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: G4YN1
Calculation Name: 4N4R-C-Xray549
Preferred Name:
Target Type:
Ligand Name: cacodylate ion | zinc ion
Ligand 3-letter code: CAC | ZN
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 4N4R
Chain ID: C
UniProt ID: Q8ZRW0
Base Structure: X-ray
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 | 537 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -10860107.870481 |
|---|---|
| FMO2-HF: Nuclear repulsion | 10641035.359222 |
| FMO2-HF: Total energy | -219072.511259 |
| FMO2-MP2: Total energy | -219713.042468 |
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(C:226:SER)
Summations of interaction energy for
fragment #1(C:226:SER)
| 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. |
| -191.853 | -180.691 | 7.508 | -8.739 | -9.934 | -0.049 |
Interaction energy analysis for fragmet #1(C:226:SER)
| 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 | C | 228 | PHE | 0 | 0.004 | -0.003 | 3.847 | 0.821 | 2.074 | -0.019 | -0.580 | -0.654 | -0.002 |
| 22 | C | 247 | TYR | 0 | -0.013 | -0.007 | 3.051 | -8.322 | -7.037 | 0.123 | -0.543 | -0.865 | -0.006 |
| 23 | C | 248 | TYR | 0 | 0.004 | 0.014 | 2.489 | -7.348 | -5.344 | 1.289 | -1.588 | -1.706 | -0.016 |
| 24 | C | 249 | TRP | 0 | -0.026 | -0.033 | 2.520 | -23.165 | -17.953 | 2.748 | -4.177 | -3.783 | -0.036 |
| 25 | C | 250 | ASN | 0 | -0.003 | -0.004 | 2.204 | 1.019 | 1.972 | 3.360 | -1.724 | -2.590 | 0.011 |
| 26 | C | 251 | ILE | 0 | -0.038 | -0.011 | 3.657 | -2.002 | -1.547 | 0.007 | -0.127 | -0.336 | 0.000 |
| 4 | C | 229 | LEU | 0 | -0.014 | 0.003 | 6.042 | -1.278 | -1.278 | 0.000 | 0.000 | 0.000 | 0.000 |
| 5 | C | 230 | ILE | 0 | 0.009 | 0.007 | 8.467 | 1.771 | 1.771 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | C | 231 | PRO | 0 | -0.019 | -0.004 | 12.242 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | C | 232 | ASN | 0 | -0.027 | 0.000 | 14.506 | 1.429 | 1.429 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | C | 233 | ALA | 0 | 0.006 | 0.000 | 17.509 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | C | 234 | LYS | 1 | 0.910 | 0.956 | 20.888 | 13.868 | 13.868 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | C | 235 | TYR | 0 | -0.027 | 0.000 | 24.106 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | C | 236 | THR | 0 | 0.005 | -0.026 | 26.323 | 0.389 | 0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | C | 237 | THR | 0 | -0.059 | -0.043 | 29.153 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | C | 238 | LYS | 1 | 0.855 | 0.948 | 28.058 | 10.995 | 10.995 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | C | 239 | ASN | 0 | 0.016 | -0.012 | 25.738 | 0.497 | 0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | C | 240 | TYR | 0 | 0.000 | 0.000 | 28.303 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | C | 241 | PHE | 0 | 0.003 | 0.005 | 22.990 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | C | 242 | GLU | -1 | -0.761 | -0.850 | 22.603 | -12.632 | -12.632 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | C | 243 | PHE | 0 | -0.037 | -0.021 | 16.375 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | C | 244 | TYR | 0 | 0.023 | 0.023 | 15.142 | 0.410 | 0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | C | 245 | LEU | 0 | -0.015 | -0.013 | 11.792 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | C | 246 | PRO | 0 | 0.045 | 0.027 | 9.350 | -0.844 | -0.844 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | C | 252 | ALA | 0 | -0.013 | -0.010 | 6.250 | 1.682 | 1.682 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | C | 253 | PRO | 0 | -0.011 | -0.019 | 8.238 | -1.643 | -1.643 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | C | 254 | ASN | 0 | 0.001 | 0.004 | 9.939 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | C | 255 | MET | 0 | 0.002 | 0.014 | 9.976 | 1.526 | 1.526 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | C | 256 | ASP | -1 | -0.849 | -0.908 | 6.161 | -36.677 | -36.677 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | C | 257 | ALA | 0 | 0.071 | 0.034 | 6.574 | 3.805 | 3.805 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | C | 258 | THR | 0 | -0.019 | -0.011 | 6.192 | -7.119 | -7.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | C | 259 | ILE | 0 | -0.012 | 0.011 | 8.093 | 2.801 | 2.801 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | C | 260 | THR | 0 | 0.035 | -0.003 | 9.877 | -1.938 | -1.938 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | C | 261 | PRO | 0 | -0.047 | 0.010 | 12.522 | 1.359 | 1.359 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | C | 262 | HIS | 1 | 0.819 | 0.873 | 15.491 | 14.698 | 14.698 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | C | 263 | TYR | 0 | -0.007 | -0.009 | 18.424 | 0.863 | 0.863 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | C | 264 | MET | 0 | 0.018 | 0.000 | 20.971 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | C | 265 | HIS | 0 | -0.014 | -0.004 | 24.646 | 0.638 | 0.638 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | C | 266 | ARG | 1 | 0.890 | 0.965 | 27.374 | 9.724 | 9.724 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | C | 267 | ARG | 1 | 0.792 | 0.878 | 26.982 | 10.959 | 10.959 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | C | 268 | GLY | 0 | -0.015 | 0.009 | 27.478 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | C | 269 | ASN | 0 | -0.031 | -0.007 | 23.335 | -0.571 | -0.571 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | C | 270 | ILE | 0 | -0.016 | -0.018 | 17.363 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | C | 271 | MET | 0 | -0.005 | 0.024 | 19.791 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | C | 272 | TRP | 0 | -0.002 | -0.016 | 12.238 | -1.031 | -1.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | C | 273 | GLU | -1 | -0.736 | -0.850 | 15.465 | -16.207 | -16.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | C | 274 | ASN | 0 | -0.083 | -0.061 | 12.776 | -2.781 | -2.781 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | C | 275 | GLU | -1 | -0.732 | -0.810 | 11.598 | -20.060 | -20.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | C | 276 | PHE | 0 | -0.044 | -0.044 | 10.874 | -2.565 | -2.565 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | C | 277 | ARG | 1 | 0.860 | 0.929 | 9.524 | 29.022 | 29.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | C | 278 | TYR | 0 | -0.034 | -0.041 | 11.946 | -1.867 | -1.867 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | C | 279 | LEU | 0 | 0.051 | 0.022 | 14.454 | 0.893 | 0.893 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | C | 280 | THR | 0 | -0.033 | -0.019 | 16.583 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | C | 281 | GLN | 0 | 0.015 | 0.003 | 19.079 | 0.508 | 0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | C | 282 | ALA | 0 | 0.023 | 0.008 | 22.456 | 0.490 | 0.490 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | C | 283 | GLY | 0 | -0.001 | -0.007 | 22.336 | 0.512 | 0.512 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | C | 284 | GLU | -1 | -0.950 | -0.970 | 18.189 | -16.604 | -16.604 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | C | 285 | GLY | 0 | 0.024 | 0.006 | 17.637 | 0.977 | 0.977 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | C | 286 | VAL | 0 | -0.041 | -0.016 | 15.030 | -1.400 | -1.400 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | C | 287 | MET | 0 | -0.053 | -0.024 | 15.822 | 0.991 | 0.991 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | C | 288 | GLU | -1 | -0.846 | -0.926 | 15.529 | -19.594 | -19.594 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | C | 289 | LEU | 0 | -0.050 | -0.030 | 16.670 | 1.034 | 1.