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: V65R1
Calculation Name: 3C98-A-Xray549
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 3C98
Chain ID: A
UniProt ID: P32851
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 | 563 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -12236616.609382 |
|---|---|
| FMO2-HF: Nuclear repulsion | 12009501.350338 |
| FMO2-HF: Total energy | -227115.259044 |
| FMO2-MP2: Total energy | -227771.465818 |
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(A:4:ILE)
Summations of interaction energy for
fragment #1(A:4:ILE)
| 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. |
| -110.914 | -103.775 | 6.555 | -4.97 | -8.723 | -0.022 |
Interaction energy analysis for fragmet #1(A:4:ILE)
| 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 | A | 6 | LEU | 0 | 0.027 | 0.008 | 3.548 | -2.860 | -0.601 | 0.010 | -1.004 | -1.265 | 0.000 |
| 5 | A | 8 | ALA | 0 | -0.018 | 0.001 | 2.210 | 1.246 | 1.536 | 1.925 | -0.773 | -1.441 | -0.003 |
| 6 | A | 9 | VAL | 0 | 0.016 | 0.008 | 2.465 | 1.180 | 2.302 | 1.566 | -0.619 | -2.068 | -0.005 |
| 7 | A | 10 | VAL | 0 | 0.018 | 0.011 | 3.768 | 4.422 | 4.560 | 0.007 | -0.022 | -0.123 | 0.000 |
| 9 | A | 12 | GLU | -1 | -0.980 | -1.000 | 2.906 | -53.816 | -51.127 | 0.678 | -1.576 | -1.792 | -0.016 |
| 503 | A | 532 | ARG | 1 | 0.926 | 0.933 | 2.083 | 51.982 | 52.623 | 2.369 | -0.976 | -2.034 | 0.002 |
| 4 | A | 7 | LYS | 1 | 0.842 | 0.925 | 6.115 | 28.240 | 28.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 11 | GLY | 0 | 0.043 | 0.018 | 6.879 | 2.779 | 2.779 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 13 | LYS | 1 | 0.909 | 0.972 | 6.349 | 25.096 | 25.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 14 | ILE | 0 | 0.033 | 0.014 | 8.018 | 2.442 | 2.442 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 15 | MET | 0 | 0.000 | -0.012 | 10.243 | 2.299 | 2.299 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 16 | HIS | 0 | -0.111 | -0.060 | 10.025 | 1.831 | 1.831 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 17 | ASP | -1 | -0.856 | -0.927 | 11.374 | -19.054 | -19.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 18 | VAL | 0 | -0.056 | -0.027 | 13.403 | 1.270 | 1.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 19 | ILE | 0 | -0.024 | -0.015 | 14.858 | 0.917 | 0.917 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 20 | LYS | 1 | 0.920 | 0.959 | 12.060 | 20.961 | 20.961 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 21 | LYS | 1 | 0.928 | 0.991 | 16.375 | 15.099 | 15.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 22 | VAL | 0 | -0.008 | -0.005 | 18.089 | 0.787 | 0.787 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 23 | LYS | 1 | 0.822 | 0.920 | 18.524 | 15.323 | 15.323 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 24 | LYS | 1 | 0.938 | 0.965 | 22.022 | 10.663 | 10.663 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 25 | LYS | 1 | 0.956 | 0.964 | 25.391 | 10.811 | 10.811 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 26 | GLY | 0 | 0.008 | 0.007 | 27.309 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 27 | GLU | -1 | -0.946 | -0.974 | 27.467 | -9.745 | -9.745 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 28 | TRP | 0 | -0.018 | 0.007 | 24.093 | -0.400 | -0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 29 | LYS | 1 | 0.846 | 0.936 | 24.025 | 11.347 | 11.347 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 30 | VAL | 0 | 0.017 | 0.011 | 25.384 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 31 | LEU | 0 | -0.021 | -0.006 | 19.026 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 32 | VAL | 0 | -0.011 | -0.003 | 23.324 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 33 | VAL | 0 | 0.014 | 0.009 | 20.342 | -0.383 | -0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 34 | ASP | -1 | -0.737 | -0.802 | 22.537 | -12.085 | -12.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 35 | GLN | 0 | 0.030 | 0.011 | 22.319 | -0.420 | -0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 36 | LEU | 0 | 0.055 | 0.032 | 18.048 | -0.441 | -0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 37 | SER | 0 | 0.037 | -0.012 | 17.881 | -0.833 | -0.833 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 38 | MET | 0 | -0.044 | -0.012 | 17.550 | -1.021 | -1.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 39 | ARG | 1 | 0.876 | 0.914 | 18.124 | 14.133 | 14.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 40 | MET | 0 | -0.029 | 0.010 | 13.142 | -1.133 | -1.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 41 | LEU | 0 | 0.022 | 0.010 | 13.172 | -1.520 | -1.520 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 42 | SER | 0 | -0.013 | -0.011 | 13.808 | -1.207 | -1.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 43 | SER | 0 | -0.047 | -0.024 | 12.569 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 44 | CYS | 0 | -0.124 | -0.065 | 8.835 | -1.867 | -1.867 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 45 | CYS | 0 | -0.031 | -0.002 | 10.231 | -1.785 | -1.785 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 46 | LYS | 1 | 0.885 | 0.943 | 12.985 | 20.847 | 20.847 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 47 | MET | 0 | 0.027 | -0.002 | 16.432 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 48 | THR | 0 | 0.016 | -0.004 | 17.913 | 0.456 | 0.456 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 49 | ASP | -1 | -0.822 | -0.880 | 14.232 | -20.171 | -20.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 50 | ILE | 0 | 0.027 | -0.006 | 16.371 | 0.388 | 0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 51 | MET | 0 | -0.050 | -0.012 | 18.224 | 0.590 | 0.590 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 52 | THR | 0 | -0.050 | -0.025 | 18.207 | 0.777 | 0.777 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 53 | GLU | -1 | -0.889 | -0.951 | 15.502 | -16.534 | -16.534 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 54 | GLY | 0 | 0.018 | 0.017 | 18.989 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 55 | ILE | 0 | -0.004 | -0.002 | 20.080 | 0.563 | 0.563 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 56 | THR | 0 | -0.009 | -0.025 | 22.776 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 57 | ILE | 0 | -0.024 | -0.005 | 25.545 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 58 | VAL | 0 | 0.002 | -0.002 | 21.628 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 59 | GLU | -1 | -0.867 | -0.941 | 24.625 | -9.720 | -9.720 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 60 | ASP | -1 | -0.797 | -0.893 | 25.953 | -11.073 | -11.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 61 | ILE | 0 | 0.036 | 0.004 | 26.983 | 0.464 | 0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 62 | ASN | 0 | -0.048 | -0.028 | 28.077 | 0.640 | 0.640 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 63 | LYS | 1 | 0.869 | 0.933 | 28.714 | 10.753 | 10.753 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 64 | ARG | 1 | 0.922 | 0.948 | 32.886 | 7.695 | 7.695 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 65 | ARG | 1 | 0.814 | 0.903 | 29.607 | 9.715 | 9.715 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 66 | GLU | -1 | -0.924 | -0.957 | 33.974 | -8.106 | -8.