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: ZNM7N
Calculation Name: 2QDJ-A-Xray540
Preferred Name: Retinoblastoma-associated protein
Target Type: SINGLE PROTEIN
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 2QDJ
Chain ID: A
ChEMBL ID: CHEMBL5288
UniProt ID: P06400
Base Structure: X-ray
Registration Date: 2025-07-11
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptAll |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Structure Preparation |
| Water | No |
| Procedure | Auto-FMO protocol ver. 2.20220422 |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 514 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -3647327.768328 |
|---|---|
| FMO2-HF: Nuclear repulsion | 3539212.313365 |
| FMO2-HF: Total energy | -108115.454962 |
| FMO2-MP2: Total energy | -108427.700373 |
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:52:THR)
Summations of interaction energy for
fragment #1(A:52:THR)
| 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. |
| -3.176 | -1.515 | 0.002 | -0.732 | -0.929 | 0.002 |
Interaction energy analysis for fragmet #1(A:52:THR)
| 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]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 4 | A | 53 | GLU | -1 | -0.837 | -0.755 | 3.743 | -0.920 | -0.456 | 0.002 | -0.125 | -0.340 | 0.000 |
| 5 | A | 54 | GLU | 0 | 0.046 | -0.103 | 3.863 | 0.141 | 1.234 | 0.002 | -0.588 | -0.507 | 0.002 |
| 6 | A | 54 | GLU | -1 | -0.863 | -0.764 | 6.449 | -1.305 | -1.305 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 55 | PRO | 0 | 0.020 | -0.109 | 6.449 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 56 | ASP | 0 | 0.083 | 0.000 | 8.433 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 56 | ASP | -1 | -0.976 | -0.853 | 11.655 | -0.411 | -0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 57 | PHE | 0 | 0.125 | -0.091 | 9.349 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 57 | PHE | 0 | -0.110 | 0.103 | 7.685 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 58 | THR | 0 | 0.051 | -0.083 | 8.246 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 58 | THR | 0 | -0.060 | 0.049 | 6.698 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 59 | ALA | 0 | 0.110 | -0.070 | 9.263 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 59 | ALA | 0 | -0.089 | 0.093 | 12.336 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 60 | LEU | 0 | 0.010 | -0.109 | 12.613 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 60 | LEU | 0 | -0.084 | 0.100 | 13.264 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 61 | CYS | 0 | 0.129 | -0.128 | 12.073 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 61 | CYS | 0 | -0.130 | 0.100 | 11.159 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 62 | GLN | 0 | 0.090 | -0.085 | 13.196 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 62 | GLN | 0 | -0.093 | 0.084 | 11.287 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 63 | LYS | 0 | 0.032 | -0.098 | 14.868 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 63 | LYS | 1 | 0.835 | 1.041 | 16.089 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 64 | LEU | 0 | 0.035 | -0.087 | 17.054 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 64 | LEU | 0 | -0.075 | 0.100 | 16.603 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 65 | LYS | 0 | 0.054 | -0.087 | 17.673 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 65 | LYS | 1 | 0.744 | 0.983 | 19.616 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 66 | ILE | 0 | 0.109 | -0.105 | 14.569 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 66 | ILE | 0 | -0.157 | 0.104 | 13.304 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 67 | PRO | 0 | 0.055 | -0.070 | 14.288 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 68 | ASP | 0 | 0.111 | 0.000 | 11.442 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 68 | ASP | -1 | -0.883 | -0.795 | 11.098 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 69 | HIS | 0 | 0.119 | -0.066 | 11.052 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 69 | HIS | 0 | -0.075 | 0.081 | 14.604 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 70 | VAL | 0 | 0.076 | -0.120 | 12.960 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 70 | VAL | 0 | -0.072 | 0.121 | 14.886 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 71 | ARG | 0 | 0.138 | -0.082 | 10.280 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 71 | ARG | 1 | 0.610 | 0.912 | 6.425 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 72 | GLU | 0 | 0.109 | -0.107 | 7.922 | -0.300 | -0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 72 | GLU | -1 | -0.924 | -0.784 | 6.887 | 0.281 | 0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 73 | ARG | 0 | 0.020 | -0.143 | 8.896 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 73 | ARG | 1 | 0.857 | 1.080 | 12.923 | 0.597 | 0.597 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 74 | ALA | 0 | 0.165 | -0.060 | 11.758 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 74 | ALA | 0 | -0.060 | 0.113 | 11.556 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 75 | TRP | 0 | 0.034 | -0.127 | 7.259 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 75 | TRP | 0 | -0.087 | 0.087 | 4.683 | 0.352 | 0.443 | -0.001 | -0.019 | -0.070 | 0.000 |