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | C | 290 | ASP | -1 | -0.774 | -0.896 | 17.250 | -16.838 | -16.838 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | C | 291 | TYR | 0 | -0.075 | -0.042 | 19.093 | 0.881 | 0.881 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | C | 292 | LEU | 0 | -0.001 | 0.010 | 18.615 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | C | 293 | PRO | 0 | -0.085 | -0.028 | 21.518 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | C | 294 | SER | -1 | -0.817 | -0.927 | 23.749 | -10.452 | -10.452 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | C | 307 | ASP | 0 | -0.070 | -0.045 | 30.985 | 0.661 | 0.661 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | C | 308 | LYS | 1 | 0.926 | 0.951 | 31.334 | 8.749 | 8.749 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | C | 309 | HIS | 0 | 0.010 | 0.001 | 27.359 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | C | 310 | ARG | 1 | 0.760 | 0.872 | 27.427 | 10.403 | 10.403 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | C | 311 | TRP | 0 | 0.016 | 0.009 | 23.507 | -0.410 | -0.410 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | C | 312 | LEU | 0 | 0.001 | 0.014 | 21.665 | 0.614 | 0.614 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | C | 313 | PHE | 0 | -0.032 | -0.014 | 20.281 | -0.535 | -0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | C | 314 | TYR | 0 | 0.030 | 0.005 | 19.325 | 0.602 | 0.602 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | C | 315 | TRP | 0 | -0.033 | -0.042 | 20.155 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | C | 316 | GLN | 0 | 0.012 | 0.022 | 18.830 | 1.177 | 1.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | C | 317 | HIS | 0 | -0.010 | 0.010 | 20.563 | -1.249 | -1.249 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | C | 318 | SER | 0 | 0.016 | -0.009 | 22.534 | 0.806 | 0.806 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | C | 319 | GLY | 0 | 0.034 | 0.014 | 23.429 | -0.616 | -0.616 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | C | 320 | VAL | 0 | -0.067 | -0.030 | 25.678 | 0.552 | 0.552 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | C | 321 | MET | 0 | -0.013 | 0.010 | 26.960 | -0.504 | -0.504 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | C | 322 | ASP | -1 | -0.870 | -0.956 | 28.686 | -9.981 | -9.981 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | C | 323 | GLN | 0 | -0.078 | -0.045 | 30.744 | 0.546 | 0.546 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | C | 324 | VAL | 0 | 0.003 | 0.028 | 32.547 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | C | 325 | TRP | 0 | -0.003 | 0.003 | 31.141 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | C | 326 | ARG | 1 | 0.930 | 0.962 | 30.458 | 9.343 | 9.343 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | C | 327 | PHE | 0 | 0.024 | 0.007 | 26.964 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | C | 328 | ASN | 0 | -0.012 | -0.001 | 26.947 | -0.578 | -0.578 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | C | 329 | VAL | 0 | -0.024 | 0.005 | 24.768 | 0.455 | 0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | C | 330 | ASP | -1 | -0.861 | -0.922 | 25.428 | -11.419 | -11.419 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | C | 331 | TYR | 0 | 0.017 | 0.012 | 25.196 | 0.759 | 0.759 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | C | 332 | THR | 0 | 0.020 | 0.018 | 24.600 | -0.580 | -0.580 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | C | 333 | LYS | 1 | 0.891 | 0.958 | 25.844 | 10.615 | 10.615 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | C | 334 | VAL | 0 | 0.001 | 0.005 | 25.989 | -0.476 | -0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | C | 335 | SER | 0 | 0.009 | -0.006 | 27.806 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | C | 336 | ASP | -1 | -0.834 | -0.897 | 29.681 | -9.783 | -9.783 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | C | 337 | SER | 0 | 0.025 | 0.000 | 31.383 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | C | 338 | SER | 0 | 0.026 | 0.026 | 33.012 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | C | 339 | TYR | 0 | -0.031 | -0.002 | 22.223 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | C | 340 | PHE | 0 | 0.051 | 0.014 | 24.783 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | C | 341 | ASN | 0 | -0.018 | 0.008 | 28.829 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | C | 342 | ASP | -1 | -0.822 | -0.901 | 29.298 | -9.799 | -9.799 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | C | 343 | PHE | 0 | -0.065 | -0.052 | 24.420 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | C | 344 | ASP | -1 | -0.892 | -0.938 | 22.919 | -12.534 | -12.534 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | C | 345 | SER | 0 | 0.019 | -0.003 | 21.182 | -0.493 | -0.493 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | C | 346 | LYS | 1 | 0.879 | 0.923 | 15.174 | 19.015 | 19.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | C | 347 | TYR | 0 | -0.063 | -0.039 | 16.515 | 0.462 | 0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | C | 348 | GLY | 0 | 0.054 | 0.026 | 23.195 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | C | 349 | SER | 0 | -0.030 | -0.011 | 26.101 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | C | 350 | SER | 0 | -0.024 | -0.003 | 28.802 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | C | 351 | THR | 0 | -0.047 | -0.039 | 31.858 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | C | 352 | ASP | -1 | -0.867 | -0.913 | 29.595 | -10.065 | -10.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | C | 353 | GLY | 0 | 0.009 | -0.005 | 32.981 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | C | 354 | TYR | 0 | -0.059 | -0.042 | 34.153 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | C | 355 | ALA | 0 | 0.027 | 0.044 | 29.495 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | C | 356 | THR | 0 | 0.006 | -0.010 | 30.199 | 0.459 | 0.459 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | C | 357 | GLN | 0 | 0.006 | -0.011 | 29.305 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | C | 358 | LYS | 1 | 0.870 | 0.937 | 29.793 | 10.397 | 10.