FMODB: The database of quantum mechanical data based on the FMO method
Last updated: 2025-10-17
All entries: 77277
Number of unique PDB entries: 32023
FMODB ID: KZ3V3
Calculation Name: 5A9Q-5-Other549
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 5A9Q
Chain ID: 5
UniProt ID: P57740
Base Structure: ElectronMicroscopy
Registration Date: 2025-10-12
Reference: Sci Data 11, 1164 (2024).
DOI: https://doi.org/10.1038/s41597-024-03999-2
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptH |
| Protonation | MOE:Protonate 3D |
| Complement | ac.sh, 23 2024 Oct |
| Water | No |
| Procedure | Manual calculation |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 444 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -7846818.337519 |
|---|---|
| FMO2-HF: Nuclear repulsion | 7667701.008265 |
| FMO2-HF: Total energy | -179117.329254 |
| FMO2-MP2: Total energy | -179644.395473 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(5:277:GLY)
Summations of interaction energy for
fragment #1(5:277:GLY)
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| -121.721 | -119.661 | 0.004 | -0.686 | -1.377 | -0.003 |
Interaction energy analysis for fragmet #1(5:277:GLY)
| frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 3 | 5 | 279 | GLN | 0 | 0.039 | 0.021 | 3.852 | 4.765 | 5.889 | -0.002 | -0.418 | -0.703 | -0.001 |
| 4 | 5 | 280 | LEU | 0 | -0.005 | 0.004 | 3.352 | 5.792 | 6.451 | 0.007 | -0.223 | -0.443 | -0.002 |
| 5 | 5 | 281 | ASN | 0 | 0.009 | 0.003 | 4.545 | 8.247 | 8.524 | -0.001 | -0.045 | -0.231 | 0.000 |
| 6 | 5 | 282 | GLY | 0 | 0.049 | 0.024 | 6.139 | 5.424 | 5.424 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | 5 | 283 | SER | 0 | -0.012 | -0.009 | 7.876 | 4.543 | 4.543 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | 5 | 284 | HIS | 0 | -0.028 | -0.014 | 8.747 | 2.804 | 2.804 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | 5 | 285 | GLU | -1 | -0.954 | -0.977 | 10.297 | -22.014 | -22.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | 5 | 286 | LEU | 0 | -0.020 | -0.013 | 12.254 | 1.937 | 1.937 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | 5 | 287 | GLU | -1 | -0.958 | -0.981 | 13.456 | -19.236 | -19.236 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | 5 | 288 | ASN | 0 | -0.043 | -0.024 | 14.691 | 1.967 | 1.967 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | 5 | 289 | HIS | 0 | -0.047 | -0.024 | 16.264 | 1.145 | 1.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | 5 | 290 | GLN | 0 | -0.026 | -0.006 | 18.197 | 1.176 | 1.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | 5 | 291 | ILE | 0 | -0.044 | 0.002 | 16.885 | 0.690 | 0.690 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | 5 | 292 | ALA | 0 | 0.033 | 0.002 | 18.721 | -0.628 | -0.628 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | 5 | 293 | ASP | -1 | -0.807 | -0.897 | 20.113 | -14.420 | -14.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | 5 | 294 | SER | 0 | -0.036 | -0.008 | 21.978 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | 5 | 295 | MET | 0 | 0.000 | -0.020 | 25.754 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | 5 | 296 | GLU | -1 | -0.905 | -0.957 | 27.632 | -9.640 | -9.640 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | 5 | 297 | PHE | 0 | -0.035 | -0.012 | 31.250 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | 5 | 298 | GLY | 0 | 0.062 | 0.042 | 33.879 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | 5 | 299 | PHE | 0 | -0.025 | -0.020 | 36.161 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | 5 | 300 | LEU | 0 | 0.026 | 0.005 | 37.406 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | 5 | 301 | PRO | 0 | -0.027 | -0.035 | 40.101 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | 5 | 302 | ASN | 0 | 0.000 | 0.011 | 41.719 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | 5 | 303 | PRO | 0 | -0.024 | 0.003 | 38.821 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | 5 | 304 | VAL | 0 | 0.009 | 0.021 | 35.486 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | 5 | 305 | ALA | 0 | -0.008 | -0.002 | 32.717 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | 5 | 306 | VAL | 0 | 0.050 | 0.029 | 30.187 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | 5 | 307 | LYS | 1 | 0.799 | 0.889 | 23.194 | 13.530 | 13.530 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | 5 | 308 | PRO | 0 | -0.015 | 0.002 | 26.166 | -0.496 | -0.496 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | 5 | 309 | LEU | 0 | -0.017 | -0.032 | 19.844 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | 5 | 310 | THR | 0 | -0.038 | -0.050 | 23.155 | -0.618 | -0.618 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | 5 | 311 | GLU | -1 | -0.876 | -0.915 | 25.579 | -11.246 | -11.246 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | 5 | 312 | SER | 0 | -0.018 | 0.011 | 28.288 | 0.461 | 0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | 5 | 313 | PRO | 0 | -0.003 | -0.005 | 27.084 | -0.456 | -0.456 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | 5 | 314 | PHE | 0 | -0.022 | -0.013 | 26.483 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | 5 | 315 | LYS | 1 | 0.855 | 0.931 | 20.267 | 15.037 | 15.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | 5 | 316 | VAL | 0 | -0.018 | -0.011 | 25.798 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | 5 | 317 | HIS | 0 | 0.006 | 0.002 | 29.193 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | 5 | 318 | LEU | 0 | -0.002 | -0.005 | 32.533 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | 5 | 319 | GLU | -1 | -0.894 | -0.955 | 35.925 | -8.257 | -8.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | 5 | 320 | LYS | 1 | 0.885 | 0.940 | 38.132 | 7.006 | 7.