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 67 | PRO | 0 | -0.080 | -0.046 | 34.372 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 68 | LEU | 0 | 0.050 | 0.041 | 31.543 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 69 | PRO | 0 | 0.035 | 0.011 | 33.721 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 70 | SER | 0 | -0.044 | -0.033 | 35.315 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 71 | LEU | 0 | -0.007 | 0.004 | 29.831 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 72 | GLU | -1 | -0.860 | -0.917 | 27.968 | -9.834 | -9.834 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 73 | ALA | 0 | 0.008 | 0.008 | 26.467 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 74 | VAL | 0 | -0.010 | -0.007 | 19.963 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 75 | TYR | 0 | -0.018 | -0.051 | 23.150 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 76 | LEU | 0 | 0.002 | 0.015 | 16.010 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 77 | ILE | 0 | -0.013 | -0.011 | 20.196 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 78 | THR | 0 | 0.030 | -0.008 | 21.147 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 79 | PRO | 0 | -0.020 | 0.011 | 21.641 | 0.420 | 0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 80 | SER | 0 | -0.029 | -0.034 | 24.614 | 0.520 | 0.520 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 81 | GLU | -1 | -0.827 | -0.937 | 27.350 | -8.882 | -8.882 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 82 | LYS | 1 | 0.931 | 0.974 | 30.217 | 9.455 | 9.455 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 83 | SER | 0 | -0.015 | -0.030 | 25.764 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 84 | VAL | 0 | 0.035 | 0.021 | 27.917 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 85 | HIS | 0 | -0.022 | -0.031 | 29.950 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 86 | SER | 0 | -0.083 | -0.031 | 30.760 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 87 | LEU | 0 | 0.039 | 0.017 | 27.486 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 88 | ILE | 0 | -0.004 | -0.007 | 30.961 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 89 | SER | 0 | -0.068 | -0.057 | 34.304 | 0.366 | 0.366 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 90 | ASP | -1 | -0.782 | -0.832 | 31.331 | -9.187 | -9.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 91 | PHE | 0 | -0.015 | -0.021 | 31.164 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 92 | LYS | 1 | 0.899 | 0.973 | 36.626 | 7.710 | 7.710 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 93 | ASP | -1 | -0.855 | -0.927 | 39.564 | -6.933 | -6.933 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 94 | PRO | 0 | -0.006 | -0.023 | 40.732 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 95 | PRO | 0 | -0.021 | -0.018 | 41.436 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 96 | THR | 0 | -0.050 | -0.012 | 41.043 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 97 | ALA | 0 | 0.029 | 0.020 | 36.961 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 98 | LYS | 1 | 0.892 | 0.956 | 33.104 | 8.191 | 8.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 99 | TYR | 0 | 0.028 | 0.015 | 30.214 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 100 | ARG | 1 | 0.903 | 0.958 | 32.287 | 8.829 | 8.829 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 101 | ALA | 0 | -0.024 | -0.028 | 30.144 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 102 | ALA | 0 | 0.022 | 0.027 | 27.634 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 103 | HIS | 0 | -0.081 | -0.044 | 22.848 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 104 | VAL | 0 | 0.012 | 0.000 | 23.223 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 105 | PHE | 0 | -0.008 | -0.014 | 17.501 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 106 | PHE | 0 | 0.044 | 0.015 | 19.883 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 107 | THR | 0 | 0.005 | -0.016 | 16.977 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 108 | ASP | -1 | -0.858 | -0.935 | 16.827 | -14.985 | -14.985 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 109 | SER | 0 | 0.030 | 0.000 | 19.368 | 0.404 | 0.404 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 110 | CYS | 0 | -0.071 | -0.038 | 22.283 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 111 | PRO | 0 | 0.028 | 0.032 | 25.476 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 112 | ASP | -1 | -0.835 | -0.932 | 28.535 | -9.275 | -9.275 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 113 | ALA | 0 | -0.043 | -0.023 | 31.374 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 114 | LEU | 0 | 0.035 | 0.025 | 29.342 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 115 | PHE | 0 | 0.019 | 0.007 | 27.398 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 116 | ASN | 0 | 0.000 | -0.020 | 30.859 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 117 | GLU | -1 | -0.903 | -0.941 | 34.281 | -8.011 | -8.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 118 | LEU | 0 | 0.003 | 0.007 | 28.760 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 119 | VAL | 0 | -0.005 | 0.001 | 32.098 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 120 | LYS | 1 | 0.905 | 0.961 | 34.310 | 7.763 | 7.763 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 121 | SER | 0 | -0.042 | -0.012 | 34.742 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 122 | ARG | 1 | 0.889 | 0.926 | 36.952 | 7.016 | 7.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 123 | ALA | 0 | 0.048 | 0.025 | 32.457 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 124 | ALA | 0 | 0.014 | 0.025 | 33.062 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 125 | LYS | 1 | 0.904 | 0.955 | 33.875 | 7.317 | 7.317 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 126 | VAL | 0 | -0.029 | -0.020 | 32.529 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 127 | ILE | 0 | 0.009 | 0.018 | 27.589 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 128 | LYS | 1 | 0.858 | 0.922 | 27.564 | 9.576 | 9.576 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 129 | THR | 0 | -0.075 | -0.040 | 21.579 | -0.309 | -0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 130 | LEU | 0 | 0.047 | 0.037 | 24.121 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 131 | THR | 0 | -0.039 | -0.007 | 18.654 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 132 | GLU | -1 | -0.801 | -0.889 | 18.854 | -12.325 | -12.325 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 133 | ILE | 0 | -0.028 | -0.016 | 13.129 | -0.380 | -0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 134 | ASN | 0 | 0.015 | 0.016 | 13.367 | -0.854 | -0.854 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 135 | ILE | 0 | -0.030 | -0.020 | 9.602 | -1.402 | -1.402 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 136 | ALA | 0 | 0.030 | 0.015 | 13.551 | 0.726 | 0.726 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 137 | PHE | 0 | 0.013 | 0.008 | 9.555 | 0.478 | 0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 138 | LEU | 0 | 0.001 | 0.004 | 13.719 | -0.788 | -0.788 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 139 | PRO | 0 | 0.019 | 0.012 | 8.900 