| 47 | A | 76 | LEU | 0 | 0.072 | -0.093 | 8.719 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 76 | LEU | 0 | -0.099 | 0.081 | 8.525 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 77 | THR | 0 | -0.015 | -0.099 | 10.078 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 77 | THR | 0 | -0.069 | 0.040 | 13.704 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 78 | TRP | 0 | 0.124 | -0.062 | 11.092 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 78 | TRP | 0 | -0.093 | 0.078 | 8.448 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 79 | GLU | 0 | 0.100 | -0.119 | 9.012 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 79 | GLU | -1 | -0.940 | -0.817 | 5.442 | -4.033 | -4.020 | -0.001 | 0.000 | -0.012 | 0.000 |
| 55 | A | 80 | LYS | 0 | 0.074 | -0.084 | 10.055 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 80 | LYS | 1 | 0.720 | 0.980 | 13.801 | 0.531 | 0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 81 | VAL | 0 | 0.036 | -0.114 | 13.595 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 81 | VAL | 0 | -0.066 | 0.091 | 14.730 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 82 | SER | 0 | 0.029 | -0.106 | 12.172 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 82 | SER | 0 | -0.049 | 0.075 | 11.466 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 83 | SER | 0 | -0.214 | -0.201 | 13.548 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 83 | SER | 0 | 0.058 | 0.071 | 13.440 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 94 | LYS | 0 | 0.201 | 0.053 | 19.015 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 94 | LYS | 1 | 0.686 | 0.955 | 19.206 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 95 | LYS | 0 | 0.123 | -0.080 | 14.602 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 95 | LYS | 1 | 0.729 | 0.991 | 10.535 | 1.085 | 1.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 96 | LYS | 0 | 0.116 | -0.085 | 15.000 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 96 | LYS | 1 | 0.698 | 0.986 | 16.610 | 0.291 | 0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 97 | GLU | 0 | 0.072 | -0.108 | 16.450 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 97 | GLU | -1 | -0.815 | -0.762 | 19.974 | -0.369 | -0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 98 | LEU | 0 | 0.086 | -0.084 | 16.741 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 98 | LEU | 0 | -0.061 | 0.112 | 16.035 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 99 | TRP | 0 | 0.069 | -0.101 | 13.645 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 99 | TRP | 0 | -0.073 | 0.096 | 9.504 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 100 | GLY | 0 | 0.058 | -0.082 | 14.402 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 101 | ILE | 0 | 0.102 | 0.004 | 17.479 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 101 | ILE | 0 | -0.086 | 0.128 | 18.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 102 | CYS | 0 | 0.154 | -0.108 | 14.555 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 102 | CYS | 0 | -0.160 | 0.093 | 13.860 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 103 | ILE | 0 | 0.058 | -0.088 | 15.009 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 103 | ILE | 0 | -0.098 | 0.090 | 13.308 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 104 | PHE | 0 | 0.090 | -0.070 | 15.735 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 104 | PHE | 0 | -0.100 | 0.064 | 20.237 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 105 | ILE | 0 | 0.048 | -0.093 | 18.620 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 105 | ILE | 0 | -0.072 | 0.091 | 17.612 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 106 | ALA | 0 | 0.118 | -0.088 | 15.287 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 106 | ALA | 0 | -0.088 | 0.099 | 14.745 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 107 | ALA | 0 | 0.098 | -0.107 | 16.759 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 107 | ALA | 0 | -0.082 | 0.089 | 18.160 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 108 | VAL | 0 | -0.007 | -0.115 | 18.967 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 108 | VAL | 0 | -0.097 | 0.097 | 22.217 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 109 | ASP | 0 | 0.126 | -0.093 | 20.602 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 109 | ASP | -1 | -0.890 | -0.774 | 19.635 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 110 | LEU | 0 | -0.025 | -0.126 | 18.880 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 110 | LEU | 0 | -0.060 | 0.088 | 15.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 111 | ASP | 0 | 0.101 | -0.055 | 20.315 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 111 | ASP | -1 | -0.949 | -0.841 | 23.979 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 112 | GLU | 0 | 0.094 | -0.090 | 20.029 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 112 | GLU | -1 | -1.052 | -0.873 | 19.321 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 113 | MET | 0 | 0.115 | -0.120 | 19.770 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 113 | MET | 0 | -0.134 | 0.098 | 22.