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | 5 | 321 | LEU | 0 | 0.016 | 0.013 | 41.052 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | 5 | 322 | SER | 0 | -0.021 | -0.002 | 42.311 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | 5 | 323 | LEU | 0 | -0.020 | 0.024 | 44.300 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | 5 | 324 | ARG | 1 | 0.853 | 0.910 | 43.134 | 7.455 | 7.455 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | 5 | 325 | GLN | 0 | -0.025 | -0.024 | 49.196 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | 5 | 326 | ARG | 1 | 0.798 | 0.889 | 51.381 | 6.169 | 6.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | 5 | 327 | LYS | 0 | -0.008 | 0.017 | 54.516 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | 5 | 328 | PRO | 0 | -0.073 | -0.046 | 52.174 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | 5 | 329 | ASP | -1 | -0.745 | -0.868 | 51.354 | -6.332 | -6.332 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | 5 | 330 | GLU | -1 | -0.722 | -0.875 | 54.021 | -5.409 | -5.409 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | 5 | 331 | ASP | -1 | -0.909 | -0.953 | 56.942 | -5.683 | -5.683 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | 5 | 332 | MET | 0 | -0.074 | 0.012 | 58.917 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | 5 | 333 | LYS | 0 | -0.067 | 0.017 | 55.367 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | 5 | 334 | LEU | 0 | 0.018 | 0.014 | 52.921 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | 5 | 335 | TYR | 0 | -0.017 | -0.013 | 56.491 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | 5 | 336 | GLN | 0 | 0.002 | -0.004 | 58.610 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | 5 | 337 | THR | 0 | 0.002 | 0.005 | 60.681 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | 5 | 338 | PRO | 0 | 0.025 | 0.018 | 62.465 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | 5 | 339 | LEU | 0 | -0.005 | 0.028 | 59.462 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | 5 | 340 | GLU | -1 | -0.790 | -0.880 | 63.331 | -4.839 | -4.839 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | 5 | 341 | LEU | 0 | -0.086 | -0.021 | 65.829 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | 5 | 342 | LYS | 1 | 0.835 | 0.904 | 63.622 | 5.191 | 5.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | 5 | 343 | LEU | 0 | -0.031 | -0.009 | 63.812 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | 5 | 344 | LYS | 1 | 0.928 | 0.961 | 67.083 | 4.467 | 4.467 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | 5 | 345 | HIS | 1 | 0.813 | 0.933 | 69.616 | 4.767 | 4.767 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | 5 | 346 | SER | 0 | 0.013 | -0.013 | 67.560 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | 5 | 347 | THR | 0 | -0.040 | -0.035 | 69.978 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | 5 | 348 | VAL | 0 | 0.054 | 0.046 | 66.301 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | 5 | 349 | HIS | 1 | 0.846 | 0.915 | 69.157 | 4.612 | 4.612 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | 5 | 350 | VAL | 0 | 0.004 | -0.008 | 68.158 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | 5 | 351 | ASP | 0 | 0.014 | 0.018 | 65.549 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | 5 | 352 | GLU | 0 | -0.067 | -0.048 | 66.334 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | 5 | 353 | LEU | 0 | 0.009 | 0.010 | 60.669 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | 5 | 354 | CYS | 0 | 0.005 | 0.009 | 59.409 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | 5 | 355 | PRO | 0 | 0.039 | 0.000 | 61.021 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | 5 | 356 | LEU | 0 | 0.031 | 0.027 | 63.782 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | 5 | 357 | ILE | 0 | 0.065 | 0.061 | 65.752 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | 5 | 358 | VAL | 0 | -0.040 | -0.041 | 68.693 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | 5 | 359 | PRO | 0 | 0.063 | 0.009 | 71.168 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | 5 | 360 | ASN | 0 | -0.029 | 0.040 | 66.990 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | 5 | 361 | LEU | 0 | 0.053 | 0.014 | 67.323 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | 5 | 362 | GLY | 0 | -0.001 | -0.014 | 70.482 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | 5 | 363 | VAL | 0 | -0.092 | -0.047 | 73.604 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | 5 | 364 | ALA | 0 | -0.001 | -0.011 | 69.822 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | 5 | 365 | VAL | 0 | 0.005 | 0.015 | 71.890 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | 5 | 366 | ILE | 0 | 0.035 | 0.024 | 68.140 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | 5 | 367 | HIS | 1 | 0.796 | 0.876 | 70.679 | 4.359 | 4.359 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | 5 | 368 | ASP | -1 | -0.857 | -0.949 | 68.809 | -4.750 | -4.750 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | 5 | 369 | TYR | 0 | 0.024 | -0.014 | 62.265 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | 5 | 370 | ALA | 0 | 0.001 | 0.033 | 68.180 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | 5 | 371 | ASP | -1 | -0.820 | -0.926 | 69.695 | -4.524 | -4.524 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | 5 | 372 | TRP | 0 | -0.033 | -0.016 | 67.788 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | 5 | 373 | VAL | 0 | -0.033 | -0.012 | 62.801 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | 5 | 374 | LYS | 1 | 0.687 | 0.851 | 64.777 | 4.930 | 4.930 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | 5 | 375 | GLU | -1 | -0.791 | -0.909 | 67.264 | -4.750 | -4.750 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | 5 | 376 | ALA | 0 | -0.049 | -0.042 | 69.119 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | 5 | 377 | SER | 0 | -0.095 | -0.067 | 69.685 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | 5 | 378 | GLY | 0 | 0.018 | -0.003 | 69.101 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | 5 | 379 | ASP | -1 | -0.916 | -0.934 | 65.619 | -4.850 | -4.850 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | 5 | 380 | LEU | 0 | -0.012 | -0.009 | 59.431 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | 5 | 381 | PRO | 0 | 0.012 | 0.009 | 61.800 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | 5 | 382 | GLU | -1 | -0.753 | -0.848 | 64.817 | -4.669 | -4.669 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | 5 | 383 | ALA | 0 | 0.001 | -0.015 | 65.165 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | 5 | 384 | GLN | 0 | -0.081 | -0.071 | 66.086 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | 5 | 385 | ILE | 0 | -0.001 | -0.006 | 67.830 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | 5 | 386 | VAL | 0 | -0.031 | -0.011 | 68.914 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | 5 | 387 | LYS | 0 | -0.020 | 0.010 | 60.924 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | 5 | 388 | HIS | 0 | 0.062 | 0.006 | 65.192 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | 5 | 389 | TRP | 0 | -0.007 | 0.006 | 61.848 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | 5 | 390 | SER | 0 | 0.008 | 0.006 | 65.852 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | 5 | 391 | LEU | 0 | -0.018 | 0.024 | 69.153 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | 5 | 392 | THR | 0 | 0.053 | 0.004 | 66.718 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | 5 | 393 | TRP | 0 | 0.021 | 0.029 | 68.162 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | 5 | 394 | THR | 0 | -0.026 | -0.059 | 69.900 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | 5 | 395 | LEU | 0 | -0.020 | -0.007 | 72.645 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | 5 | 396 | CYS | 0 | 0.026 | 0.017 | 70.955 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | 5 | 397 | GLU | 0 | -0.061 | -0.036 | 73.047 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | 5 | 398 | ALA | 0 | -0.040 | -0.022 | 75.377 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | 5 | 399 | LEU | 0 | 0.013 | 0.020 | 73.987 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | 5 | 400 | TRP | 0 | -0.029 | 0.008 | 72.096 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | 5 | 401 | GLY | 0 | 0.003 | 0.003 | 75.816 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | 5 | 402 | HIS | 0 | -0.038 | -0.020 | 77.081 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | 5 | 403 | LEU | 0 | 0.020 | 0.025 | 80.454 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | 5 | 404 | LYS | 1 | 0.928 | 0.960 | 83.234 | 3.867 | 3.867 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | 5 | 405 | GLU | 0 | 0.068 | 0.034 | 85.432 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | 5 | 406 | LEU | 0 | -0.073 | -0.043 | 88.888 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | 5 | 407 | ASP | -1 | -0.885 | -0.939 | 90.832 | -3.385 | -3.385 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | 5 | 408 | SER | 0 | -0.059 | -0.011 | 94.237 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | 5 | 409 | GLN | 0 | 0.045 | 0.008 | 94.977 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | 5 | 410 | LEU | 0 | -0.047 | -0.020 | 97.112 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | 5 | 411 | ASN | 0 | 0.015 | -0.020 | 94.124 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | 5 | 412 | GLU | -1 | -0.893 | -0.927 | 94.222 | -3.431 | -3.431 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | 5 | 413 | PRO | 0 | 0.003 | -0.003 | 93.677 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | 5 | 414 | ARG | 1 | 0.895 | 0.934 | 88.563 | 3.660 | 3.660 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | 5 | 415 | GLU | -1 | -0.948 | -0.971 | 88.005 | -3.774 | -3.774 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | 5 | 416 | TYR | -1 | -0.958 | -0.974 | 89.644 | -3.502 | -3.502 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | 5 | 417 | ILE | 0 | 0.004 | -0.001 | 91.374 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | 5 | 418 | GLN | 0 | 0.028 | 0.017 | 84.408 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | 5 | 419 | ILE | 0 | 0.033 | 0.020 | 86.225 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | 5 | 420 | LEU | 0 | 0.023 | 0.015 | 87.185 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | 5 | 421 | GLU | -1 | -0.971 | -0.998 | 86.892 | -3.768 | -3.768 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | 5 | 422 | ARG | 1 | 0.754 | 0.836 | 78.687 | 4.105 | 4.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | 5 | 423 | ARG | 0 | -0.028 | -0.015 | 83.340 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | 5 | 424 | ARG | 1 | 0.898 | 0.952 | 84.932 | 3.643 | 3.643 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | 5 | 425 | ALA | 0 | -0.034 | -0.021 | 82.165 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | 5 | 426 | PHE | 0 | 0.061 | 0.026 | 77.924 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | 5 | 427 | SER | 0 | 0.041 | -0.007 | 80.907 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | 5 | 428 | ARG | 1 | 0.898 | 0.944 | 83.208 | 3.913 | 3.913 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | 5 | 429 | TRP | 0 | 0.005 | -0.004 | 73.773 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | 5 | 430 | LEU | 0 | 0.058 | 0.027 | 77.856 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | 5 | 431 | SER | 0 | -0.088 | -0.040 | 79.958 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | 5 | 432 | CYS | -1 | -0.929 | -0.962 | 79.365 | -4.151 | -4.