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 140 | TYR | 0 | -0.046 | -0.042 | 10.867 | -0.993 | -0.993 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 141 | GLU | -1 | -0.794 | -0.872 | 10.459 | -22.726 | -22.726 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 142 | SER | 0 | -0.061 | -0.045 | 5.514 | -1.401 | -1.401 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 143 | GLN | 0 | -0.029 | -0.034 | 7.011 | -5.579 | -5.579 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 144 | VAL | 0 | 0.009 | 0.013 | 9.497 | 2.521 | 2.521 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 145 | TYR | 0 | -0.029 | -0.023 | 12.124 | -0.790 | -0.790 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 146 | SER | 0 | -0.001 | -0.004 | 13.816 | 1.578 | 1.578 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 147 | LEU | 0 | -0.009 | -0.004 | 16.737 | -0.548 | -0.548 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 148 | ASP | -1 | -0.850 | -0.912 | 19.142 | -13.814 | -13.814 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 149 | SER | 0 | -0.007 | -0.002 | 21.166 | 0.611 | 0.611 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 150 | ALA | 0 | 0.046 | 0.009 | 24.692 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 151 | ASP | -1 | -0.864 | -0.920 | 26.576 | -10.696 | -10.696 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 152 | SER | 0 | -0.002 | -0.020 | 26.747 | 0.437 | 0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 153 | PHE | 0 | -0.028 | -0.005 | 28.836 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 154 | GLN | 0 | 0.032 | -0.005 | 30.212 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 155 | SER | 0 | -0.032 | -0.026 | 31.403 | 0.388 | 0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 156 | PHE | 0 | -0.014 | -0.014 | 26.803 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 157 | TYR | 0 | -0.026 | -0.027 | 29.231 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 158 | SER | 0 | 0.006 | 0.009 | 35.085 | 0.270 | 0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 159 | PRO | 0 | -0.006 | -0.014 | 37.889 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 160 | HIS | 0 | -0.021 | -0.002 | 40.930 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 161 | LYS | 1 | 0.903 | 0.948 | 34.261 | 8.931 | 8.931 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 162 | ALA | 0 | -0.004 | 0.014 | 37.194 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 163 | GLN | 0 | 0.001 | -0.014 | 37.874 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 164 | MET | 0 | -0.025 | -0.014 | 36.626 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 165 | LYS | 1 | 0.859 | 0.940 | 32.357 | 8.732 | 8.732 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 166 | ASN | 0 | 0.002 | 0.003 | 31.478 | -0.506 | -0.506 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 167 | PRO | 0 | 0.073 | 0.028 | 30.781 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 168 | ILE | 0 | -0.043 | -0.015 | 27.657 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 169 | LEU | 0 | -0.011 | -0.006 | 26.739 | -0.472 | -0.472 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 170 | GLU | -1 | -0.832 | -0.892 | 25.824 | -10.722 | -10.722 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 171 | ARG | 1 | 0.985 | 1.000 | 23.754 | 11.386 | 11.386 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 172 | LEU | 0 | -0.051 | -0.036 | 22.103 | -0.629 | -0.629 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 173 | ALA | 0 | 0.030 | 0.009 | 20.934 | -0.741 | -0.741 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 174 | GLU | -1 | -0.811 | -0.885 | 20.709 | -12.299 | -12.299 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 175 | GLN | 0 | -0.068 | -0.048 | 18.286 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 176 | ILE | 0 | 0.000 | 0.002 | 16.503 | -1.213 | -1.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 177 | ALA | 0 | 0.051 | 0.037 | 16.053 | -0.982 | -0.982 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 178 | THR | 0 | -0.020 | -0.021 | 14.662 | -1.131 | -1.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 179 | LEU | 0 | -0.047 | -0.017 | 10.214 | -1.515 | -1.515 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 180 | CYS | 0 | -0.038 | -0.016 | 11.159 | -1.701 | -1.701 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 181 | ALA | 0 | 0.066 | 0.030 | 12.372 | -0.990 | -0.990 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 182 | THR | 0 | -0.058 | -0.034 | 7.843 | -0.813 | -0.813 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 183 | LEU | 0 | -0.069 | -0.034 | 6.182 | -3.025 | -3.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 184 | LYS | 1 | 0.939 | 0.977 | 8.712 | 21.334 | 21.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 185 | GLU | -1 | -0.792 | -0.865 | 10.207 | -23.934 | -23.934 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 186 | TYR | 0 | -0.015 | -0.046 | 13.304 | 0.409 | 0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 187 | PRO | 0 | -0.037 | -0.011 | 15.576 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 188 | ALA | 0 | 0.042 | 0.022 | 17.895 | 0.645 | 0.645 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 189 | VAL | 0 | -0.006 | -0.002 | 20.933 | -0.385 | -0.385 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 190 | ARG | 1 | 0.821 | 0.902 | 22.664 | 12.738 | 12.738 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 191 | TYR | 0 | 0.005 | 0.001 | 24.124 | -0.285 | -0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 192 | ARG | 1 | 0.796 | 0.864 | 26.655 | 10.362 | 10.362 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 193 | GLY | 0 | 0.014 | -0.004 | 29.082 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 194 | GLU | -1 | -0.864 | -0.891 | 32.301 | -8.596 | -8.596 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 195 | TYR | 0 | -0.010 | 0.005 | 30.950 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 196 | LYS | 1 | 0.936 | 0.945 | 31.965 | 8.330 | 8.330 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 197 | ASP | -1 | -0.826 | -0.904 | 31.515 | -9.199 | -9.199 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 198 | ASN | 0 | -0.004 | -0.025 | 27.759 | -0.407 | -0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 199 | ALA | 0 | 0.026 | 0.015 | 27.657 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 200 | LEU | 0 | -0.037 | -0.009 | 29.438 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 201 | LEU | 0 | 0.001 | 0.004 | 23.384 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 202 | ALA | 0 | 0.009 | 0.002 | 24.564 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 203 | GLN | 0 | -0.071 | -0.048 | 25.222 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 204 | LEU | 0 | 0.029 | 0.012 | 26.571 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 205 | ILE | 0 | -0.025 | -0.005 | 20.316 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 206 | GLN | 0 | -0.045 | -0.028 | 22.496 | -0.393 | -0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 207 | ASP | -1 | -0.820 | -0.905 | 24.104 | -10.607 | -10.607 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 208 | LYS | 1 | 0.739 | 0.845 | 22.264 | 11.480 | 11.480 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 209 | LEU | 0 | -0.015 | -0.015 | 17.688 | -0.520 | -0.520 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 210 | ASP | -1 | -0.839 | -0.892 | 20.792 | -12.233 | -12.