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | C | 359 | PHE | 0 | 0.025 | 0.013 | 26.899 | -0.446 | -0.446 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | C | 360 | SER | 0 | -0.057 | -0.043 | 30.361 | 0.452 | 0.452 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | C | 361 | VAL | 0 | 0.017 | 0.005 | 30.572 | -0.390 | -0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | C | 362 | GLY | 0 | 0.029 | 0.018 | 32.866 | 0.351 | 0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | C | 363 | TYR | 0 | -0.036 | -0.007 | 34.348 | -0.285 | -0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | C | 364 | ALA | 0 | -0.009 | -0.010 | 36.728 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | C | 365 | VAL | 0 | -0.002 | -0.007 | 37.775 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | C | 366 | GLN | 0 | -0.037 | -0.022 | 40.487 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | C | 367 | ASN | 0 | 0.041 | 0.039 | 43.339 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | C | 368 | PHE | 0 | -0.010 | -0.026 | 42.348 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | C | 369 | ASP | -1 | -0.805 | -0.885 | 39.990 | -7.823 | -7.823 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | C | 370 | ALA | 0 | 0.030 | 0.012 | 39.930 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | C | 371 | THR | 0 | -0.014 | -0.014 | 35.677 | -0.349 | -0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | C | 372 | VAL | 0 | 0.011 | 0.015 | 36.523 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | C | 373 | SER | 0 | -0.030 | -0.021 | 34.961 | -0.305 | -0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | C | 374 | THR | 0 | -0.008 | -0.011 | 34.099 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | C | 375 | LYS | 1 | 0.844 | 0.928 | 34.023 | 7.882 | 7.882 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | C | 376 | GLN | 0 | 0.001 | 0.001 | 33.685 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | C | 377 | PHE | 0 | -0.009 | -0.011 | 33.947 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | C | 378 | GLN | 0 | 0.008 | -0.001 | 31.161 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | C | 379 | VAL | 0 | 0.016 | -0.003 | 34.478 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | C | 380 | PHE | 0 | -0.018 | -0.018 | 30.614 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | C | 381 | ASN | 0 | -0.003 | 0.001 | 36.793 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | C | 382 | ASP | -1 | -0.844 | -0.918 | 40.551 | -7.285 | -7.285 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | C | 383 | GLN | 0 | -0.039 | -0.023 | 42.435 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | C | 384 | ASN | 0 | -0.059 | -0.021 | 42.648 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | C | 385 | THR | 0 | 0.016 | 0.007 | 43.564 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | C | 386 | SER | 0 | -0.022 | -0.020 | 43.026 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | C | 387 | SER | 0 | -0.024 | -0.016 | 38.514 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | C | 388 | TYR | 0 | 0.002 | -0.024 | 41.736 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | C | 389 | SER | 0 | -0.036 | -0.019 | 38.423 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | C | 390 | ALA | 0 | -0.021 | 0.001 | 39.027 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | C | 391 | GLU | -1 | -0.851 | -0.920 | 37.728 | -8.594 | -8.594 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | C | 392 | PRO | 0 | 0.016 | 0.010 | 38.835 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | C | 393 | GLN | 0 | 0.008 | -0.029 | 39.188 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | C | 394 | LEU | 0 | -0.049 | -0.015 | 39.548 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | C | 395 | ASP | -1 | -0.778 | -0.849 | 40.722 | -7.430 | -7.430 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | C | 396 | VAL | 0 | -0.002 | -0.006 | 41.834 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | C | 397 | ASN | 0 | -0.022 | -0.011 | 43.106 | 0.354 | 0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | C | 398 | TYR | 0 | -0.006 | 0.002 | 45.565 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | C | 399 | TYR | 0 | -0.039 | -0.025 | 43.820 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | C | 400 | HIS | 0 | -0.032 | -0.021 | 49.685 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | C | 401 | ASN | 0 | 0.048 | 0.034 | 49.830 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | C | 402 | ASP | -1 | -0.885 | -0.941 | 53.244 | -5.986 | -5.986 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | C | 403 | LEU | 0 | -0.036 | 0.006 | 56.115 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | C | 404 | GLY | 0 | -0.035 | -0.028 | 58.679 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | C | 405 | PRO | 0 | -0.057 | -0.046 | 59.361 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | C | 406 | PHE | 0 | -0.014 | -0.016 | 58.968 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | C | 407 | ASP | -1 | -0.815 | -0.890 | 53.385 | -6.036 | -6.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | C | 408 | THR | 0 | -0.096 | -0.073 | 54.240 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | C | 409 | ARG | 1 | 0.906 | 0.946 | 45.431 | 6.729 | 6.729 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | C | 410 | ILE | 0 | -0.034 | -0.015 | 50.632 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | C | 411 | TYR | 0 | -0.035 | -0.028 | 44.223 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | C | 412 | GLY | 0 | 0.001 | -0.008 | 47.551 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | C | 413 | GLN | 0 | -0.029 | -0.023 | 43.415 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | C | 414 | ALA | 0 | -0.010 | -0.007 | 45.165 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | C | 415 | VAL | 0 | -0.018 | -0.003 | 42.757 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | C | 416 | HIS | 0 | -0.020 | -0.018 | 43.543 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | C | 417 | PHE | 0 | -0.058 | -0.026 | 43.221 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | C | 418 | VAL | 0 | 0.079 | 0.039 | 41.309 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | C | 419 | ASN | 0 | 0.047 | 0.007 | 43.140 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | C | 420 | THR | 0 | -0.031 | -0.004 | 39.996 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | C | 421 | LYS | 1 | 0.817 | 0.902 | 42.033 | 7.228 | 7.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | C | 422 | ASP | -1 | -0.905 | -0.947 | 45.634 | -6.480 | -6.480 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | C | 423 | ASN | 0 | 0.038 | 0.014 | 47.882 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | C | 424 | MET | 0 | -0.026 | 0.007 | 47.812 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | C | 425 | PRO | 0 | 0.027 | 0.031 | 49.974 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | C | 426 | GLU | -1 | -0.849 | -0.887 | 47.051 | -6.882 | -6.882 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | C | 427 | ALA | 0 | -0.005 | -0.008 | 48.330 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | C | 428 | THR | 0 | -0.003 | 0.013 | 47.732 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | C | 429 | ARG | 1 | 0.758 | 0.845 | 46.097 | 6.891 | 6.891 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | C | 430 | VAL | 0 | -0.009 | -0.012 | 48.688 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | C | 431 | HIS | 0 | -0.008 | -0.006 | 49.445 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | C | 432 | LEU | 0 | -0.009 | -0.004 | 50.387 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | C | 433 | GLU | -1 | -0.767 | -0.873 | 51.153 | -6.108 | -6.