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | 5 | 433 | THR | 0 | 0.031 | 0.024 | 74.812 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | 5 | 434 | ALA | 0 | 0.002 | 0.011 | 76.804 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | 5 | 435 | THR | 0 | -0.057 | -0.055 | 79.161 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | 5 | 436 | PRO | 0 | 0.009 | 0.008 | 76.101 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | 5 | 437 | GLN | 0 | 0.088 | 0.033 | 76.204 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | 5 | 438 | ILE | 0 | -0.057 | -0.009 | 79.205 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | 5 | 439 | GLU | -1 | -0.947 | -0.965 | 82.347 | -3.892 | -3.892 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | 5 | 440 | GLU | -1 | -0.937 | -0.965 | 77.388 | -4.217 | -4.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | 5 | 441 | GLU | 0 | -0.017 | -0.006 | 81.685 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | 5 | 442 | VAL | 0 | -0.024 | -0.041 | 83.512 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | 5 | 443 | SER | 0 | -0.003 | 0.008 | 83.679 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | 5 | 444 | LEU | 0 | 0.001 | 0.001 | 79.239 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | 5 | 445 | THR | 0 | -0.064 | -0.027 | 83.406 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | 5 | 446 | GLN | 0 | -0.027 | -0.004 | 82.321 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | 5 | 447 | LYS | 1 | 0.789 | 0.880 | 85.857 | 3.782 | 3.782 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | 5 | 448 | ASN | 0 | -0.026 | -0.013 | 88.619 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | 5 | 449 | SER | 0 | -0.019 | -0.007 | 91.729 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | 5 | 450 | PRO | 0 | 0.088 | 0.019 | 93.937 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | 5 | 451 | VAL | 0 | -0.042 | -0.023 | 94.605 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | 5 | 452 | GLU | 0 | 0.030 | 0.023 | 90.004 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | 5 | 453 | ALA | 0 | 0.021 | 0.029 | 90.246 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | 5 | 454 | VAL | 0 | -0.054 | -0.001 | 91.475 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | 5 | 455 | PHE | 0 | 0.016 | -0.006 | 87.222 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | 5 | 456 | SER | 0 | 0.033 | 0.006 | 86.558 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | 5 | 457 | TYR | 0 | 0.038 | 0.025 | 87.590 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | 5 | 458 | LEU | 0 | -0.031 | 0.007 | 89.634 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | 5 | 459 | THR | 0 | -0.044 | -0.041 | 84.811 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | 5 | 460 | GLY | 0 | 0.078 | 0.037 | 85.091 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | 5 | 461 | LYS | 0 | 0.017 | 0.043 | 86.562 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | 5 | 462 | ARG | 1 | 0.772 | 0.877 | 88.740 | 3.631 | 3.631 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | 5 | 463 | ILE | 0 | 0.057 | 0.011 | 91.464 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | 5 | 464 | SER | 0 | -0.017 | -0.002 | 94.587 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | 5 | 465 | GLU | -1 | -0.839 | -0.905 | 91.868 | -3.539 | -3.539 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | 5 | 466 | ALA | 0 | 0.046 | 0.031 | 93.416 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | 5 | 467 | CYS | 0 | -0.064 | -0.036 | 95.379 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | 5 | 468 | SER | 0 | 0.020 | 0.003 | 98.290 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | 5 | 469 | LEU | 0 | 0.033 | 0.013 | 94.557 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | 5 | 470 | ALA | 0 | 0.009 | 0.006 | 98.386 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | 5 | 471 | GLN | 0 | -0.025 | -0.022 | 100.199 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | 5 | 472 | GLN | 0 | -0.059 | -0.023 | 99.354 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | 5 | 473 | SER | 0 | -0.053 | -0.032 | 99.686 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | 5 | 474 | GLY | 0 | 0.013 | 0.019 | 101.821 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | 5 | 475 | ASP | -1 | -0.798 | -0.864 | 101.762 | -3.186 | -3.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | 5 | 476 | HIS | 0 | 0.012 | -0.015 | 103.393 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | 5 | 477 | ARG | 1 | 0.917 | 0.963 | 105.136 | 3.109 | 3.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | 5 | 478 | LEU | 0 | 0.019 | 0.009 | 97.756 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | 5 | 479 | ALA | 0 | 0.023 | 0.008 | 101.018 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | 5 | 480 | LEU | 0 | -0.021 | -0.005 | 101.939 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | 5 | 481 | LEU | 0 | -0.023 | -0.009 | 100.514 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | 5 | 482 | LEU | 0 | 0.032 | 0.019 | 95.337 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | 5 | 483 | SER | 0 | -0.027 | -0.022 | 98.192 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | 5 | 484 | GLN | 0 | -0.015 | -0.026 | 100.047 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | 5 | 485 | PHE | 0 | -0.003 | -0.011 | 90.135 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | 5 | 486 | VAL | 0 | -0.037 | -0.014 | 94.632 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | 5 | 487 | GLY | 0 | 0.012 | 0.000 | 95.890 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | 5 | 488 | SER | -1 | -0.740 | -0.855 | 94.853 | -3.473 | -3.473 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | 5 | 489 | GLN | 0 | -0.080 | -0.033 | 96.756 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | 5 | 490 | SER | 0 | 0.034 | -0.003 | 99.567 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | 5 | 491 | VAL | 0 | -0.067 | -0.037 | 99.928 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | 5 | 492 | ARG | 0 | 0.029 | 0.018 | 93.991 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | 5 | 493 | GLU | -1 | -0.921 | -0.942 | 98.647 | -3.193 | -3.