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 114 | SER | 0 | 0.007 | -0.111 | 20.041 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 114 | SER | 0 | -0.033 | 0.083 | 18.914 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 115 | PHE | 0 | 0.039 | -0.087 | 21.346 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 115 | PHE | 0 | -0.091 | 0.074 | 18.575 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 116 | THR | 0 | 0.014 | -0.075 | 22.696 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 116 | THR | 0 | 0.001 | 0.106 | 26.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 117 | PHE | 0 | 0.155 | -0.057 | 24.500 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 117 | PHE | 0 | -0.071 | 0.101 | 24.477 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 118 | THR | 0 | 0.017 | -0.068 | 25.564 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 118 | THR | 0 | 0.006 | 0.063 | 28.877 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 119 | GLU | 0 | 0.115 | -0.085 | 24.823 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 119 | GLU | -1 | -0.924 | -0.803 | 22.851 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 120 | LEU | 0 | 0.114 | -0.104 | 21.327 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 120 | LEU | 0 | -0.128 | 0.112 | 19.083 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 121 | GLN | 0 | 0.073 | -0.139 | 21.929 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 121 | GLN | 0 | -0.108 | 0.068 | 25.800 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 122 | LYS | 0 | 0.058 | -0.082 | 24.313 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 122 | LYS | 1 | 0.755 | 1.004 | 25.652 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 123 | ASN | 0 | 0.047 | -0.068 | 20.354 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 123 | ASN | 0 | -0.130 | 0.024 | 19.338 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 124 | ILE | 0 | -0.048 | -0.120 | 19.938 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 124 | ILE | 0 | -0.085 | 0.081 | 18.564 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 125 | GLU | 0 | 0.091 | -0.070 | 21.136 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 125 | GLU | -1 | -0.930 | -0.823 | 22.566 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 126 | ILE | 0 | 0.113 | -0.107 | 24.776 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 126 | ILE | 0 | -0.102 | 0.117 | 23.267 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 127 | SER | 0 | 0.067 | -0.054 | 25.951 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 127 | SER | 0 | -0.002 | 0.076 | 30.103 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 128 | VAL | 0 | 0.097 | -0.100 | 27.895 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 128 | VAL | 0 | -0.037 | 0.119 | 29.568 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 129 | HIS | 0 | 0.092 | -0.077 | 28.940 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 129 | HIS | 0 | -0.112 | 0.056 | 32.042 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 130 | LYS | 0 | 0.112 | -0.055 | 27.670 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 130 | LYS | 1 | 0.705 | 0.943 | 26.770 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 131 | PHE | 0 | 0.142 | -0.077 | 24.462 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 131 | PHE | 0 | -0.117 | 0.071 | 21.411 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 132 | PHE | 0 | 0.055 | -0.093 | 25.048 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 132 | PHE | 0 | -0.061 | 0.084 | 28.932 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 133 | ASN | 0 | 0.047 | -0.060 | 27.158 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 133 | ASN | 0 | -0.077 | 0.046 | 28.870 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 134 | LEU | 0 | 0.100 | -0.087 | 23.390 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 134 | LEU | 0 | -0.096 | 0.060 | 21.721 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 135 | LEU | 0 | 0.143 | -0.063 | 22.719 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 135 | LEU | 0 | -0.150 | 0.064 | 21.879 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 136 | LYS | 0 | 0.033 | -0.091 | 23.773 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 136 | LYS | 1 | 0.720 | 0.989 | 27.888 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 137 | GLU | 0 | 0.020 | -0.103 | 24.976 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 137 | GLU | -1 | -0.980 | -0.864 | 24.133 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 138 | ILE | 0 | 0.044 | -0.115 | 21.167 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 138 | ILE | 0 | -0.113 | 0.069 | 18.963 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 139 | ASP | 0 | 0.082 | -0.083 | 22.111 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 139 | ASP | -1 | -0.913 | -0.813 | 21.761 | -0.377 | -0.377 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 140 | THR | 0 | -0.009 | -0.088 | 21.094 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 140 | THR | 0 | -0.052 | 0.045 | 21.214 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 141 | SER | 0 | 0.047 | -0.068 | 23.019 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 141 | SER | 0 | -0.067 | 0.020 | 23.034 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 142 | THR | 0 | 0.130 | -0.040 | 24.755 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 