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | C | 434 | PRO | 0 | -0.028 | 0.004 | 52.554 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | C | 435 | THR | 0 | -0.041 | -0.046 | 52.785 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | C | 436 | ILE | 0 | 0.009 | 0.006 | 55.456 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | C | 437 | ASN | 0 | 0.000 | 0.001 | 54.221 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | C | 438 | LEU | 0 | 0.022 | 0.024 | 57.875 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | C | 439 | PRO | 0 | 0.009 | 0.005 | 55.601 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | C | 440 | LEU | 0 | -0.006 | 0.008 | 57.747 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | C | 441 | SER | 0 | -0.009 | -0.021 | 56.844 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | C | 442 | ASN | 0 | -0.016 | -0.013 | 58.901 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | C | 443 | ARG | 1 | 0.979 | 0.984 | 57.580 | 5.302 | 5.302 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | C | 444 | TRP | 0 | 0.050 | 0.037 | 58.269 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | C | 445 | GLY | 0 | -0.001 | -0.003 | 59.935 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | C | 446 | SER | 0 | -0.061 | -0.028 | 57.396 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | C | 447 | LEU | 0 | 0.010 | -0.003 | 59.478 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | C | 448 | ASN | 0 | -0.021 | -0.002 | 55.741 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | C | 449 | THR | 0 | 0.000 | 0.003 | 58.695 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | C | 450 | GLU | -1 | -0.793 | -0.906 | 54.959 | -5.880 | -5.880 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | C | 451 | ALA | 0 | -0.005 | -0.001 | 58.996 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | C | 452 | LYS | 1 | 0.855 | 0.941 | 52.618 | 5.963 | 5.963 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | C | 453 | LEU | 0 | -0.045 | -0.014 | 57.178 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | C | 454 | MET | 0 | 0.012 | 0.023 | 54.105 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | C | 455 | ALA | 0 | -0.016 | -0.012 | 55.584 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | C | 456 | THR | 0 | 0.003 | -0.008 | 52.371 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | C | 457 | HIS | 1 | 0.788 | 0.879 | 54.269 | 5.801 | 5.801 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | C | 458 | TYR | 0 | 0.014 | -0.032 | 51.521 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | C | 459 | GLN | 0 | 0.022 | 0.016 | 53.290 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | C | 460 | GLN | 0 | -0.029 | -0.016 | 52.772 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | C | 461 | THR | 0 | 0.024 | -0.007 | 51.912 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | C | 462 | ASN | 0 | 0.004 | -0.011 | 50.713 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | C | 463 | LEU | 0 | 0.044 | 0.031 | 53.534 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | C | 464 | ASP | -1 | -0.917 | -0.953 | 55.778 | -5.465 | -5.465 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | C | 465 | SER | 0 | -0.033 | -0.035 | 53.843 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | C | 466 | TYR | 0 | 0.002 | 0.014 | 53.949 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | C | 467 | ASN | 0 | -0.005 | -0.019 | 56.335 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | C | 468 | SER | 0 | -0.045 | -0.030 | 59.342 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | C | 469 | ASP | -1 | -0.910 | -0.930 | 57.179 | -5.499 | -5.499 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | C | 470 | PRO | 0 | -0.086 | -0.045 | 60.643 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | C | 471 | ASN | 0 | 0.005 | -0.011 | 56.399 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | C | 472 | ASN | 0 | 0.042 | 0.031 | 57.699 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | C | 473 | LYS | 1 | 0.908 | 0.957 | 61.073 | 4.845 | 4.845 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | C | 474 | ASN | 0 | -0.076 | -0.049 | 62.040 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | C | 475 | LYS | 1 | 0.958 | 0.981 | 61.017 | 4.820 | 4.820 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | C | 476 | LEU | 0 | 0.003 | 0.010 | 54.659 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | C | 477 | GLU | -1 | -0.932 | -0.978 | 58.655 | -5.122 | -5.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | C | 478 | ASP | -1 | -0.878 | -0.927 | 57.886 | -5.468 | -5.468 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | C | 479 | SER | 0 | -0.047 | -0.037 | 57.473 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | C | 480 | VAL | 0 | 0.013 | 0.032 | 57.576 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | C | 481 | ASN | 0 | -0.011 | -0.002 | 57.866 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | C | 482 | ARG | 1 | 0.828 | 0.910 | 52.821 | 6.029 | 6.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | C | 483 | VAL | 0 | 0.026 | 0.011 | 57.964 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | C | 484 | MET | 0 | -0.027 | -0.001 | 58.625 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | C | 485 | PRO | 0 | -0.005 | 0.004 | 59.477 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | C | 486 | GLN | 0 | 0.027 | 0.003 | 55.071 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | C | 487 | PHE | 0 | -0.041 | -0.016 | 59.937 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | C | 488 | LYS | 1 | 0.876 | 0.946 | 53.902 | 5.906 | 5.906 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | C | 489 | VAL | 0 | -0.028 | -0.004 | 59.935 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | C | 490 | ASP | -1 | -0.797 | -0.874 | 55.593 | -5.827 | -5.827 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | C | 491 | GLY | 0 | 0.027 | 0.013 | 58.748 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | C | 492 | LYS | 1 | 0.854 | 0.915 | 53.036 | 5.992 | 5.992 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | C | 493 | LEU | 0 | -0.024 | -0.012 | 59.198 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | C | 494 | ILE | 0 | -0.006 | -0.011 | 55.573 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | C | 495 | PHE | 0 | -0.029 | -0.010 | 59.338 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | C | 496 | GLU | -1 | -0.922 | -0.965 | 58.677 | -5.558 | -5.558 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | C | 497 | ARG | 1 | 0.879 | 0.938 | 60.374 | 5.233 | 5.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | C | 498 | ASP | -1 | -0.791 | -0.894 | 60.416 | -5.289 | -5.