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | 5 | 494 | LEU | 0 | 0.011 | 0.007 | 101.013 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | 5 | 495 | LEU | 0 | -0.005 | -0.002 | 97.977 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | 5 | 496 | THR | 0 | -0.034 | -0.039 | 96.508 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | 5 | 497 | MET | 0 | -0.007 | 0.003 | 99.141 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | 5 | 498 | GLN | 0 | 0.012 | -0.004 | 102.492 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | 5 | 499 | LEU | 0 | -0.030 | -0.013 | 95.116 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | 5 | 500 | VAL | 0 | -0.035 | -0.018 | 99.276 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | 5 | 501 | ASP | -1 | -0.953 | -0.970 | 100.346 | -3.099 | -3.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | 5 | 502 | TRP | 0 | 0.048 | 0.009 | 97.199 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | 5 | 503 | HIS | 1 | 0.787 | 0.895 | 93.818 | 3.446 | 3.446 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | 5 | 504 | GLN | 0 | -0.024 | -0.013 | 99.223 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | 5 | 505 | LEU | 0 | -0.011 | -0.008 | 102.169 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | 5 | 506 | GLN | 0 | 0.020 | 0.011 | 102.331 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | 5 | 507 | ALA | 0 | -0.055 | -0.029 | 100.545 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | 5 | 508 | ASP | -1 | -0.888 | -0.927 | 101.968 | -3.109 | -3.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | 5 | 509 | SER | 0 | -0.054 | -0.056 | 104.895 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | 5 | 510 | PHE | 0 | -0.038 | -0.005 | 97.329 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | 5 | 511 | ILE | 0 | 0.021 | 0.010 | 98.950 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | 5 | 512 | GLN | 0 | -0.005 | 0.002 | 96.431 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | 5 | 513 | ASP | -1 | -0.804 | -0.898 | 91.359 | -3.608 | -3.608 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | 5 | 514 | GLU | -1 | -0.729 | -0.875 | 90.414 | -3.638 | -3.638 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | 5 | 515 | ARG | 1 | 0.836 | 0.901 | 93.552 | 3.221 | 3.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | 5 | 516 | LEU | 0 | 0.014 | 0.005 | 94.601 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | 5 | 517 | ARG | 1 | 0.854 | 0.957 | 85.030 | 3.790 | 3.790 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | 5 | 518 | ILE | 0 | 0.027 | 0.013 | 92.365 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | 5 | 519 | PHE | 0 | -0.048 | -0.006 | 94.252 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | 5 | 520 | ALA | 0 | -0.001 | -0.009 | 91.701 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | 5 | 521 | LEU | 0 | 0.010 | 0.022 | 89.657 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | 5 | 522 | LEU | 0 | 0.047 | 0.017 | 92.341 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | 5 | 523 | ALA | 0 | -0.027 | -0.032 | 94.625 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | 5 | 524 | GLY | 0 | 0.033 | 0.018 | 92.752 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | 5 | 525 | LYS | 0 | 0.008 | -0.001 | 89.780 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | 5 | 526 | PRO | 0 | -0.090 | -0.032 | 88.995 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | 5 | 527 | VAL | 0 | -0.007 | -0.008 | 84.791 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | 5 | 528 | TRP | 0 | 0.030 | 0.025 | 82.949 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | 5 | 529 | GLN | 0 | 0.032 | 0.019 | 85.296 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | 5 | 530 | LEU | 0 | 0.046 | 0.011 | 88.075 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | 5 | 531 | SER | 0 | -0.020 | -0.005 | 90.376 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | 5 | 532 | GLU | 0 | -0.049 | -0.066 | 91.417 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | 5 | 533 | LYS | 0 | 0.057 | 0.058 | 82.649 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | 5 | 534 | LYS | 1 | 0.806 | 0.888 | 86.444 | 3.558 | 3.558 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | 5 | 535 | GLN | 0 | 0.068 | 0.032 | 84.318 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | 5 | 536 | ILE | 0 | 0.091 | 0.055 | 80.760 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | 5 | 537 | ASN | 0 | -0.098 | -0.054 | 81.252 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | 5 | 538 | VAL | 0 | -0.083 | -0.040 | 81.777 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | 5 | 539 | CYS | -1 | -0.823 | -0.879 | 77.244 | -4.283 | -4.283 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | 5 | 540 | SER | 0 | 0.012 | -0.017 | 76.458 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | 5 | 541 | GLN | 0 | -0.094 | -0.043 | 77.130 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | 5 | 542 | LEU | 0 | -0.066 | -0.031 | 78.857 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | 5 | 543 | ASP | -1 | -0.854 | -0.900 | 74.007 | -4.501 | -4.501 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | 5 | 544 | TRP | 0 | 0.040 | 0.037 | 73.674 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | 5 | 545 | LYS | 0 | 0.045 | 0.020 | 74.095 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | 5 | 546 | ARG | 1 | 0.837 | 0.899 | 77.090 | 4.057 | 4.