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 211 | ALA | 0 | -0.020 | -0.001 | 23.403 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 212 | TYR | 0 | 0.007 | -0.019 | 17.881 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 213 | LYS | 1 | 0.829 | 0.917 | 19.472 | 13.895 | 13.895 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 214 | ALA | 0 | -0.065 | -0.023 | 20.693 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 215 | ASP | -1 | -0.925 | -0.948 | 20.832 | -11.880 | -11.880 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 216 | ASP | -1 | -0.914 | -0.939 | 15.589 | -16.387 | -16.387 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 217 | PRO | 0 | 0.006 | -0.003 | 18.743 | -0.466 | -0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 218 | THR | 0 | -0.079 | -0.055 | 15.844 | -0.422 | -0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 219 | MET | 0 | -0.032 | -0.001 | 14.779 | -1.080 | -1.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 220 | GLY | 0 | -0.011 | -0.021 | 14.561 | 0.922 | 0.922 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 221 | GLU | -1 | -0.947 | -0.953 | 15.711 | -14.168 | -14.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 222 | GLY | 0 | 0.004 | -0.010 | 14.651 | -1.231 | -1.231 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 223 | PRO | 0 | -0.048 | -0.037 | 15.752 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 224 | ASP | -1 | -0.910 | -0.954 | 12.738 | -20.109 | -20.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 225 | LYS | 1 | 0.890 | 0.935 | 8.666 | 25.990 | 25.990 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 226 | ALA | 0 | 0.031 | 0.030 | 14.377 | 0.441 | 0.441 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 227 | ARG | 1 | 0.907 | 0.954 | 16.888 | 16.623 | 16.623 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 228 | SER | 0 | -0.007 | -0.013 | 13.278 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 229 | GLN | 0 | 0.000 | 0.010 | 16.068 | 1.485 | 1.485 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 230 | LEU | 0 | 0.000 | 0.005 | 16.898 | -1.080 | -1.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 231 | LEU | 0 | -0.003 | -0.003 | 18.948 | 0.862 | 0.862 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 232 | ILE | 0 | -0.027 | -0.009 | 21.036 | -0.444 | -0.444 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 233 | LEU | 0 | 0.015 | -0.002 | 23.354 | 0.607 | 0.607 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 234 | ASP | -1 | -0.702 | -0.809 | 25.638 | -10.589 | -10.589 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 235 | ARG | 1 | 0.707 | 0.795 | 24.660 | 12.257 | 12.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 236 | GLY | 0 | 0.052 | 0.025 | 28.588 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 237 | PHE | 0 | -0.075 | -0.040 | 24.893 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 238 | ASP | -1 | -0.719 | -0.829 | 27.753 | -11.103 | -11.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 239 | PRO | 0 | 0.006 | 0.020 | 29.237 | -0.313 | -0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 240 | SER | 0 | 0.000 | -0.007 | 31.079 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 241 | SER | 0 | -0.027 | -0.051 | 25.828 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 242 | PRO | 0 | -0.016 | -0.005 | 26.829 | -0.211 | -0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 243 | VAL | 0 | 0.004 | -0.002 | 28.023 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 244 | LEU | 0 | -0.016 | 0.015 | 29.200 | 0.262 | 0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 245 | HIS | 1 | 0.813 | 0.899 | 29.164 | 9.195 | 9.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 246 | GLU | -1 | -0.824 | -0.890 | 24.994 | -12.411 | -12.411 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 247 | LEU | 0 | 0.021 | -0.004 | 26.665 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 248 | THR | 0 | -0.011 | 0.009 | 21.048 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 249 | PHE | 0 | 0.012 | -0.003 | 19.618 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 250 | GLN | 0 | 0.007 | 0.006 | 15.527 | 0.329 | 0.329 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 251 | ALA | 0 | -0.007 | -0.014 | 20.178 | 0.347 | 0.347 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 252 | MET | 0 | -0.031 | 0.009 | 22.751 | 0.380 | 0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 253 | SER | 0 | 0.015 | -0.029 | 22.649 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 254 | TYR | 0 | -0.061 | -0.068 | 19.458 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 255 | ASP | -1 | -0.821 | -0.884 | 24.962 | -10.289 | -10.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 256 | LEU | 0 | -0.058 | -0.026 | 28.045 | 0.420 | 0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 257 | LEU | 0 | -0.024 | -0.003 | 26.804 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 258 | PRO | 0 | -0.001 | 0.007 | 28.498 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 259 | ILE | 0 | -0.051 | -0.023 | 22.954 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 260 | GLU | -1 | -0.899 | -0.944 | 25.605 | -11.175 | -11.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 261 | ASN | 0 | -0.053 | -0.047 | 21.710 | -0.582 | -0.582 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 262 | ASP | -1 | -0.754 | -0.838 | 18.420 | -16.984 | -16.984 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 263 | VAL | 0 | -0.026 | -0.006 | 20.941 | -0.353 | -0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 264 | TYR | 0 | 0.009 | -0.013 | 23.490 | 0.360 | 0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 265 | LYS | 1 | 0.861 | 0.909 | 25.470 | 9.908 | 9.908 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 266 | TYR | 0 | -0.021 | -0.018 | 25.774 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 267 | GLU | -1 | -0.909 | -0.958 | 30.831 | -8.626 | -8.626 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 268 | THR | 0 | -0.002 | -0.002 | 30.251 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 269 | SER | 0 | -0.035 | -0.002 | 33.501 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 270 | GLY | 0 | 0.046 | 0.028 | 31.904 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 271 | ILE | 0 | -0.040 | -0.031 | 30.211 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 272 | GLY | 0 | -0.009 | -0.013 | 34.108 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 273 | GLU | -1 | -0.905 | -0.952 | 37.124 | -7.755 | -7.755 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 274 | ALA | 0 | -0.041 | -0.011 | 36.301 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 275 | ARG | 1 | 0.985 | 0.988 | 32.441 | 9.588 | 9.588 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 276 | VAL | 0 | 0.059 | 0.027 | 31.808 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 277 | LYS | 1 | 0.812 | 0.915 | 25.775 | 11.729 | 11.729 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 278 | GLU | -1 | -0.814 | -0.894 | 26.661 | -10.529 | -10.529 