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | C | 499 | MET | 0 | -0.101 | -0.032 | 56.832 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | C | 500 | ALA | 0 | 0.026 | -0.009 | 60.587 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | C | 501 | MET | 0 | -0.094 | -0.037 | 62.040 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | C | 502 | LEU | 0 | -0.011 | 0.003 | 58.145 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | C | 503 | ALA | 0 | 0.030 | 0.007 | 56.954 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | C | 504 | PRO | 0 | 0.015 | -0.003 | 58.225 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | C | 505 | GLY | 0 | 0.021 | 0.012 | 56.809 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | C | 506 | TYR | 0 | -0.014 | -0.003 | 52.545 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | C | 507 | THR | 0 | -0.011 | 0.007 | 55.509 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | C | 508 | GLN | 0 | -0.060 | -0.025 | 55.619 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | C | 509 | THR | 0 | 0.056 | 0.021 | 55.172 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | C | 510 | LEU | 0 | -0.015 | -0.002 | 56.971 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | C | 511 | GLU | -1 | -0.803 | -0.890 | 53.605 | -6.003 | -6.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | C | 512 | PRO | 0 | 0.001 | -0.004 | 57.310 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | C | 513 | ARG | 1 | 0.830 | 0.907 | 51.971 | 5.985 | 5.985 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | C | 514 | VAL | 0 | -0.014 | -0.005 | 58.799 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | C | 515 | GLN | 0 | -0.049 | -0.050 | 54.790 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | C | 516 | TYR | 0 | -0.028 | -0.003 | 60.031 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | C | 517 | LEU | 0 | 0.016 | 0.015 | 56.758 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | C | 518 | TYR | 0 | -0.024 | -0.019 | 60.637 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | C | 519 | VAL | 0 | 0.069 | 0.022 | 58.164 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | C | 520 | PRO | 0 | -0.028 | 0.012 | 61.483 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | C | 521 | TYR | 0 | -0.020 | -0.026 | 62.341 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | C | 522 | ARG | 1 | 0.819 | 0.891 | 60.452 | 5.119 | 5.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | C | 523 | ASP | -1 | -0.790 | -0.857 | 61.108 | -5.193 | -5.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | C | 524 | GLN | 0 | -0.003 | -0.029 | 56.409 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | C | 525 | SER | 0 | -0.038 | -0.030 | 57.474 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | C | 526 | GLY | 0 | 0.048 | 0.051 | 58.629 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | C | 527 | ILE | 0 | -0.084 | -0.026 | 53.460 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | C | 528 | TYR | 0 | 0.039 | 0.016 | 48.862 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | C | 529 | ASN | 0 | -0.068 | -0.047 | 49.362 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | C | 530 | TYR | 0 | -0.040 | -0.032 | 46.164 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | C | 531 | ASP | -1 | -0.767 | -0.867 | 44.032 | -7.076 | -7.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | C | 532 | SER | 0 | -0.043 | -0.022 | 45.407 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | C | 533 | SER | 0 | 0.019 | 0.024 | 44.037 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | C | 534 | LEU | 0 | 0.052 | 0.023 | 46.954 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | C | 535 | LEU | 0 | -0.032 | -0.012 | 45.845 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | C | 536 | GLN | 0 | 0.003 | 0.011 | 43.888 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | C | 537 | SER | 0 | -0.006 | -0.003 | 48.049 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | C | 538 | ASP | -1 | -0.788 | -0.910 | 46.618 | -6.749 | -6.749 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | C | 539 | TYR | 0 | 0.037 | 0.008 | 48.752 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | C | 540 | ASN | 0 | -0.016 | -0.023 | 47.111 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | C | 541 | GLY | 0 | -0.010 | -0.011 | 49.146 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | C | 542 | LEU | 0 | -0.019 | 0.007 | 50.015 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | C | 543 | PHE | 0 | -0.038 | -0.010 | 52.700 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | C | 544 | ARG | 1 | 0.887 | 0.962 | 46.748 | 6.658 | 6.658 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | C | 545 | ASP | -1 | -0.827 | -0.938 | 51.755 | -6.070 | -6.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | C | 546 | ARG | 1 | 0.814 | 0.899 | 49.769 | 6.340 | 6.340 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | C | 547 | THR | 0 | 0.043 | 0.015 | 50.979 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | C | 548 | TYR | 0 | -0.010 | -0.008 | 49.861 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | C | 549 | GLY | 0 | 0.015 | 0.006 | 45.889 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | C | 550 | GLY | 0 | -0.007 | 0.023 | 45.299 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | C | 551 | LEU | 0 | -0.038 | -0.038 | 46.343 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | C | 552 | ASP | -1 | -0.699 | -0.804 | 48.943 | -6.345 | -6.345 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | C | 553 | ARG | 1 | 0.854 | 0.931 | 51.410 | 5.968 | 5.968 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | C | 554 | ILE | 0 | 0.008 | 0.003 | 52.117 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | C | 555 | ALA | 0 | 0.020 | 0.017 | 55.175 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | C | 556 | SER | 0 | -0.017 | -0.003 | 57.685 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | C | 557 | ALA | 0 | 0.038 | 0.022 | 59.078 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | C | 558 | ASN | 0 | -0.024 | -0.010 | 61.208 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | C | 559 | GLN | 0 | 0.069 | 0.046 | 58.079 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | C | 560 | VAL | 0 | -0.009 | -0.012 | 62.503 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | C | 561 | THR | 0 | 0.027 | 0.015 | 56.457 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | C | 562 | THR | 0 | -0.073 | -0.033 | 59.845 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | C | 563 | GLY | 0 | 0.067 | 0.031 | 57.612 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | C | 564 | VAL | 0 | -0.056 | -0.019 | 57.834 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | C | 565 | THR | 0 | 0.034 | 0.022 | 52.009 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | C | 566 | THR | 0 | -0.091 | -0.054 | 55.149 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | C | 567 | ARG | 1 | 0.839 | 0.888 | 48.788 | 6.313 | 6.313 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | C | 568 | ILE | 0 | -0.032 | -0.019 | 52.301 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | C | 569 | TYR | 0 | 0.014 | 0.010 | 49.042 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | C | 570 | ASP | -1 | -0.775 | -0.876 | 48.670 | -6.468 | -6.468 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | C | 571 | ASP | -1 | -0.925 | -0.973 | 51.678 | -6.170 | -6.170 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | C | 572 | ALA | 0 | -0.025 | -0.005 | 47.795 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | C | 573 | ALA | 0 | -0.032 | -0.014 | 48.639 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | C | 574 | VAL | 0 | -0.004 | -0.001 | 44.617 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | C | 575 | GLU | -1 | -0.809 | -0.880 | 46.675 | -6.538 | -6.538 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | C | 576 | ARG | 1 | 0.839 | 0.904 | 46.386 | 6.397 | 6.