1355 | |
| 334 | P | D | 0.6092 | |
| 335 | F | D | 1.6137 | |
| 336 | E | D | 0.0000 | |
| 337 | A | D | 0.0000 | |
| 338 | N | D | 0.0000 | |
| 339 | G | D | -0.1696 | |
| 340 | K | D | -0.8517 | |
| 341 | I | D | 0.0775 | |
| 342 | L | D | 0.4494 | |
| 343 | D | D | -0.5694 | |
| 344 | Y | D | 0.0000 | |
| 345 | E | D | -0.8739 | |
| 346 | V | D | 0.0000 | |
| 347 | T | D | -0.4696 | |
| 348 | L | D | 0.0000 | |
| 349 | T | D | -0.8767 | |
| 350 | R | D | -1.6919 | |
| 351 | W | D | -0.7732 | |
| 352 | K | D | -1.5139 | |
| 353 | S | D | -1.2513 | |
| 354 | H | D | -1.2911 | |
| 355 | L | D | -0.4844 | |
| 356 | Q | D | -1.3634 | |
| 357 | N | D | -1.3598 | |
| 358 | Y | D | -0.2495 | |
| 359 | T | D | -0.3593 | |
| 360 | V | D | -0.6857 | |
| 361 | N | D | -1.2041 | |
| 362 | A | D | -0.8390 | |
| 363 | T | D | -1.0206 | |
| 364 | K | D | -1.1790 | |
| 365 | L | D | -0.3274 | |
| 366 | T | D | -0.2895 | |
| 367 | V | D | -0.3881 | |
| 368 | N | D | -1.2536 | |
| 369 | L | D | -1.1605 | |
| 370 | T | D | -1.7132 | |
| 371 | N | D | -2.4149 | |
| 372 | D | D | -3.1173 | |
| 373 | R | D | -2.8229 | |
| 374 | Y | D | 0.0000 | |
| 375 | L | D | 0.4236 | |
| 376 | A | D | 0.0000 | |
| 377 | T | D | 0.3787 | |
| 378 | L | D | 0.0000 | |
| 379 | T | D | -1.1253 | |
| 380 | V | D | 0.0000 | |
| 381 | R | D | -1.2075 | |
| 382 | N | D | 0.0000 | |
| 383 | L | D | 1.7066 | |
| 384 | V | D | 1.5074 | |
| 385 | G | D | -0.2322 | |
| 386 | K | D | -1.5489 | |
| 387 | S | D | 0.0000 | |
| 388 | D | D | -2.3645 | |
| 389 | A | D | -0.7387 | |
| 390 | A | D | 0.4055 | |
| 391 | V | D | 1.8426 | |
| 392 | L | D | 1.3329 | |
| 393 | T | D | 0.2231 | |
| 394 | I | D | 0.0000 | |
| 395 | P | D | -0.3696 | |
| 396 | A | D | -0.9310 | |
| 397 | C | D | -0.3086 | |
| 398 | D | D | -0.5093 | |
| 399 | F | D | 1.2660 | |
| 14 | P | E | -1.4043 | |
| 15 | R | E | -2.1858 | |
| 16 | A | E | -1.1846 | |
| 17 | E | E | -1.2103 | |
| 18 | L | E | 0.0000 | |
| 19 | D | E | -1.0928 | |
| 20 | S | E | -0.5922 | |
| 21 | T | E | 0.0000 | |
| 22 | V | E | 0.0000 | |
| 23 | L | E | -0.0078 | |
| 24 | L | E | 0.0000 | |
| 25 | T | E | 0.0000 | |
| 26 | R | E | -0.8464 | |
| 27 | S | E | -0.4046 | |
| 28 | L | E | 0.0000 | |
| 29 | L | E | 0.0000 | |
| 30 | A | E | -1.1776 | |
| 31 | D | E | -1.3413 | |
| 32 | T | E | 0.0000 | |
| 33 | R | E | -1.9503 | |
| 34 | Q | E | -1.8937 | |
| 35 | L | E | 0.0000 | |
| 36 | A | E | -1.5892 | |
| 37 | A | E | -2.0143 | |
| 38 | Q | E | -2.3922 | |