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | 5 | 547 | SER | 0 | -0.069 | -0.064 | 79.623 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | 5 | 548 | LEU | 0 | 0.026 | 0.013 | 77.454 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | 5 | 549 | ALA | 0 | -0.007 | 0.006 | 80.837 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | 5 | 550 | ILE | 0 | -0.068 | -0.039 | 83.011 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | 5 | 551 | HIS | -1 | -0.820 | -0.926 | 83.557 | -3.842 | -3.842 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | 5 | 552 | LEU | 0 | -0.001 | 0.005 | 81.844 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | 5 | 553 | TRP | 0 | -0.059 | -0.003 | 85.112 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | 5 | 554 | TYR | 0 | -0.092 | -0.059 | 88.149 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | 5 | 555 | LEU | 0 | 0.046 | 0.049 | 86.867 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | 5 | 556 | LEU | 0 | -0.030 | -0.029 | 89.700 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | 5 | 557 | PRO | 0 | 0.023 | 0.027 | 89.698 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | 5 | 558 | PRO | 0 | -0.001 | 0.001 | 90.718 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | 5 | 559 | THR | 0 | -0.102 | -0.048 | 92.377 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | 5 | 560 | ALA | 0 | -0.040 | -0.024 | 87.262 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | 5 | 561 | SER | 0 | 0.043 | 0.026 | 85.798 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | 5 | 562 | ILE | 0 | 0.026 | 0.005 | 82.193 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | 5 | 563 | SER | 0 | -0.027 | -0.004 | 79.730 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | 5 | 564 | ARG | 1 | 0.985 | 0.986 | 81.034 | 3.747 | 3.747 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | 5 | 565 | ALA | 0 | -0.017 | -0.013 | 83.390 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | 5 | 566 | LEU | 0 | -0.011 | -0.002 | 77.167 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | 5 | 567 | SER | 0 | 0.027 | 0.020 | 78.309 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | 5 | 568 | MET | 0 | -0.072 | -0.023 | 79.919 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | 5 | 569 | TYR | 0 | 0.011 | 0.017 | 79.504 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | 5 | 570 | GLU | -1 | -0.864 | -0.958 | 74.204 | -4.468 | -4.468 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | 5 | 571 | GLU | -1 | -0.969 | -0.977 | 77.197 | -4.049 | -4.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | 5 | 572 | ALA | 0 | -0.092 | -0.040 | 78.970 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | 5 | 573 | PHE | 0 | -0.084 | -0.052 | 73.399 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | 5 | 574 | GLN | 0 | -0.012 | 0.000 | 69.534 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | 5 | 575 | ASN | -1 | -0.744 | -0.851 | 69.336 | -4.871 | -4.871 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | 5 | 607 | PRO | 1 | 0.706 | 0.813 | 66.119 | 4.794 | 4.794 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | 5 | 608 | LEU | 0 | 0.116 | 0.056 | 63.759 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | 5 | 609 | ARG | 1 | 0.929 | 0.971 | 58.059 | 5.510 | 5.510 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | 5 | 610 | ASP | -1 | -0.856 | -0.938 | 63.287 | -4.877 | -4.877 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | 5 | 611 | VAL | 0 | -0.012 | -0.001 | 64.543 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | 5 | 612 | CYS | -1 | -0.837 | -0.909 | 66.508 | -4.650 | -4.650 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | 5 | 613 | PHE | 0 | 0.008 | -0.007 | 69.201 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | 5 | 614 | HIS | 0 | 0.037 | -0.002 | 66.859 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | 5 | 615 | LEU | 0 | -0.012 | -0.005 | 68.941 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | 5 | 616 | LEU | 0 | -0.034 | -0.020 | 70.429 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | 5 | 617 | LYS | 0 | 0.039 | 0.024 | 69.432 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | 5 | 618 | LEU | 0 | -0.042 | -0.036 | 68.654 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | 5 | 619 | TYR | 0 | -0.036 | -0.029 | 72.140 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | 5 | 620 | SER | 0 | -0.007 | -0.034 | 75.644 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | 5 | 621 | ASP | -1 | -0.790 | -0.869 | 74.279 | -4.270 | -4.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | 5 | 622 | ARG | 1 | 0.847 | 0.921 | 75.674 | 4.193 | 4.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | 5 | 623 | HIS | 0 | -0.130 | -0.051 | 77.273 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | 5 | 624 | TYR | 0 | -0.040 | -0.038 | 72.085 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | 5 | 625 | ASP | -1 | -0.916 | -0.955 | 70.655 | -4.702 | -4.702 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | 5 | 626 | LEU | 0 | 0.047 | 0.019 | 70.598 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | 5 | 627 | ASN | 0 | -0.009 | -0.075 | 64.571 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | 5 | 628 | GLN | 0 | -0.087 | -0.007 | 66.780 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | 5 | 629 | LEU | 0 | 0.001 | 0.021 | 68.599 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | 5 | 630 | LEU | 0 | 0.018 | 0.003 | 63.856 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | 5 | 631 | GLU | -1 | -0.960 | -0.979 | 61.686 | -5.321 | -5.321 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | 5 | 632 | PRO | 0 | -0.023 | -0.018 | 62.271 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | 5 | 633 | ARG | 0 | 0.073 | 0.079 | 63.016 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | 5 | 634 | SER | 0 | 0.010 | 0.006 | 58.907 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | 5 | 635 | ILE | 0 | -0.093 | -0.038 | 57.600 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | 5 | 636 | THR | 0 | -0.089 | -0.072 | 59.427 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | 5 | 637 | ALA | 0 | -0.075 | -0.042 | 58.772 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | 5 | 638 | ASP | -1 | -0.884 | -0.930 | 56.503 | -5.825 | -5.825 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | 5 | 639 | PRO | 0 | -0.055 | -0.022 | 58.611 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | 5 | 640 | LEU | 0 | -0.059 | -0.029 | 61.144 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | 5 | 641 | ASP | -1 | -0.701 | -0.873 | 57.805 | -5.779 | -5.779 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | 5 | 642 | TYR | 0 | 0.013 | -0.016 | 54.680 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | 5 | 643 | ARG | 1 | 0.808 | 0.932 | 59.040 | 5.513 | 5.513 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | 5 | 644 | LEU | 0 | -0.057 | -0.025 | 60.469 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | 5 | 645 | SER | -1 | -0.754 | -0.887 | 61.353 | -5.205 | -5.