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | C | 577 | PHE | 0 | -0.008 | -0.023 | 48.175 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | C | 578 | ASN | 0 | -0.045 | -0.023 | 47.449 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | C | 579 | VAL | 0 | 0.032 | 0.029 | 50.922 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | C | 580 | SER | 0 | -0.009 | -0.010 | 51.069 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | C | 581 | VAL | 0 | -0.012 | -0.005 | 53.744 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | C | 582 | GLY | 0 | -0.003 | -0.009 | 56.265 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | C | 583 | GLN | 0 | 0.039 | 0.037 | 57.382 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | C | 584 | ILE | 0 | -0.029 | -0.013 | 57.185 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | C | 585 | TYR | 0 | -0.008 | 0.006 | 59.981 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | C | 586 | TYR | 0 | 0.003 | 0.004 | 57.849 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | C | 587 | PHE | 0 | -0.038 | -0.029 | 64.357 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | C | 588 | THR | 0 | -0.030 | -0.034 | 66.405 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | C | 589 | GLU | -1 | -0.863 | -0.933 | 63.847 | -4.987 | -4.987 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | C | 590 | SER | 0 | -0.072 | -0.049 | 58.997 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | C | 591 | ARG | 1 | 0.928 | 0.980 | 60.723 | 4.897 | 4.897 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | C | 592 | THR | 0 | 0.005 | -0.024 | 56.629 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | C | 593 | GLY | 0 | -0.024 | 0.003 | 59.398 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | C | 594 | ASP | -1 | -0.902 | -0.943 | 57.216 | -5.556 | -5.556 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | C | 595 | ASP | -1 | -0.765 | -0.898 | 57.295 | -5.587 | -5.587 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | C | 596 | ASN | 0 | -0.096 | -0.053 | 57.613 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | C | 597 | ILE | 0 | -0.029 | -0.007 | 55.175 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | C | 598 | LYS | 1 | 0.868 | 0.943 | 55.157 | 5.847 | 5.847 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | C | 599 | TRP | 0 | -0.011 | -0.012 | 55.922 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | C | 600 | GLU | -1 | -0.974 | -0.978 | 59.757 | -5.089 | -5.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | C | 601 | ASN | 0 | -0.006 | 0.010 | 61.794 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | C | 602 | ASP | -1 | -0.865 | -0.934 | 63.274 | -4.946 | -4.946 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | C | 603 | ASP | -1 | -0.905 | -0.949 | 64.443 | -4.787 | -4.787 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | C | 604 | LYS | 1 | 0.826 | 0.883 | 63.832 | 4.818 | 4.818 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | C | 605 | THR | 0 | -0.075 | -0.049 | 65.126 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | C | 606 | GLY | 0 | 0.008 | 0.010 | 66.430 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | C | 607 | SER | 0 | -0.053 | -0.055 | 63.183 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | C | 608 | LEU | 0 | 0.004 | 0.030 | 60.946 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | C | 609 | VAL | 0 | 0.025 | 0.021 | 55.182 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | C | 610 | TRP | 0 | -0.034 | -0.024 | 57.089 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | C | 611 | ALA | 0 | -0.014 | -0.004 | 51.893 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | C | 612 | GLY | 0 | -0.023 | -0.008 | 52.778 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | C | 613 | ASP | -1 | -0.895 | -0.942 | 47.842 | -6.758 | -6.758 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | C | 614 | THR | 0 | -0.035 | -0.021 | 48.670 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | C | 615 | TYR | 0 | 0.014 | 0.010 | 42.700 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | C | 616 | TRP | 0 | 0.014 | 0.001 | 46.562 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | C | 617 | ARG | 1 | 0.844 | 0.916 | 38.525 | 7.851 | 7.851 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | C | 618 | ILE | 0 | -0.013 | 0.004 | 45.733 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | C | 619 | SER | 0 | -0.026 | -0.033 | 45.538 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | C | 620 | GLU | -1 | -0.840 | -0.905 | 40.309 | -7.873 | -7.873 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | C | 621 | ARG | 1 | 0.936 | 0.968 | 40.263 | 7.544 | 7.544 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | C | 622 | TRP | 0 | -0.017 | -0.007 | 41.480 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | C | 623 | GLY | 0 | 0.040 | 0.029 | 42.401 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | C | 624 | LEU | 0 | -0.009 | -0.007 | 43.371 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | C | 625 | ARG | 1 | 0.947 | 0.978 | 39.153 | 7.852 | 7.852 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | C | 626 | SER | 0 | -0.028 | -0.029 | 45.277 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | C | 627 | GLY | 0 | 0.050 | 0.033 | 47.601 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | C | 628 | VAL | 0 | -0.027 | -0.007 | 48.514 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | C | 629 | GLN | 0 | 0.031 | 0.016 | 49.052 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | C | 630 | TYR | 0 | 0.033 | 0.007 | 52.524 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | C | 631 | ASP | -1 | -0.793 | -0.875 | 55.905 | -5.590 | -5.590 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | C | 632 | THR | 0 | 0.023 | -0.006 | 57.788 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | C | 633 | ARG | 1 | 0.826 | 0.908 | 57.368 | 5.543 | 5.543 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | C | 634 | LEU | 0 | -0.032 | -0.023 | 55.121 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | C | 635 | ASP | -1 | -0.835 | -0.900 | 59.686 | -5.078 | -5.