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 279 | VAL | 0 | -0.066 | -0.044 | 21.423 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 280 | LEU | 0 | -0.009 | 0.011 | 17.428 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 281 | LEU | 0 | -0.031 | -0.006 | 18.206 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 282 | ASP | -1 | -0.757 | -0.882 | 13.627 | -20.589 | -20.589 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 283 | GLU | -1 | -0.795 | -0.909 | 8.403 | -34.446 | -34.446 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 284 | ASP | -1 | -0.877 | -0.920 | 10.637 | -25.331 | -25.331 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 285 | ASP | -1 | -0.833 | -0.950 | 12.813 | -15.668 | -15.668 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 286 | ASP | -1 | -0.863 | -0.924 | 11.487 | -24.672 | -24.672 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 287 | LEU | 0 | -0.062 | -0.023 | 13.348 | 0.371 | 0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 288 | TRP | 0 | -0.005 | 0.002 | 14.619 | 0.762 | 0.762 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 289 | ILE | 0 | -0.001 | -0.004 | 8.958 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 290 | ALA | 0 | -0.048 | -0.018 | 12.807 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 291 | LEU | 0 | -0.052 | -0.036 | 14.764 | 1.039 | 1.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 292 | ARG | 1 | 0.799 | 0.905 | 9.624 | 26.642 | 26.642 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 293 | HIS | 0 | 0.051 | 0.013 | 13.333 | 1.799 | 1.799 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 294 | LYS | 1 | 0.892 | 0.973 | 17.880 | 15.262 | 15.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 295 | HIS | 0 | 0.076 | 0.024 | 20.540 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 296 | ILE | 0 | 0.032 | 0.008 | 24.214 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 297 | ALA | 0 | -0.022 | -0.006 | 26.226 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 298 | GLU | -1 | -0.888 | -0.931 | 23.482 | -12.720 | -12.720 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 299 | VAL | 0 | -0.018 | 0.007 | 21.994 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 300 | SER | 0 | 0.049 | 0.017 | 24.075 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 301 | GLN | 0 | -0.004 | -0.003 | 26.331 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 302 | GLU | -1 | -0.817 | -0.887 | 20.485 | -14.273 | -14.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 303 | VAL | 0 | 0.030 | 0.010 | 21.962 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 304 | THR | 0 | -0.050 | -0.031 | 23.819 | 0.217 | 0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 305 | ARG | 1 | 0.831 | 0.900 | 21.581 | 13.786 | 13.786 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 306 | SER | 0 | 0.031 | 0.021 | 20.165 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 307 | LEU | 0 | 0.010 | 0.011 | 23.188 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 308 | LYS | 1 | 0.919 | 0.947 | 25.512 | 10.457 | 10.457 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 309 | ASP | -1 | -0.917 | -0.927 | 23.677 | -12.629 | -12.629 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 310 | PHE | 0 | 0.082 | 0.041 | 21.779 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 311 | SER | 0 | -0.009 | -0.012 | 24.808 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 312 | SER | 0 | -0.062 | -0.050 | 27.947 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 313 | SER | 0 | 0.017 | 0.008 | 24.306 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 314 | LYS | 1 | 0.774 | 0.890 | 24.091 | 12.741 | 12.741 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 315 | ARG | 1 | 0.886 | 0.957 | 28.094 | 11.079 | 11.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 316 | MET | 0 | -0.002 | 0.021 | 31.737 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 317 | ASN | 0 | 0.039 | 0.002 | 33.296 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 318 | THR | 0 | -0.075 | -0.038 | 34.159 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 319 | GLY | 0 | 0.052 | 0.017 | 36.680 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 320 | GLU | -1 | -0.828 | -0.890 | 38.525 | -7.969 | -7.969 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 321 | LYS | 1 | 0.845 | 0.910 | 38.451 | 7.856 | 7.856 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 322 | THR | 0 | 0.044 | 0.018 | 37.740 | -0.313 | -0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 323 | THR | 0 | 0.012 | -0.005 | 33.595 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 324 | MET | 0 | -0.015 | 0.006 | 34.513 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 325 | ARG | 1 | 0.943 | 0.951 | 30.678 | 9.020 | 9.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 326 | ASP | -1 | -0.783 | -0.866 | 30.921 | -9.551 | -9.551 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 327 | LEU | 0 | -0.019 | -0.017 | 32.243 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 328 | SER | 0 | -0.009 | 0.001 | 29.995 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 329 | GLN | 0 | 0.007 | -0.020 | 31.418 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 330 | MET | 0 | -0.001 | -0.005 | 30.371 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 331 | LEU | 0 | 0.020 | 0.014 | 28.491 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 332 | LYS | 1 | 0.847 | 0.924 | 31.473 | 8.781 | 8.781 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 333 | LYS | 1 | 0.748 | 0.890 | 34.195 | 9.060 | 9.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 334 | MET | 0 | -0.020 | -0.005 | 30.612 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 335 | PRO | 0 | 0.038 | 0.025 | 30.053 | -0.388 | -0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 336 | GLN | 0 | 0.025 | 0.000 | 28.112 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 337 | TYR | -1 | -0.831 | -0.912 | 24.882 | -12.187 | -12.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 338 | GLN | 0 | -0.012 | -0.010 | 25.104 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 339 | LYS | 1 | 0.968 | 0.978 | 17.816 | 16.513 | 16.513 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 340 | GLU | -1 | -0.737 | -0.877 | 20.329 | -14.278 | -14.278 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 341 | LEU | 0 | -0.004 | -0.005 | 21.870 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 342 | SER | 0 | -0.027 | -0.009 | 23.952 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 343 | LYS | 1 | 0.876 | 0.967 | 16.550 | 18.098 | 18.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 344 | TYR | 0 | 0.029 | -0.007 | 21.430 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 345 | SER | 0 | -0.010 | -0.011 | 23.734 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 346 | THR | 0 | 0.034 | 0.027 | 22.219 | 0.469 | 0.469 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 347 | HIS | 0 | 0.004 | -0.023 | 18.850 | 0.726 | 0.726 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 348 | LEU | 0 | -0.052 | -0.024 | 23.462 | 0.282 | 0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 349 | HIS | 1 | 0.857 | 0.923 | 26.966 | 10.715 | 10.715 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 350 | LEU | 0 | 0.066 | 0.045 | 22.229 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 351 | ALA | 0 | 0.008 | 0.004 | 25.388 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 352 | GLU | -1 | -0.916 | -0.951 | 26.958 | -9.112 | -9.