| 39 | L | E | 0.0000 | |
| 40 | R | E | -3.0740 | |
| 41 | D | E | -3.7228 | |
| 42 | K | E | -3.3705 | |
| 43 | F | E | 0.0000 | |
| 44 | P | E | 0.0000 | |
| 45 | A | E | 0.0000 | |
| 46 | D | E | -1.3501 | |
| 47 | G | E | -1.2775 | |
| 48 | D | E | -1.5419 | |
| 49 | H | E | -1.1903 | |
| 50 | N | E | -0.9853 | |
| 51 | L | E | -0.9384 | |
| 52 | D | E | -1.5276 | |
| 53 | S | E | -0.6962 | |
| 54 | L | E | -0.3575 | |
| 55 | P | E | -0.3076 | |
| 56 | T | E | 0.0208 | |
| 57 | L | E | 0.0804 | |
| 58 | A | E | 0.1376 | |
| 59 | M | E | 0.0886 | |
| 60 | S | E | -0.3893 | |
| 61 | A | E | -0.3508 | |
| 62 | G | E | -0.7622 | |
| 63 | A | E | -0.0836 | |
| 64 | L | E | 0.0493 | |
| 65 | G | E | -0.0943 | |
| 66 | A | E | -0.0033 | |
| 67 | L | E | -0.0289 | |
| 68 | Q | E | -0.8306 | |
| 69 | L | E | -0.1973 | |
| 70 | P | E | -0.6349 | |
| 71 | G | E | -0.6467 | |
| 72 | V | E | 0.0000 | |
| 73 | L | E | 0.0000 | |
| 74 | T | E | -0.9829 | |
| 75 | R | E | -1.4125 | |
| 76 | L | E | 0.0000 | |
| 77 | R | E | -0.9325 | |
| 78 | A | E | -0.7625 | |
| 79 | D | E | -0.5482 | |
| 80 | L | E | 0.0000 | |
| 81 | L | E | -0.6582 | |
| 82 | S | E | -0.6212 | |
| 83 | Y | E | 0.0000 | |
| 84 | L | E | 0.0000 | |
| 85 | R | E | -2.0023 | |
| 86 | H | E | 0.0000 | |
| 87 | V | E | 0.0000 | |
| 88 | Q | E | -2.2809 | |
| 89 | W | E | 0.0000 | |
| 90 | L | E | 0.0000 | |
| 91 | R | E | -3.2225 | |
| 92 | R | E | -2.8829 | |
| 93 | A | E | -1.5672 | |
| 94 | G | E | -1.7433 | |
| 95 | G | E | -1.1814 | |
| 96 | S | E | -1.0567 | |
| 97 | S | E | -0.7286 | |
| 98 | L | E | 0.0000 | |
| 99 | K | E | -2.3934 | |
| 100 | T | E | -1.5485 | |
| 101 | L | E | 0.0000 | |
| 102 | E | E | -2.2270 | |
| 103 | P | E | -1.6649 | |
| 104 | E | E | -1.7026 | |
| 105 | L | E | 0.0000 | |
| 106 | G | E | -1.1505 | |
| 107 | T | E | -0.8704 | |
| 108 | L | E | 0.0000 | |
| 109 | Q | E | -0.9877 | |
| 110 | A | E | -0.2841 | |
| 111 | R | E | -0.5798 | |
| 112 | L | E | 0.0000 | |
| 113 | D | E | -1.0358 | |
| 114 | R | E | -0.9110 | |
| 115 | L | E | 0.0000 | |
| 116 | L | E | 0.0000 | |
| 117 | R | E | -1.8940 | |
| 118 | R | E | 0.0000 | |
| 119 | L | E | 0.0000 | |
| 120 | Q | E | -1.5294 | |
| 121 | L | E | -0.9473 | |
| 122 | L | E | 0.0000 | |
| 123 | M | E | 0.0000 | |
| 124 | S | E | -1.3070 | |
| 125 | R | E | -1.8396 | |
| 126 | L | E | -0.5529 | |
| 127 | A | E | -0.6786 | |
| 128 | L | E | 0.0000 | |
| 129 | P | E | -0.8647 | |
| 130 | Q | E | -1.5884 | |