142 | THR | 0 | -0.040 | 0.058 | 29.358 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 143 | LYS | 0 | 0.074 | -0.098 | 26.274 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 143 | LYS | 1 | 0.684 | 0.985 | 23.694 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 144 | VAL | 0 | 0.041 | -0.125 | 23.854 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 144 | VAL | 0 | -0.033 | 0.123 | 21.847 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 145 | ASP | 0 | 0.080 | -0.108 | 25.120 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 145 | ASP | -1 | -0.894 | -0.784 | 26.724 | -0.229 | -0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 146 | ASN | 0 | 0.111 | -0.048 | 28.065 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 146 | ASN | 0 | -0.137 | 0.037 | 30.318 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 147 | ALA | 0 | 0.090 | -0.121 | 27.186 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 147 | ALA | 0 | -0.061 | 0.133 | 26.438 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 148 | MET | 0 | 0.093 | -0.119 | 27.409 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 148 | MET | 0 | -0.059 | 0.140 | 26.374 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 149 | SER | 0 | 0.004 | -0.108 | 28.306 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 149 | SER | 0 | -0.053 | 0.064 | 31.010 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 150 | ARG | 0 | 0.098 | -0.077 | 31.827 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 150 | ARG | 1 | 0.758 | 1.034 | 27.763 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 151 | LEU | 0 | 0.049 | -0.128 | 29.879 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 151 | LEU | 0 | -0.086 | 0.102 | 27.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 152 | LEU | 0 | 0.155 | -0.074 | 31.386 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 152 | LEU | 0 | -0.141 | 0.099 | 31.639 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 153 | LYS | 0 | 0.112 | -0.075 | 32.947 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 153 | LYS | 1 | 0.765 | 0.989 | 36.184 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 154 | LYS | 0 | 0.117 | -0.092 | 34.942 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 154 | LYS | 1 | 0.663 | 0.966 | 32.583 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 155 | TYR | 0 | 0.058 | -0.087 | 34.085 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 155 | TYR | 0 | -0.079 | 0.078 | 33.218 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 156 | ASP | 0 | 0.086 | -0.101 | 35.316 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 156 | ASP | -1 | -0.897 | -0.803 | 36.124 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 157 | VAL | 0 | 0.084 | -0.087 | 38.095 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 157 | VAL | 0 | -0.087 | 0.098 | 39.837 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 158 | LEU | 0 | 0.062 | -0.126 | 38.821 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 158 | LEU | 0 | -0.069 | 0.115 | 36.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 159 | PHE | 0 | 0.161 | -0.069 | 39.035 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 159 | PHE | 0 | -0.100 | 0.098 | 37.402 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 160 | ALA | 0 | 0.086 | -0.086 | 40.143 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 160 | ALA | 0 | -0.082 | 0.101 | 43.039 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 161 | LEU | 0 | 0.054 | -0.103 | 43.241 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 161 | LEU | 0 | -0.118 | 0.085 | 42.731 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 162 | PHE | 0 | 0.124 | -0.103 | 42.581 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 162 | PHE | 0 | -0.069 | 0.119 | 42.015 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 163 | SER | 0 | 0.018 | -0.111 | 43.852 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 163 | SER | 0 | -0.069 | 0.060 | 43.095 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 164 | LYS | 0 | 0.065 | -0.085 | 45.408 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 164 | LYS | 1 | 0.817 | 1.040 | 47.853 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 165 | LEU | 0 | 0.159 | -0.071 | 47.397 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 165 | LEU | 0 | -0.100 | 0.108 | 46.205 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 166 | GLU | 0 | 0.060 | -0.119 | 47.288 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 166 | GLU | -1 | -0.856 | -0.798 | 44.909 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 167 | ARG | 0 | 0.052 | -0.051 | 48.519 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 167 | ARG | 1 | 0.735 | 0.979 | 45.138 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 168 | THR | 0 | 0.024 | -0.085 | 51.126 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 168 | THR | 0 | -0.041 | 0.043 | 51.790 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 169 | CYS | 0 | 0.107 | -0.103 | 51.822 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 169 | CYS | 0 | -0.164 | 0.081 | 50.832 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 170 | GLU | 0 | 0.125 | -0.068 | 52.629 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 170 | GLU | -1 | -0.923 | -0.815 | 52.457 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 171 | LEU | 0 | 0.036 | -0.118 | 54.261 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 171 | LEU | 0 | -0.084 | 0.107 | 55.799 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 172 | ILE | 0 | 0.092 | -0.081 | 56.508 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 172 | ILE | 0 | -0.080 | 0.087 | 55.075 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 173 | TYR | 0 | 0.056 | -0.109 | 56.494 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 173 | TYR | 0 | -0.100 | 0.071 | 54.579 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 174 | LEU | 0 | 0.058 | -0.094 | 57.792 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 174 | LEU | 0 | -0.105 | 0.086 | 60.433 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 175 | THR | 0 | 0.019 | -0.078 | 55.838 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 175 | THR | 0 | -0.075 | 0.036 | 53.987 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 176 | GLN | 0 | 0.000 | -0.140 | 56.775 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 176 | GLN | 0 | -0.041 | 0.104 | 59.193 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 177 | PRO | 0 | 0.037 | -0.062 | 55.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 178 | SER | 0 | 0.073 | 0.014 | 54.957 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 178 | SER | 0 | -0.041 | 0.074 | 54.684 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 179 | SER | 0 | -0.041 | -0.092 | 56.504 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 179 | SER | 0 | -0.031 | 0.077 | 60.394 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 180 | SER | 0 | 0.057 | -0.054 | 59.571 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 180 | SER | 0 | -0.041 | 0.050 | 61.855 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 181 | ILE | 0 | 0.052 | -0.087 | 61.716 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 181 | ILE | 0 | -0.097 | 0.086 | 64.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 182 | SER | 0 | -0.009 | -0.115 | 61.414 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 182 | SER | 0 | -0.010 | 0.097 | 61.314 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 183 | THR | 0 | 0.080 | -0.074 | 57.277 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 183 | THR | 0 | -0.034 | 0.071 | 55.488 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 184 | GLU | 0 | 0.099 | -0.071 | 54.237 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 184 | GLU | -1 | -0.943 | -0.815 | 51.462 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 185 | ILE | 0 | 0.044 | -0.125 | 55.623 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 185 | ILE | 0 | -0.111 | 0.102 | 57.159 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 186 | ASN | 0 | 0.066 | -0.053 | 52.228 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 186 | ASN | 0 | -0.074 | 0.045 | 50.234 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 187 | SER | 0 | 0.075 | -0.066 | 52.054 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 187 | SER | 0 | 0.001 | 0.091 | 51.443 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 188 | ALA | 0 | 0.109 | -0.107 | 48.027 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 188 | ALA | 0 | -0.043 | 0.119 | 47.111 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 189 | LEU | 0 | 0.039 | -0.109 | 47.847 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 189 | LEU | 0 | -0.053 | 0.106 | 48.971 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 190 | VAL | 0 | 0.122 | -0.102 | 49.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 190 | VAL | 0 | -0.066 | 0.132 | 52.236 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 191 | LEU | 0 | 0.110 | -0.072 | 47.841 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 191 | LEU | 0 | -0.084 | 0.105 | 46.796 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 192 | LYS | 0 | 0.109 | -0.067 | 45.212 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 192 | LYS | 1 | 0.751 | 0.988 | 42.300 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 193 | VAL | 0 | 0.079 | -0.113 | 45.901 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 193 | VAL | 0 | -0.067 | 0.111 | 49.523 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 194 | SER | 0 | 0.058 | -0.083 | 48.286 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 194 | SER | 0 | -0.056 | 0.057 | 49.633 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 195 | TRP | 0 | 0.101 | -0.076 | 44.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 195 | TRP | 0 | -0.096 | 0.070 | 40.266 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 196 | ILE | 0 | 0.073 | -0.091 | 43.278 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 196 | ILE | 0 | -0.073 | 0.104 | 42.080 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 197 | THR | 0 | 0.041 | -0.096 | 44.250 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 197 | THR | 0 | -0.054 | 0.038 | 48.785 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 198 | PHE | 0 | 0.086 | -0.062 | 46.790 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 198 | PHE | 0 | -0.121 | 0.067 | 44.295 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 199 | LEU | 0 | 0.039 | -0.112 | 42.