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | 5 | 646 | TRP | 0 | 0.003 | 0.016 | 60.560 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | 5 | 647 | HIS | 1 | 0.806 | 0.896 | 62.841 | 5.002 | 5.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | 5 | 648 | LEU | 0 | 0.025 | 0.003 | 65.448 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | 5 | 649 | TRP | 0 | 0.056 | 0.024 | 64.474 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | 5 | 650 | GLU | -1 | -0.866 | -0.923 | 65.319 | -4.944 | -4.944 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | 5 | 651 | VAL | 0 | -0.023 | -0.022 | 67.643 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | 5 | 652 | LEU | 0 | -0.047 | -0.014 | 70.462 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | 5 | 653 | ARG | 1 | 0.818 | 0.890 | 67.194 | 4.882 | 4.882 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | 5 | 654 | ALA | 0 | -0.092 | -0.028 | 71.638 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | 5 | 655 | LEU | 0 | -0.088 | -0.043 | 73.423 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | 5 | 656 | ASN | 0 | -0.062 | -0.039 | 75.879 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | 5 | 657 | TYR | -1 | -0.740 | -0.828 | 75.833 | -4.143 | -4.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | 5 | 658 | THR | 0 | 0.053 | 0.006 | 72.610 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | 5 | 659 | HIS | 0 | -0.062 | -0.018 | 71.283 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | 5 | 660 | LEU | 0 | 0.090 | 0.046 | 66.303 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | 5 | 661 | SER | 0 | -0.014 | -0.006 | 65.149 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | 5 | 662 | ALA | 0 | 0.083 | 0.033 | 65.740 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | 5 | 663 | GLN | 0 | -0.094 | -0.052 | 59.909 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | 5 | 664 | CYS | -1 | -0.796 | -0.838 | 60.894 | -5.312 | -5.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | 5 | 665 | GLU | -1 | -0.780 | -0.897 | 61.421 | -5.004 | -5.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | 5 | 666 | GLY | 0 | 0.001 | -0.004 | 60.291 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | 5 | 667 | VAL | 0 | -0.034 | -0.016 | 55.532 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | 5 | 668 | LEU | 0 | -0.010 | -0.004 | 57.022 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | 5 | 669 | GLN | 0 | -0.038 | 0.008 | 58.439 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | 5 | 670 | ALA | 0 | -0.006 | -0.008 | 54.327 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | 5 | 671 | SER | 0 | 0.005 | -0.012 | 52.318 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | 5 | 672 | TYR | -1 | -0.758 | -0.869 | 53.088 | -5.634 | -5.634 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | 5 | 673 | ALA | 0 | 0.008 | -0.017 | 54.205 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | 5 | 674 | GLY | 0 | -0.005 | -0.002 | 50.377 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | 5 | 675 | GLN | 0 | -0.022 | -0.012 | 49.588 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | 5 | 676 | LEU | 0 | 0.045 | 0.014 | 50.558 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | 5 | 677 | GLU | -1 | -0.814 | -0.897 | 46.773 | -7.066 | -7.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | 5 | 678 | SER | 0 | -0.027 | -0.012 | 46.182 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | 5 | 679 | GLU | -1 | -0.900 | -0.974 | 47.019 | -6.271 | -6.271 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | 5 | 680 | GLY | 0 | -0.014 | -0.004 | 48.354 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | 5 | 681 | LEU | 0 | 0.008 | 0.018 | 49.021 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | 5 | 682 | TRP | 0 | 0.047 | 0.007 | 51.043 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | 5 | 683 | GLU | -1 | -0.754 | -0.875 | 52.934 | -5.443 | -5.443 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | 5 | 684 | TRP | 0 | -0.019 | -0.027 | 56.394 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | 5 | 685 | ALA | 0 | 0.038 | 0.021 | 53.390 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | 5 | 686 | ILE | 0 | -0.038 | -0.029 | 55.354 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | 5 | 687 | PHE | 0 | -0.044 | -0.034 | 56.938 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | 5 | 688 | VAL | 0 | 0.026 | 0.022 | 57.140 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | 5 | 689 | LEU | 0 | 0.034 | 0.000 | 54.394 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | 5 | 690 | LEU | 0 | -0.115 | -0.052 | 58.269 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | 5 | 691 | HIS | 0 | -0.049 | -0.038 | 61.748 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | 5 | 692 | ILE | 0 | 0.021 | 0.020 | 57.693 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | 5 | 693 | ASP | -1 | -0.845 | -0.911 | 61.778 | -4.899 | -4.899 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | 5 | 694 | ASN | 0 | -0.005 | -0.003 | 58.575 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | 5 | 695 | SER | 0 | 0.038 | -0.017 | 60.268 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | 5 | 696 | GLY | 0 | 0.011 | 0.014 | 58.489 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | 5 | 697 | ILE | 0 | -0.005 | -0.010 | 54.137 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | 5 | 698 | ARG | 1 | 0.889 | 0.952 | 55.836 | 5.371 | 5.371 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | 5 | 699 | GLU | -1 | -0.897 | -0.956 | 55.829 | -5.766 | -5.766 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | 5 | 700 | LYS | 1 | 0.786 | 0.871 | 47.588 | 6.659 | 6.659 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | 5 | 701 | ALA | 0 | 0.043 | 0.013 | 51.836 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | 5 | 702 | VAL | 0 | -0.008 | -0.008 | 52.366 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | 5 | 703 | ARG | 1 | 0.746 | 0.851 | 52.250 | 6.044 | 6.