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | C | 636 | SER | 0 | -0.017 | -0.024 | 57.459 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | C | 637 | VAL | 0 | -0.078 | -0.033 | 52.635 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | C | 638 | ALA | 0 | 0.033 | 0.023 | 52.423 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | C | 639 | THR | 0 | -0.054 | -0.050 | 47.282 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | C | 640 | SER | 0 | -0.022 | -0.019 | 48.187 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | C | 641 | SER | 0 | -0.043 | -0.016 | 43.336 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | C | 642 | SER | 0 | -0.004 | 0.009 | 44.974 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | C | 643 | SER | 0 | -0.014 | -0.017 | 41.192 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | C | 644 | LEU | 0 | -0.018 | 0.011 | 43.242 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | C | 645 | GLU | -1 | -0.717 | -0.821 | 36.290 | -8.974 | -8.974 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | C | 646 | TYR | 0 | -0.019 | 0.011 | 40.695 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | C | 647 | ARG | 1 | 0.949 | 0.943 | 31.452 | 9.351 | 9.351 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | C | 648 | ARG | 1 | 0.839 | 0.911 | 37.456 | 7.863 | 7.863 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | C | 649 | ASP | -1 | -0.809 | -0.912 | 32.146 | -9.868 | -9.868 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | C | 650 | GLN | 0 | -0.054 | -0.037 | 26.984 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | C | 651 | ASP | -1 | -0.885 | -0.926 | 28.586 | -10.731 | -10.731 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | C | 652 | ARG | 1 | 0.798 | 0.899 | 30.642 | 9.679 | 9.679 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | C | 653 | LEU | 0 | -0.027 | -0.010 | 32.196 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | C | 654 | VAL | 0 | 0.019 | 0.001 | 36.160 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | C | 655 | GLN | 0 | -0.068 | -0.044 | 36.628 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | C | 656 | LEU | 0 | 0.002 | 0.005 | 39.291 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | C | 657 | ASN | 0 | -0.038 | -0.031 | 38.518 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | C | 658 | TYR | 0 | 0.011 | -0.010 | 42.566 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | C | 659 | ARG | 1 | 0.952 | 0.971 | 39.818 | 7.710 | 7.710 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | C | 660 | TYR | 0 | 0.028 | 0.012 | 44.846 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | C | 661 | ALA | 0 | 0.015 | 0.010 | 46.758 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | C | 662 | SER | 0 | 0.006 | -0.002 | 48.677 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | C | 663 | PRO | 0 | 0.024 | 0.008 | 51.615 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | C | 664 | GLU | -1 | -0.799 | -0.881 | 53.214 | -5.762 | -5.762 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | C | 665 | TYR | 0 | 0.025 | 0.010 | 46.950 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | C | 666 | ILE | 0 | -0.027 | -0.018 | 47.151 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | C | 667 | GLN | 0 | -0.059 | -0.042 | 50.435 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | C | 668 | ALA | 0 | 0.013 | 0.017 | 53.616 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | C | 669 | THR | 0 | -0.041 | -0.013 | 47.787 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | C | 670 | LEU | 0 | -0.033 | -0.003 | 44.689 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | C | 671 | PRO | 0 | 0.013 | 0.006 | 46.661 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | C | 672 | SER | 0 | 0.018 | -0.011 | 49.718 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | C | 673 | TYR | 0 | -0.005 | 0.016 | 45.103 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | C | 674 | TYR | 0 | 0.069 | 0.019 | 42.400 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | C | 675 | SER | 0 | 0.012 | 0.001 | 49.031 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | C | 676 | THR | 0 | -0.064 | -0.037 | 51.976 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | C | 677 | ALA | 0 | 0.019 | 0.013 | 48.700 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | C | 678 | GLU | -1 | -0.877 | -0.947 | 49.601 | -6.234 | -6.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | C | 679 | GLN | 0 | -0.020 | -0.008 | 44.266 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | C | 680 | TYR | 0 | 0.008 | -0.003 | 42.004 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | C | 681 | LYS | 1 | 0.868 | 0.961 | 47.395 | 5.890 | 5.890 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | C | 682 | ASN | 0 | -0.011 | -0.015 | 49.591 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | C | 683 | GLY | 0 | 0.007 | 0.020 | 48.788 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | C | 684 | ILE | 0 | -0.026 | -0.008 | 43.405 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | C | 685 | ASN | 0 | 0.045 | 0.024 | 46.407 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | C | 686 | GLN | 0 | 0.026 | 0.035 | 40.152 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | C | 687 | VAL | 0 | 0.008 | 0.007 | 44.409 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | C | 688 | GLY | 0 | 0.033 | 0.015 | 40.236 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | C | 689 | ALA | 0 | -0.055 | -0.019 | 39.766 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | C | 690 | VAL | 0 | 0.007 | -0.001 | 33.524 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | C | 691 | ALA | 0 | -0.016 | -0.006 | 35.163 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | C | 692 | SER | 0 | 0.013 | -0.002 | 29.999 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | C | 693 | TRP | 0 | 0.057 | 0.010 | 32.943 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | C | 694 | PRO | 0 | 0.046 | 0.036 | 32.366 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | C | 695 | ILE | 0 | -0.075 | -0.038 | 33.761 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | C | 696 | ALA | 0 | 0.002 | 0.018 | 33.957 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | C | 697 | ASP | -1 | -0.937 | -0.982 | 33.882 | -9.383 | -9.383 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | C | 698 | ARG | 1 | 0.951 | 0.976 | 29.143 | 9.477 | 9.477 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | C | 699 | TRP | 0 | -0.055 | -0.013 | 28.867 | -0.441 | -0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | C | 700 | SER | 0 | -0.011 | -0.021 | 28.143 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | C | 701 | ILE | 0 | -0.018 | -0.011 | 30.225 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | C | 702 | VAL | 0 | 0.010 | -0.001 | 28.980 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | C | 703 | GLY | 0 | 0.020 | 0.002 | 32.109 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | C | 704 | ALA | 0 | -0.013 | 0.001 | 33.374 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | C | 705 | TYR | 0 | -0.032 | -0.015 | 35.062 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | C | 706 | TYR | 0 | 0.046 | 0.022 | 34.793 | 0.236 | 0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | C | 