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 199 | LEU | 0 | -0.141 | 0.086 | 40.201 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 200 | LEU | 0 | 0.086 | -0.081 | 42.596 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 200 | LEU | 0 | -0.095 | 0.088 | 41.926 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 201 | ALA | 0 | 0.164 | -0.076 | 44.109 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 201 | ALA | 0 | -0.100 | 0.087 | 47.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 202 | LYS | 0 | 0.031 | -0.120 | 44.209 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 202 | LYS | 1 | 0.687 | 0.982 | 41.184 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 203 | GLY | 0 | -0.017 | -0.116 | 41.513 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 204 | GLU | 0 | 0.031 | -0.012 | 42.201 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 204 | GLU | -1 | -0.894 | -0.809 | 43.411 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 205 | VAL | 0 | 0.002 | -0.096 | 44.926 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 205 | VAL | 0 | -0.085 | 0.081 | 48.504 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 206 | LEU | 0 | 0.142 | -0.092 | 45.304 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 206 | LEU | 0 | -0.093 | 0.089 | 45.133 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 207 | GLN | 0 | 0.110 | -0.067 | 42.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 207 | GLN | 0 | -0.116 | 0.075 | 42.473 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 208 | MET | 0 | 0.113 | -0.118 | 39.863 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 208 | MET | 0 | -0.092 | 0.113 | 39.011 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 209 | GLU | 0 | 0.025 | -0.101 | 37.528 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 209 | GLU | -1 | -0.928 | -0.835 | 35.135 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 210 | ASP | 0 | 0.114 | -0.073 | 38.941 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 210 | ASP | -1 | -0.906 | -0.828 | 39.145 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 211 | ASP | 0 | 0.046 | -0.121 | 40.955 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 211 | ASP | -1 | -0.833 | -0.779 | 45.018 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 212 | LEU | 0 | 0.208 | -0.066 | 44.578 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 212 | LEU | 0 | -0.123 | 0.111 | 44.353 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 213 | VAL | 0 | 0.039 | -0.095 | 45.672 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 213 | VAL | 0 | -0.053 | 0.105 | 48.645 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 214 | ILE | 0 | 0.100 | -0.096 | 49.098 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 214 | ILE | 0 | -0.065 | 0.118 | 48.995 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 215 | SER | 0 | 0.048 | -0.100 | 46.121 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 215 | SER | 0 | -0.031 | 0.059 | 45.276 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 216 | PHE | 0 | 0.124 | -0.057 | 47.553 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 216 | PHE | 0 | -0.059 | 0.084 | 48.939 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 217 | GLN | 0 | 0.080 | -0.106 | 49.769 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 217 | GLN | 0 | -0.107 | 0.068 | 52.602 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 218 | LEU | 0 | 0.206 | -0.058 | 50.157 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 218 | LEU | 0 | -0.080 | 0.114 | 47.706 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 219 | MET | 0 | 0.064 | -0.128 | 49.761 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 219 | MET | 0 | -0.153 | 0.112 | 46.336 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 220 | LEU | 0 | 0.034 | -0.124 | 50.603 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 220 | LEU | 0 | -0.044 | 0.109 | 53.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 221 | CYS | 0 | 0.073 | -0.108 | 53.991 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 221 | CYS | 0 | -0.140 | 0.071 | 53.696 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 222 | VAL | 0 | 0.085 | -0.080 | 51.497 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 222 | VAL | 0 | -0.100 | 0.097 | 49.769 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 223 | LEU | 0 | 0.082 | -0.110 | 53.039 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 223 | LEU | 0 | -0.083 | 0.102 | 52.145 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 224 | ASP | 0 | 0.100 | -0.066 | 54.626 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 224 | ASP | -1 | -0.847 | -0.791 | 57.995 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 225 | TYR | 0 | 0.115 | -0.076 | 56.543 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 225 | TYR | 0 | -0.085 | 0.087 | 54.408 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 226 | PHE | 0 | 0.046 | -0.106 | 54.778 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 226 | PHE | 0 | -0.080 | 0.093 | 51.