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 353 | ASP | -1 | -0.792 | -0.900 | 29.382 | -9.728 | -9.728 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 354 | CYS | 0 | -0.007 | 0.011 | 26.630 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 355 | MET | 0 | -0.012 | -0.010 | 29.343 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 356 | LYS | 1 | 0.784 | 0.885 | 32.094 | 9.607 | 9.607 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 357 | HIS | 0 | -0.018 | -0.006 | 32.197 | 0.401 | 0.401 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 358 | TYR | 0 | -0.053 | -0.028 | 32.111 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 359 | GLN | 0 | -0.005 | -0.014 | 34.079 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 360 | GLY | 0 | 0.020 | 0.017 | 37.457 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 361 | THR | 0 | -0.002 | -0.012 | 39.223 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 362 | VAL | 0 | 0.055 | 0.027 | 32.850 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 363 | ASP | -1 | -0.855 | -0.897 | 35.981 | -8.451 | -8.451 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 364 | LYS | 1 | 0.869 | 0.919 | 37.160 | 7.208 | 7.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 365 | LEU | 0 | 0.003 | 0.001 | 36.786 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 366 | CYS | 0 | 0.007 | 0.000 | 33.288 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 367 | ARG | 1 | 0.886 | 0.946 | 35.193 | 7.676 | 7.676 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 368 | VAL | 0 | 0.012 | 0.010 | 37.852 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 369 | GLU | -1 | -0.812 | -0.898 | 33.567 | -9.404 | -9.404 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 370 | GLN | 0 | 0.038 | 0.022 | 30.698 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 371 | ASP | -1 | -0.835 | -0.899 | 35.038 | -8.032 | -8.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 372 | LEU | 0 | -0.095 | -0.055 | 37.845 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 373 | ALA | 0 | -0.012 | -0.006 | 32.904 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 374 | MET | 0 | 0.014 | 0.025 | 32.498 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 375 | GLY | 0 | -0.025 | -0.004 | 35.899 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 376 | THR | 0 | -0.075 | -0.051 | 38.073 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 377 | ASP | -1 | -0.764 | -0.883 | 38.691 | -7.665 | -7.665 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 378 | ALA | 0 | -0.051 | -0.036 | 37.670 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 379 | GLU | -1 | -0.918 | -0.960 | 37.905 | -7.940 | -7.940 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 380 | GLY | 0 | -0.013 | 0.009 | 38.921 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 381 | GLU | -1 | -0.946 | -0.962 | 39.650 | -6.752 | -6.752 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 382 | LYS | 1 | 0.925 | 0.958 | 42.667 | 7.378 | 7.378 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 383 | ILE | 0 | -0.022 | -0.008 | 41.288 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 384 | LYS | 1 | 0.834 | 0.921 | 44.590 | 7.111 | 7.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 385 | ASP | -1 | -0.888 | -0.967 | 48.152 | -6.402 | -6.402 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 386 | PRO | 0 | 0.042 | 0.011 | 43.929 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 387 | MET | 0 | 0.008 | 0.022 | 45.990 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 388 | ARG | 1 | 0.921 | 0.956 | 48.467 | 6.053 | 6.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 389 | ALA | 0 | 0.007 | 0.010 | 44.343 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 390 | ILE | 0 | 0.016 | 0.016 | 43.296 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 391 | VAL | 0 | 0.024 | 0.012 | 45.578 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 392 | PRO | 0 | -0.021 | -0.021 | 47.814 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 393 | ILE | 0 | -0.004 | 0.007 | 41.661 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 394 | LEU | 0 | -0.023 | -0.015 | 43.993 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 395 | LEU | 0 | 0.012 | 0.005 | 46.735 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 396 | ASP | -1 | -0.857 | -0.909 | 45.906 | -6.867 | -6.867 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 397 | ALA | 0 | 0.021 | 0.005 | 46.881 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 398 | ASN | 0 | -0.047 | -0.020 | 44.770 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 399 | VAL | 0 | -0.038 | -0.007 | 40.862 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 400 | SER | 0 | 0.007 | -0.020 | 38.333 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 401 | THR | 0 | 0.036 | 0.001 | 41.205 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 402 | TYR | 0 | -0.008 | -0.035 | 35.358 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 403 | ASP | -1 | -0.813 | -0.886 | 36.053 | -8.929 | -8.929 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 404 | LYS | 1 | 0.804 | 0.900 | 38.245 | 6.973 | 6.973 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 405 | ILE | 0 | 0.015 | 0.014 | 38.020 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 406 | ARG | 1 | 0.778 | 0.858 | 30.779 | 9.904 | 9.904 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 407 | ILE | 0 | -0.002 | 0.001 | 36.878 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 408 | ILE | 0 | -0.014 | -0.010 | 39.429 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 409 | LEU | 0 | 0.007 | 0.006 | 36.198 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 410 | LEU | 0 | 0.048 | 0.027 | 33.570 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 411 | TYR | 0 | 0.009 | -0.001 | 37.638 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 412 | ILE | 0 | -0.002 | 0.006 | 40.933 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 413 | PHE | 0 | 0.037 | 0.007 | 34.691 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 414 | LEU | 0 | -0.049 | 0.011 | 38.660 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 415 | LYS | 1 | 0.918 | 0.947 | 40.141 | 6.987 | 6.987 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 416 | ASN | 0 | -0.033 | -0.006 | 40.012 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 417 | GLY | 0 | 0.046 | 0.039 | 41.885 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 418 | ILE | 0 | -0.064 | -0.037 | 44.017 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 419 | THR | 0 | 0.035 | 0.014 | 47.332 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 420 | GLU | -1 | -0.830 | -0.925 | 50.207 | -6.515 | -6.515 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 421 | GLU | -1 | -0.983 | -0.974 | 51.540 | -5.753 | -5.753 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 422 | ASN | 0 | -0.022 | -0.027 | 49.889 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 423 | LEU | 0 | 