| 131 | P | E | -1.2529 | |
| 132 | P | E | -1.2888 | |
| 133 | P | E | -1.5325 | |
| 134 | D | E | -2.1782 | |
| 135 | P | E | -1.3595 | |
| 136 | P | E | -1.1142 | |
| 137 | A | E | -0.7133 | |
| 138 | P | E | -0.3425 | |
| 139 | P | E | -0.4491 | |
| 140 | L | E | -0.0396 | |
| 141 | A | E | 0.0011 | |
| 142 | P | E | -0.5272 | |
| 143 | P | E | -0.5325 | |
| 144 | S | E | -0.5860 | |
| 145 | S | E | -0.4339 | |
| 146 | A | E | -0.5183 | |
| 147 | W | E | 0.0000 | |
| 148 | G | E | -0.5683 | |
| 149 | G | E | 0.0000 | |
| 150 | I | E | 0.0000 | |
| 151 | R | E | -0.8541 | |
| 152 | A | E | 0.0000 | |
| 153 | A | E | 0.0000 | |
| 154 | H | E | 0.0000 | |
| 155 | A | E | 0.0000 | |
| 156 | I | E | 0.0000 | |
| 157 | L | E | 0.0000 | |
| 158 | G | E | -0.5450 | |
| 159 | G | E | -0.1523 | |
| 160 | L | E | 0.0000 | |
| 161 | H | E | -0.6739 | |
| 162 | L | E | -0.0230 | |
| 163 | T | E | 0.0000 | |
| 164 | L | E | 0.0000 | |
| 165 | D | E | 0.0000 | |
| 166 | W | E | 0.0000 | |
| 167 | A | E | 0.0000 | |
| 168 | V | E | 0.0000 | |
| 169 | R | E | 0.0000 | |
| 170 | G | E | 0.0000 | |
| 171 | L | E | 0.0000 | |
| 172 | L | E | 0.0000 | |
| 173 | L | E | 0.0000 | |
| 174 | L | E | 0.0000 | |
| 175 | K | E | -1.2896 | |
| 176 | T | E | -1.0137 | |
| 177 | R | E | -1.7661 | |
| 178 | L | E | -0.6060 | |
| 3 | P | F | -0.4272 | |
| 4 | C | F | -0.5253 | |
| 5 | P | F | -0.7365 | |
| 6 | Q | F | -1.4114 | |
| 7 | A | F | -0.7848 | |
| 8 | W | F | -0.3758 | |
| 9 | G | F | -0.6203 | |
| 10 | P | F | -0.6905 | |
| 11 | P | F | -0.8089 | |
| 12 | G | F | -0.7970 | |
| 13 | V | F | -0.4881 | |
| 14 | Q | F | -0.6740 | |
| 15 | Y | F | -0.3477 | |
| 16 | G | F | -0.8875 | |
| 17 | Q | F | -0.7216 | |
| 18 | P | F | -1.8200 | |
| 19 | G | F | -2.2689 | |
| 20 | R | F | -2.6847 | |
| 21 | S | F | -1.9158 | |
| 22 | V | F | -1.3615 | |
| 23 | K | F | -1.8002 | |
| 24 | L | F | 0.0000 | |
| 25 | C | F | -1.1038 | |
| 26 | C | F | 0.0000 | |
| 27 | P | F | -0.8537 | |
| 28 | G | F | -0.3947 | |
| 29 | V | F | -0.3828 | |
| 30 | T | F | -0.6358 | |
| 31 | A | F | -0.8593 | |
| 32 | G | F | -1.1717 | |
| 33 | D | F | -1.1800 | |
| 34 | P | F | -0.7054 | |
| 35 | V | F | 0.0000 | |
| 36 | S | F | 0.0000 | |
| 37 | W | F | 0.0000 | |
| 38 | F | F | -0.4955 | |
| 39 | R | F | -1.5873 | |
| 40 | D | F | -2.3757 | |
| 41 | G | F | -2.0612 | |
| 42 | E | F | -2.1627 | |
| 43 | P | F | -1.4951 | |
| 44 | K | F | -1.4194 | |
| 45 | L | F | 0.4246 | |
| 46 | L | F | 0.0925 | |