707 | PHE | 0 | -0.015 | -0.006 | 39.863 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | C | 708 | ASP | -1 | -0.830 | -0.909 | 43.320 | -6.820 | -6.820 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | C | 709 | THR | 0 | -0.027 | -0.043 | 45.502 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | C | 710 | ASN | 0 | -0.079 | -0.047 | 49.051 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | C | 711 | SER | 0 | 0.029 | 0.008 | 47.035 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | C | 712 | SER | 0 | -0.072 | -0.025 | 48.972 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | C | 713 | LYS | 1 | 0.942 | 0.974 | 44.377 | 6.826 | 6.826 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | C | 714 | PRO | 0 | -0.028 | -0.001 | 40.653 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | C | 715 | ALA | 0 | 0.024 | 0.023 | 39.610 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | C | 716 | ASP | -1 | -0.773 | -0.909 | 33.637 | -9.652 | -9.652 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | C | 717 | GLN | 0 | -0.021 | -0.008 | 35.293 | 0.296 | 0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | C | 718 | MET | 0 | 0.007 | 0.036 | 30.140 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | C | 719 | LEU | 0 | -0.020 | -0.019 | 31.737 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | C | 720 | GLY | 0 | 0.019 | -0.007 | 29.044 | -0.354 | -0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | C | 721 | LEU | 0 | -0.037 | -0.012 | 28.802 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | C | 722 | GLN | 0 | 0.069 | 0.008 | 24.360 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | C | 723 | TYR | 0 | -0.006 | 0.006 | 25.201 | 0.717 | 0.717 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | C | 724 | ASN | 0 | -0.017 | -0.001 | 22.663 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | C | 725 | SER | 0 | -0.005 | -0.013 | 23.268 | 0.695 | 0.695 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | C | 726 | CYS | 0 | -0.036 | -0.022 | 21.127 | -0.523 | -0.523 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | C | 727 | CYS | 0 | 0.003 | 0.003 | 21.225 | -0.422 | -0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | C | 728 | TYR | 0 | 0.022 | 0.024 | 17.667 | -0.409 | -0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | C | 729 | ALA | 0 | 0.047 | 0.024 | 19.014 | 0.909 | 0.909 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | C | 730 | ILE | 0 | -0.026 | -0.008 | 19.936 | -0.424 | -0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | C | 731 | ARG | 0 | -0.003 | -0.012 | 20.183 | 0.420 | 0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | C | 732 | VAL | 0 | -0.017 | -0.009 | 23.667 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | C | 733 | GLY | 0 | 0.042 | 0.020 | 25.893 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | C | 734 | TYR | 0 | -0.079 | -0.048 | 27.097 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | C | 735 | GLU | -1 | -0.719 | -0.864 | 28.841 | -10.311 | -10.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | C | 736 | ARG | 1 | 0.851 | 0.930 | 30.854 | 8.188 | 8.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | C | 737 | LYS | 1 | 0.875 | 0.945 | 29.262 | 10.574 | 10.574 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | C | 738 | LEU | 0 | 0.005 | 0.006 | 35.334 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | C | 739 | ASN | 0 | -0.043 | -0.053 | 32.358 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | C | 740 | GLY | 0 | 0.055 | 0.029 | 35.840 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | C | 741 | TRP | 0 | -0.022 | -0.020 | 39.005 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | C | 742 | ASP | -1 | -0.879 | -0.943 | 42.812 | -6.960 | -6.960 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | C | 743 | ASN | 0 | -0.004 | -0.024 | 44.772 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | C | 744 | ASP | -1 | -0.949 | -0.954 | 47.364 | -6.054 | -6.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | C | 745 | LYS | 1 | 0.909 | 0.947 | 48.346 | 6.227 | 6.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | C | 746 | GLN | 0 | -0.036 | -0.008 | 48.827 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | C | 747 | HIS | 0 | 0.016 | 0.010 | 46.449 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | C | 748 | ALA | 0 | 0.038 | 0.024 | 42.239 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | C | 749 | ILE | 0 | -0.026 | 0.011 | 37.271 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | C | 750 | TYR | 0 | -0.052 | -0.057 | 37.578 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | C | 751 | ASP | -1 | -0.843 | -0.917 | 31.031 | -10.194 | -10.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | C | 752 | ASN | 0 | -0.004 | -0.003 | 33.117 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | C | 753 | ALA | 0 | 0.042 | 0.012 | 27.516 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | C | 754 | ILE | 0 | -0.012 | 0.002 | 28.253 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | C | 755 | GLY | 0 | 0.009 | -0.001 | 24.090 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | C | 756 | PHE | 0 | -0.029 | -0.015 | 21.337 | 0.417 | 0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | C | 757 | ASN | 0 | -0.002 | -0.019 | 17.245 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | C | 758 | ILE | -1 | -0.871 | -0.927 | 15.887 | -18.222 | -18.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | C | 771 | THR | 0 | 0.028 | 0.015 | 25.337 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | C | 772 | GLN | 0 | 0.037 | -0.003 | 25.431 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | C | 773 | GLU | -1 | -0.903 | -0.944 | 19.439 | -15.636 | -15.636 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | C | 774 | MET | 0 | -0.023 | 0.019 | 23.524 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | C | 775 | LEU | 0 | -0.051 | -0.010 | 25.905 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | C | 776 | ARG | 1 | 0.896 | 0.946 | 25.077 | 11.846 | 11.846 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | C | 777 | SER | 0 | -0.046 | -0.020 | 24.645 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | C | 778 | ASN | 0 | -0.030 | -0.018 | 25.905 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | C | 779 | ILE | 0 | 0.002 | -0.007 | 29.361 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | C | 780 | LEU | 0 | -0.042 | -0.003 | 31.315 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | C | 781 | PRO | 0 | 0.010 | 0.017 | 28.776 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | C | 782 | TYR | 0 | -0.029 | -0.029 | 30.756 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | C | 783 | GLN | 0 | -0.024 | -0.031 | 30.803 | -0.605 | -0.605 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | C | 784 | SER | 0 | -0.045 | -0.024 | 33.044 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | C | 785 | SER | 0 | -0.004 | -0.016 | 35.237 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | C | 786 | MET | -1 | -0.952 | -0.945 | 37.146 | -8.261 | -8.261 | 0.000 | 0.000 | 0.000 | 0.000 |