0.026 | 0.015 | 45.737 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 424 | ASN | 0 | 0.032 | 0.012 | 48.797 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 425 | LYS | 1 | 0.917 | 0.967 | 51.573 | 5.828 | 5.828 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 426 | LEU | 0 | -0.014 | -0.010 | 45.536 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 427 | ILE | 0 | 0.047 | 0.021 | 46.854 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 428 | GLN | 0 | -0.024 | -0.012 | 48.880 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 429 | HIS | 0 | -0.054 | -0.038 | 50.242 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 430 | ALA | 0 | -0.009 | -0.001 | 46.044 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 431 | GLN | 0 | -0.079 | -0.039 | 47.891 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 432 | ILE | 0 | 0.001 | 0.018 | 44.195 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 433 | PRO | 0 | 0.025 | 0.009 | 45.424 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 434 | PRO | 0 | 0.031 | 0.009 | 46.592 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 435 | GLU | -1 | -0.792 | -0.889 | 43.740 | -7.548 | -7.548 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 436 | ASP | -1 | -0.781 | -0.891 | 41.852 | -7.833 | -7.833 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 437 | SER | 0 | -0.051 | -0.043 | 42.279 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 438 | GLU | -1 | -0.829 | -0.916 | 43.609 | -7.130 | -7.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 439 | ILE | 0 | -0.058 | -0.014 | 37.464 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 440 | ILE | 0 | -0.048 | -0.028 | 39.487 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 441 | THR | 0 | 0.032 | 0.010 | 41.412 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 442 | ASN | 0 | -0.005 | -0.017 | 39.154 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 443 | MET | 0 | 0.022 | 0.012 | 33.767 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 444 | ALA | 0 | -0.001 | -0.006 | 37.564 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 445 | HIS | 0 | -0.045 | -0.011 | 37.621 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 446 | LEU | 0 | -0.079 | -0.035 | 31.796 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 447 | GLY | 0 | 0.007 | 0.007 | 34.339 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 448 | VAL | 0 | -0.033 | -0.003 | 35.034 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 449 | PRO | 0 | -0.036 | -0.021 | 37.632 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 450 | ILE | 0 | 0.018 | 0.011 | 39.159 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 451 | VAL | 0 | 0.052 | 0.023 | 42.868 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 452 | THR | 0 | -0.071 | -0.055 | 45.467 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 453 | ASP | -1 | -0.817 | -0.903 | 48.251 | -6.217 | -6.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 454 | SER | 0 | -0.063 | -0.031 | 50.539 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 455 | THR | 0 | 0.030 | -0.007 | 50.459 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 456 | LEU | 0 | 0.002 | 0.000 | 50.146 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 457 | ARG | 1 | 0.958 | 0.980 | 45.622 | 6.772 | 6.772 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 458 | ARG | 1 | 0.815 | 0.919 | 45.391 | 6.846 | 6.846 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 459 | ARG | 1 | 0.848 | 0.899 | 37.902 | 8.300 | 8.300 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 460 | SER | 0 | 0.005 | 0.004 | 42.014 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 461 | LYS | 1 | 0.889 | 0.934 | 36.270 | 8.554 | 8.554 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 462 | PRO | 0 | -0.024 | -0.018 | 34.209 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 463 | GLU | -1 | -0.957 | -0.966 | 35.517 | -8.612 | -8.612 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 464 | ARG | 1 | 0.714 | 0.829 | 27.768 | 10.649 | 10.649 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 465 | LYS | 1 | 0.795 | 0.886 | 25.002 | 12.555 | 12.555 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 466 | GLU | -1 | -0.903 | -0.943 | 30.593 | -9.268 | -9.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 467 | ARG | 1 | 0.928 | 0.966 | 28.359 | 10.193 | 10.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 468 | ILE | 0 | -0.003 | -0.001 | 26.588 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 469 | SER | 0 | -0.036 | -0.033 | 28.648 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 470 | GLU | -1 | -0.878 | -0.929 | 25.758 | -12.011 | -12.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 471 | GLN | 0 | -0.029 | -0.005 | 28.435 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 472 | THR | 0 | -0.030 | -0.023 | 28.244 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 473 | TYR | 0 | -0.034 | -0.040 | 26.240 | 0.599 | 0.599 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 474 | GLN | 0 | 0.034 | 0.011 | 30.579 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 475 | LEU | 0 | 0.000 | 0.000 | 32.542 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 476 | SER | 0 | -0.060 | -0.042 | 27.596 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 477 | ARG | 1 | 0.854 | 0.913 | 28.792 | 8.485 | 8.485 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 478 | TRP | 0 | -0.036 | -0.028 | 27.684 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 479 | THR | 0 | 0.036 | 0.020 | 24.801 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 480 | PRO | 0 | -0.006 | 0.000 | 23.373 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 481 | ILE | 0 | 0.028 | 0.011 | 25.496 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 482 | ILE | 0 | -0.008 | -0.007 | 20.975 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 483 | LYS | 1 | 0.879 | 0.937 | 20.919 | 13.731 | 13.731 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 484 | ASP | -1 | -0.728 | -0.837 | 22.884 | -11.655 | -11.655 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 485 | ILE | 0 | 0.016 | 0.010 | 23.353 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 486 | MET | 0 | -0.049 | -0.023 | 18.679 | -0.581 | -0.581 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 487 | GLU | -1 | -0.856 | -0.926 | 20.257 | -14.092 | -14.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 488 | ASP | -1 | -0.816 | -0.915 | 22.101 | -11.579 | -11.579 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 489 | THR | 0 | -0.083 | -0.045 | 20.105 | 0.378 | 0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 490 | ILE | 0 | -0.046 | -0.015 | 16.866 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 491 | GLU | -1 | -0.889 | -0.933 | 20.656 | -12.271 | -12.271 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 492 | ASP | -1 | -0.989 | -0.983 | 23.834 | -11.074 | -11.