| 47 | Q | F | -1.1264 | |
| 48 | G | F | -1.3779 | |
| 49 | P | F | -1.3656 | |
| 50 | D | F | -2.2972 | |
| 51 | S | F | -1.2770 | |
| 52 | G | F | -0.9777 | |
| 53 | L | F | -0.4420 | |
| 54 | G | F | -1.3418 | |
| 55 | H | F | -1.3898 | |
| 56 | E | F | -1.9756 | |
| 57 | L | F | 0.0000 | |
| 58 | V | F | -1.3228 | |
| 59 | L | F | 0.0000 | |
| 60 | A | F | -1.5075 | |
| 61 | Q | F | -2.1794 | |
| 62 | A | F | 0.0000 | |
| 63 | D | F | -2.9190 | |
| 64 | S | F | -1.7800 | |
| 65 | T | F | -1.2691 | |
| 66 | D | F | 0.0000 | |
| 67 | E | F | -1.8579 | |
| 68 | G | F | -1.2639 | |
| 69 | T | F | -0.9591 | |
| 70 | Y | F | 0.0000 | |
| 71 | I | F | 0.0151 | |
| 72 | C | F | 0.0000 | |
| 73 | Q | F | 0.3476 | |
| 74 | T | F | 0.0129 | |
| 75 | L | F | 0.5544 | |
| 76 | D | F | -1.1154 | |
| 77 | G | F | -0.5032 | |
| 78 | A | F | 0.2135 | |
| 79 | L | F | 1.2460 | |
| 80 | G | F | 0.3749 | |
| 81 | G | F | 0.1283 | |
| 82 | T | F | 0.0444 | |
| 83 | V | F | 0.0000 | |
| 84 | T | F | -0.4335 | |
| 85 | L | F | 0.0000 | |
| 86 | Q | F | -1.0927 | |
| 87 | L | F | -0.6860 | |
| 88 | G | F | 0.0000 | |
| 89 | Y | F | 1.4755 | |
| 90 | P | F | 0.5626 | |
| 91 | P | F | 0.1057 | |
| 92 | A | F | -0.5161 | |
| 93 | R | F | -1.9156 | |
| 94 | P | F | 0.0000 | |
| 95 | V | F | 0.8642 | |
| 96 | V | F | 0.3064 | |
| 97 | S | F | -0.1361 | |
| 98 | C | F | -0.7115 | |
| 99 | Q | F | -1.2491 | |
| 100 | A | F | 0.0000 | |
| 101 | A | F | -1.2305 | |
| 102 | D | F | -1.0945 | |
| 103 | Y | F | -0.6745 | |
| 104 | E | F | -1.6495 | |
| 105 | N | F | -1.4892 | |
| 106 | F | F | 0.0000 | |
| 107 | S | F | -0.8685 | |
| 108 | C | F | 0.0000 | |
| 109 | T | F | -0.6478 | |
| 110 | W | F | 0.0000 | |
| 111 | S | F | 0.0944 | |
| 112 | P | F | 0.0433 | |
| 113 | S | F | -0.2865 | |
| 114 | Q | F | 0.0474 | |
| 115 | I | F | 1.6475 | |
| 116 | S | F | 0.9660 | |
| 117 | G | F | 0.2174 | |
| 118 | L | F | 0.0000 | |
| 119 | P | F | -0.3793 | |
| 120 | T | F | -0.4851 | |
| 121 | R | F | -1.1428 | |
| 122 | Y | F | 0.2041 | |
| 123 | L | F | 1.0630 | |
| 124 | T | F | 0.0000 | |
| 125 | S | F | -0.0772 | |
| 126 | Y | F | -0.7298 | |
| 127 | R | F | -1.5045 | |
| 128 | K | F | -1.3646 | |
| 129 | K | F | -1.0690 | |
| 130 | T | F | -0.6722 | |
| 131 | V | F | 0.0346 | |
| 132 | L | F | 0.2335 | |
| 133 | G | F | -0.3734 | |
| 134 | A | F | -0.4868 | |
| 135 | D | F | -1.6774 | |
| 136 | S | F | -2.0270 | |
| 137 | Q | F | -3.0466 | |
| 138 | R | F | -3.1460 | |