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | 5 | 704 | GLU | -1 | -0.826 | -0.892 | 46.840 | -6.981 | -6.981 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | 5 | 705 | LEU | 0 | 0.008 | 0.006 | 48.180 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | 5 | 706 | LEU | 0 | -0.012 | -0.005 | 50.125 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | 5 | 707 | THR | -1 | -0.768 | -0.905 | 47.899 | -6.676 | -6.676 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | 5 | 708 | ARG | 1 | 0.669 | 0.846 | 43.342 | 7.180 | 7.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | 5 | 709 | HIS | 0 | -0.043 | -0.032 | 46.133 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | 5 | 710 | CYS | -1 | -0.830 | -0.866 | 48.870 | -6.326 | -6.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | 5 | 711 | GLN | 0 | 0.010 | -0.011 | 46.519 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | 5 | 712 | LEU | 0 | -0.031 | -0.008 | 49.766 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | 5 | 713 | LEU | 0 | -0.036 | -0.002 | 51.857 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | 5 | 714 | GLU | -1 | -0.853 | -0.914 | 53.424 | -5.965 | -5.965 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | 5 | 715 | THR | 0 | -0.090 | -0.078 | 56.382 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | 5 | 716 | PRO | 0 | -0.028 | -0.048 | 52.682 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | 5 | 717 | GLU | -1 | -0.917 | -0.909 | 51.839 | -6.182 | -6.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | 5 | 718 | SER | -1 | -0.699 | -0.806 | 55.180 | -5.718 | -5.718 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | 5 | 719 | TRP | 0 | 0.020 | -0.008 | 58.142 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | 5 | 720 | ALA | 0 | 0.022 | 0.001 | 60.993 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | 5 | 721 | LYS | 1 | 0.725 | 0.848 | 62.710 | 4.940 | 4.940 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | 5 | 722 | GLU | 0 | -0.102 | -0.058 | 62.433 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | 5 | 723 | THR | 0 | 0.072 | 0.014 | 57.090 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | 5 | 724 | PHE | 0 | -0.010 | 0.011 | 59.962 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | 5 | 725 | LEU | 0 | -0.076 | -0.046 | 61.721 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | 5 | 726 | THR | 0 | -0.006 | -0.018 | 59.389 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | 5 | 727 | GLN | 0 | 0.003 | 0.008 | 58.627 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | 5 | 728 | LYS | 1 | 0.906 | 0.939 | 60.513 | 4.790 | 4.790 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | 5 | 729 | LEU | 0 | -0.018 | 0.015 | 61.852 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | 5 | 730 | ARG | 0 | -0.025 | 0.014 | 63.405 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | 5 | 731 | VAL | 0 | 0.034 | 0.045 | 58.150 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | 5 | 732 | PRO | 0 | -0.013 | -0.012 | 59.825 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | 5 | 733 | ALA | 0 | 0.043 | 0.015 | 60.195 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | 5 | 734 | LYS | 1 | 0.831 | 0.894 | 56.253 | 5.671 | 5.671 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | 5 | 735 | TRP | 0 | -0.051 | -0.008 | 51.130 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | 5 | 736 | ILE | 0 | 0.103 | 0.062 | 55.345 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | 5 | 737 | HIS | 0 | -0.036 | -0.026 | 55.175 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | 5 | 738 | GLU | -1 | -0.841 | -0.896 | 52.399 | -6.104 | -6.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | 5 | 739 | ALA | 0 | 0.045 | 0.024 | 50.900 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | 5 | 740 | LYS | 0 | 0.071 | 0.015 | 50.275 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | 5 | 741 | ALA | 0 | -0.082 | -0.026 | 51.007 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | 5 | 742 | VAL | 0 | -0.035 | -0.023 | 45.610 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | 5 | 743 | ARG | 1 | 0.824 | 0.894 | 46.136 | 6.297 | 6.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | 5 | 744 | ALA | 0 | 0.028 | 0.015 | 46.281 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | 5 | 745 | HIS | 0 | -0.140 | -0.074 | 42.812 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | 5 | 746 | MET | 0 | -0.042 | -0.018 | 39.367 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | 5 | 747 | GLU | -1 | -0.913 | -0.957 | 42.081 | -6.889 | -6.889 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | 5 | 748 | SER | 0 | -0.107 | -0.055 | 42.356 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | 5 | 749 | ASP | -1 | -0.912 | -0.938 | 44.507 | -6.414 | -6.414 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | 5 | 750 | LYS | 1 | 0.934 | 0.945 | 48.213 | 6.376 | 6.376 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | 5 | 751 | HIS | -1 | -0.981 | -0.966 | 50.928 | -5.722 | -5.722 | 0.000 | 0.000 | 0.000 | 0.000 |