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 493 | LYS | 1 | 0.862 | 0.918 | 25.656 | 11.663 | 11.663 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 494 | LEU | 0 | -0.020 | 0.011 | 24.610 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 495 | ASP | -1 | -0.771 | -0.869 | 27.710 | -9.572 | -9.572 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 496 | THR | 0 | 0.012 | -0.011 | 29.073 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 497 | LYS | 1 | 0.810 | 0.917 | 31.214 | 8.913 | 8.913 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 498 | HIS | 0 | -0.038 | -0.036 | 31.944 | 0.428 | 0.428 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 499 | TYR | 0 | 0.027 | 0.011 | 27.039 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 500 | PRO | 0 | 0.005 | 0.018 | 28.316 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 501 | TYR | 0 | 0.060 | 0.021 | 24.083 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 502 | ILE | 0 | 0.006 | -0.005 | 26.058 | 0.251 | 0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 503 | SER | 0 | -0.015 | 0.005 | 28.006 | 0.433 | 0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 504 | THR | 0 | -0.034 | -0.031 | 28.759 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 505 | ARG | 0 | 0.032 | 0.037 | 27.504 | -0.969 | -0.969 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 533 | SER | 0 | -0.091 | -0.068 | 5.698 | -0.285 | -0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 534 | GLY | 0 | 0.099 | 0.049 | 7.635 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 535 | PRO | 0 | -0.070 | -0.008 | 10.790 | -0.415 | -0.415 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 536 | ARG | 1 | 0.843 | 0.881 | 5.420 | 33.149 | 33.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 537 | LEU | 0 | -0.004 | 0.013 | 12.545 | 1.600 | 1.600 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 538 | ILE | 0 | 0.003 | 0.001 | 12.433 | -1.256 | -1.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 539 | ILE | 0 | 0.036 | 0.010 | 15.334 | 1.296 | 1.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 540 | PHE | 0 | 0.007 | 0.012 | 17.392 | -0.717 | -0.717 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 541 | ILE | 0 | 0.011 | 0.014 | 19.921 | 0.655 | 0.655 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 542 | LEU | 0 | 0.028 | 0.030 | 23.084 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 543 | GLY | 0 | 0.033 | 0.006 | 25.652 | 0.456 | 0.456 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 544 | GLY | 0 | 0.001 | 0.006 | 23.879 | 0.338 | 0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 545 | VAL | 0 | 0.034 | 0.018 | 19.156 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 546 | SER | 0 | 0.015 | -0.004 | 22.329 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 547 | LEU | 0 | 0.038 | 0.001 | 19.145 | -0.464 | -0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 548 | ASN | 0 | -0.035 | -0.019 | 19.422 | -0.975 | -0.975 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 549 | GLU | -1 | -0.711 | -0.820 | 20.727 | -13.630 | -13.630 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 550 | MET | 0 | -0.032 | -0.005 | 15.487 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 551 | ARG | 1 | 0.838 | 0.900 | 15.733 | 13.227 | 13.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 552 | CYS | 0 | -0.004 | -0.002 | 16.603 | -0.388 | -0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 553 | ALA | 0 | 0.045 | 0.027 | 14.486 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 554 | TYR | 0 | -0.031 | -0.035 | 9.173 | -1.827 | -1.827 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 555 | GLU | -1 | -0.836 | -0.907 | 13.384 | -15.594 | -15.594 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 556 | VAL | 0 | 0.014 | 0.010 | 16.568 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 557 | THR | 0 | -0.036 | -0.021 | 9.945 | -0.430 | -0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 558 | GLN | 0 | -0.059 | -0.039 | 9.827 | 0.601 | 0.601 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 559 | ALA | 0 | -0.012 | 0.005 | 13.904 | 0.478 | 0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 560 | ASN | 0 | 0.013 | 0.012 | 15.363 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 561 | GLY | 0 | 0.020 | 0.009 | 13.238 | 0.691 | 0.691 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 562 | LYS | 1 | 0.872 | 0.932 | 12.647 | 15.319 | 15.319 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 563 | TRP | 0 | -0.007 | 0.001 | 12.229 | -0.806 | -0.806 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 564 | GLU | -1 | -0.819 | -0.859 | 6.402 | -42.824 | -42.824 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 565 | VAL | 0 | -0.013 | -0.005 | 10.888 | 1.333 | 1.333 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 566 | LEU | 0 | -0.032 | 0.001 | 8.502 | -1.760 | -1.760 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 567 | ILE | 0 | 0.023 | 0.010 | 12.599 | 1.783 | 1.783 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 568 | GLY | 0 | 0.081 | 0.022 | 14.916 | -1.143 | -1.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 569 | SER | 0 | -0.068 | -0.037 | 17.022 | 1.073 | 1.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 570 | THR | 0 | 0.037 | -0.006 | 19.561 | -0.527 | -0.527 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 571 | HIS | 0 | -0.017 | 0.010 | 21.454 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 572 | ILE | 0 | 0.081 | 0.045 | 17.550 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 573 | LEU | 0 | -0.089 | -0.040 | 21.660 | 0.571 | 0.571 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 574 | THR | 0 | 0.043 | 0.016 | 23.940 | -0.405 | -0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 575 | PRO | 0 | 0.052 | 0.021 | 26.506 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 576 | GLN | 0 | -0.020 | -0.007 | 29.875 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 577 | LYS | 1 | 0.921 | 0.965 | 24.521 | 12.887 | 12.887 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 578 | LEU | 0 | 0.005 | 0.026 | 29.668 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 579 | LEU | 0 | -0.003 | 0.006 | 31.246 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 580 | ASP | -1 | -0.767 | -0.872 | 32.917 | -9.153 | -9.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 581 | THR | 0 | -0.111 | -0.069 | 30.615 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 582 | LEU | 0 | 0.016 | -0.001 | 33.926 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 583 | LYS | 1 | 0.807 | 0.904 | 36.270 | 8.071 | 8.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 584 | LYS | 1 | 0.945 | 0.972 | 33.505 | 9.420 | 9.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 585 | LEU | 0 | -0.015 | 0.023 | 34.614 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 586 | ASN | 0 | -0.019 | -0.001 | 38.505 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 587 | LYS | 1 | 0.883 | 0.938 | 40.866 | 7.775 | 7.775 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 588 | THR | 0 | 0.007 | -0.017 | 42.601 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 589 | ASP | -1 | -0.963 | -0.957 | 38.754 | -8.080 | -8.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 590 | GLU | -1 | -0.968 | -0.996 | 40.781 | -6.900 | -6.900 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 591 | GLU | -1 | -1.042 | -1.020 | 42.763 | -7.100 | -7.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 592 | ILE | -1 | -0.958 | -0.962 | 37.914 | -8.123 | -8.123 | 0.000 | 0.000 | 0.000 | 0.000 |