| 139 | R | F | -3.1852 | |
| 140 | S | F | -1.8253 | |
| 141 | P | F | -1.2693 | |
| 142 | S | F | -1.8601 | |
| 143 | T | F | -1.7874 | |
| 144 | G | F | -1.4583 | |
| 145 | P | F | -0.5852 | |
| 146 | W | F | -0.2730 | |
| 147 | P | F | -0.0890 | |
| 148 | C | F | 0.0000 | |
| 149 | P | F | -0.6997 | |
| 150 | Q | F | -1.0691 | |
| 151 | D | F | -1.7597 | |
| 152 | P | F | -0.5266 | |
| 153 | L | F | 0.3033 | |
| 154 | G | F | -0.3712 | |
| 155 | A | F | -0.7290 | |
| 156 | A | F | -0.9458 | |
| 157 | R | F | -1.8836 | |
| 158 | C | F | 0.0000 | |
| 159 | V | F | -0.6381 | |
| 160 | V | F | 0.0000 | |
| 161 | H | F | -1.5371 | |
| 162 | G | F | -1.4145 | |
| 163 | A | F | 0.0000 | |
| 164 | E | F | -0.8936 | |
| 165 | F | F | 0.0000 | |
| 166 | W | F | 0.0000 | |
| 167 | S | F | -0.4378 | |
| 168 | Q | F | -1.2744 | |
| 169 | Y | F | 0.0000 | |
| 170 | R | F | -1.1662 | |
| 171 | I | F | 0.0000 | |
| 172 | N | F | -0.3003 | |
| 173 | V | F | 0.0000 | |
| 174 | T | F | -0.1119 | |
| 175 | E | F | 0.0000 | |
| 176 | V | F | -0.0569 | |
| 177 | N | F | 0.0000 | |
| 178 | P | F | 0.0235 | |
| 179 | L | F | 0.7028 | |
| 180 | G | F | 0.1061 | |
| 181 | A | F | -0.0650 | |
| 182 | S | F | -0.7774 | |
| 183 | T | F | -0.4453 | |
| 184 | R | F | -0.5931 | |
| 185 | L | F | -0.0921 | |
| 186 | L | F | -0.2028 | |
| 187 | D | F | -0.9900 | |
| 188 | V | F | 0.0000 | |
| 189 | S | F | -0.4979 | |
| 190 | L | F | 0.0000 | |
| 191 | Q | F | 0.0000 | |
| 192 | S | F | -0.4261 | |
| 193 | I | F | -0.3501 | |
| 194 | L | F | 0.0000 | |
| 195 | R | F | -1.5427 | |
| 196 | P | F | 0.0000 | |
| 197 | D | F | -1.9323 | |
| 198 | P | F | 0.0000 | |
| 199 | P | F | 0.0000 | |
| 200 | Q | F | -1.5231 | |
| 201 | G | F | -1.3801 | |
| 202 | L | F | 0.0000 | |
| 203 | R | F | -2.8524 | |
| 204 | V | F | -2.0175 | |
| 205 | E | F | -2.5460 | |
| 206 | S | F | -1.3026 | |
| 207 | V | F | 0.0000 | |
| 208 | P | F | -0.4931 | |
| 209 | G | F | -0.1777 | |
| 210 | Y | F | 0.6448 | |
| 211 | P | F | -0.1257 | |
| 212 | R | F | -0.2754 | |
| 213 | R | F | -0.5425 | |
| 214 | L | F | 0.0000 | |
| 215 | R | F | -2.4687 | |
| 216 | A | F | 0.0000 | |
| 217 | S | F | -2.0297 | |
| 218 | W | F | 0.0000 | |
| 219 | T | F | -0.6358 | |
| 220 | Y | F | -0.1584 | |
| 221 | P | F | 0.0000 | |
| 222 | A | F | -0.4111 | |
| 223 | S | F | -0.5830 | |
| 224 | W | F | 0.0000 | |
| 225 | P | F | -0.3705 | |
| 226 | S | F | -0.4613 | |
| 227 | Q | F | -0.7601 | |
| 228 | P | F | -0.4743 | |
| 229 | H | F | -0.2881 | |
| 230 | F | F | 0.0000 | |
| 231 | L | F | 0.4312 | |
| 232 | L | F | 0.0000 | |
| 233 | K | F | -0.8034 | |
| 234 | F | F | 0.0000 | |
| 235 | R | F | -1.5718 | |
| 236 | L | F | 0.0000 | |
| 237 | Q | F | 0.0000 | |
| 238 | Y | F | 0.0000 | |
| 239 | R | F | -0.3223 | |
| 240 | P | F | -0.5314 | |
| 241 | A | F | -0.7594 | |
| 242 | Q | F | -1.9005 | |
| 243 | H | F | 0.0000 | |
| 244 | P | F | -0.7324 | |
| 245 | A | F | -0.0647 | |
| 246 | W | F | 0.1414 | |
| 247 | S | F | 0.0000 | |
| 248 | T | F | -0.5365 | |
| 249 | V | F | 0.0000 | |
| 250 | E | F | -2.0925 | |
| 251 | P | F | 0.0000 | |
| 252 | A | F | -1.0534 | |
| 253 | G | F | -0.9278 | |
| 254 | L | F | -0.7765 | |
| 255 | E | F | -2.2450 | |
| 256 | E | F | -1.5895 | |
| 257 | V | F | -0.7628 | |
| 258 | I | F | 0.0000 | |
| 259 | T | F | -0.3410 | |
| 260 | D | F | 0.0000 | |
| 261 | A | F | 0.0000 | |
| 262 | V | F | 0.0000 | |
| 263 | A | F | -0.4812 | |
| 264 | G | F | -0.5398 | |
| 265 | L | F | 0.0001 | |
| 266 | P | F | -0.0812 | |
| 267 | H | F | 0.0000 | |
| 268 | A | F | 0.0000 | |
| 269 | V | F | 0.0000 | |
| 270 | R | F | -0.8729 | |
| 271 | V | F | 0.0000 | |
| 272 | S | F | 0.0000 | |
| 273 | A | F | 0.0000 | |
| 274 | R | F | -0.7986 | |
| 275 | D | F | 0.0000 | |
| 276 | F | F | -0.0087 | |
| 277 | L | F | 0.0000 | |
| 278 | D | F | -0.5963 | |
| 279 | A | F | 0.0000 | |
| 280 | G | F | -0.4657 | |
| 281 | T | F | -0.3171 | |
| 282 | W | F | -0.3748 | |
| 283 | S | F | 0.0000 | |
| 284 | T | F | -0.3667 | |
| 285 | W | F | -0.2870 | |
| 286 | S | F | 0.0000 | |
| 287 | P | F | -1.3081 | |
| 288 | E | F | -1.9387 | |
| 289 | A | F | 0.0000 | |
| 290 | W | F | -0.0626 | |
| 291 | G | F | -0.5185 | |
| 292 | T | F | -0.3698 | |
| 293 | P | F | 0.0000 | |
| 294 | S | F | -0.6093 | |
| 295 | T | F | -0.4745 | |
| 296 | G | F | -0.5193 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
pH |
Average A3D Score |
Max A3D Score |
|||
| 4.0 | -0.4128 | 5.2566 | View | CSV | PDB |
| 4.5 | -0.4726 | 5.2612 | View | CSV | PDB |
| 5.0 | -0.5429 | 5.2738 | View | CSV | PDB |
| 5.5 | -0.6114 | 5.3011 | View | CSV | PDB |
| 6.0 | -0.6665 | 5.3451 | View | CSV | PDB |
| 6.5 | -0.701 | 5.3999 | View | CSV | PDB |
| 7.0 | -0.7169 | 5.4596 | View | CSV | PDB |
| 7.5 | -0.7217 | 5.5209 | View | CSV | PDB |
| 8.0 | -0.7198 | 5.5825 | View | CSV | PDB |
| 8.5 | -0.7107 | 5.6434 | View | CSV | PDB |
| 9.0 | -0.6921 | 5.702 | 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