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 227 | ILE | 0 | 0.122 | -0.086 | 56.197 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 227 | ILE | 0 | -0.070 | 0.099 | 57.263 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 228 | LYS | 0 | 0.073 | -0.086 | 59.031 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 228 | LYS | 1 | 0.723 | 0.977 | 60.692 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 229 | LEU | 0 | 0.029 | -0.112 | 58.699 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 229 | LEU | 0 | -0.083 | 0.107 | 56.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 230 | SER | 0 | 0.005 | -0.119 | 59.483 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 230 | SER | 0 | -0.074 | 0.081 | 58.245 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 231 | PRO | 0 | -0.023 | -0.101 | 60.073 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 232 | PRO | 0 | 0.083 | 0.014 | 62.745 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 233 | MET | 0 | 0.052 | 0.007 | 64.938 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 233 | MET | 0 | -0.076 | 0.087 | 63.748 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 234 | LEU | 0 | -0.001 | -0.110 | 60.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 234 | LEU | 0 | -0.058 | 0.100 | 58.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 235 | LEU | 0 | 0.126 | -0.082 | 60.058 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 235 | LEU | 0 | -0.087 | 0.105 | 59.920 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 236 | LYS | 0 | 0.067 | -0.106 | 61.294 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 236 | LYS | 1 | 0.745 | 1.005 | 57.279 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 237 | GLU | 0 | 0.014 | -0.104 | 62.880 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 237 | GLU | -1 | -0.832 | -0.758 | 66.362 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 238 | PRO | 0 | 0.023 | -0.102 | 62.833 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 239 | TYR | 0 | 0.092 | -0.010 | 62.187 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 239 | TYR | 0 | -0.097 | 0.064 | 59.031 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 240 | LYS | 0 | 0.168 | -0.069 | 63.653 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 240 | LYS | 1 | 0.695 | 0.976 | 65.258 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 241 | THR | 0 | 0.028 | -0.107 | 65.982 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 241 | THR | 0 | -0.092 | 0.029 | 68.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 242 | ALA | 0 | 0.067 | -0.099 | 66.156 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 242 | ALA | 0 | -0.078 | 0.106 | 65.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 243 | VAL | 0 | -0.016 | -0.147 | 65.899 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 243 | VAL | 0 | -0.049 | 0.137 | 63.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 244 | ILE | 0 | -0.137 | -0.160 | 66.932 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 244 | ILE | 0 | 0.048 | 0.044 | 69.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 270 | ASP | 0 | 0.149 | 0.024 | 66.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 270 | ASP | -1 | -0.878 | -0.776 | 68.354 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 271 | THR | 0 | -0.014 | -0.124 | 65.525 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 271 | THR | 0 | -0.064 | 0.050 | 66.787 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 272 | ARG | 0 | 0.083 | -0.112 | 65.169 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 272 | ARG | 1 | 0.757 | 0.988 | 67.721 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 273 | ILE | 0 | 0.057 | -0.089 | 62.774 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 273 | ILE | 0 | -0.079 | 0.127 | 60.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 274 | ILE | 0 | 0.152 | -0.077 | 60.321 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 274 | ILE | 0 | -0.069 | 0.110 | 58.419 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 275 | GLU | 0 | 0.093 | -0.112 | 61.106 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 275 | GLU | -1 | -0.917 | -0.799 | 65.373 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 276 | VAL | 0 | 0.046 | -0.091 | 63.189 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 276 | VAL | 0 | -0.066 | 0.109 | 61.692 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 277 | LEU | 0 | 0.110 | -0.087 | 58.584 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 277 | LEU | 0 | -0.108 | 0.091 | 56.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 278 | CYS | 0 | 0.142 | -0.097 | 58.668 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 278 | CYS | 0 | -0.172 | 0.072 | 59.714 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 279 | LYS | 0 | -0.006 | -0.090 | 60.067 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 279 | LYS | 1 | 0.782 | 0.990 | 64.014 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 280 | GLU | 0 | 0.073 | -0.115 | 60.110 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 280 | GLU | -1 | -0.908 | -0.789 | 59.427 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 281 | HIS | 0 | 0.001 | -0.073 | 56.203 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 281 | HIS | 0 | -0.067 | 0.094 | 54.126 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 282 | GLU | 0 | 0.096 | -0.095 | 56.533 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 282 | GLU | -1 | -1.019 | -0.849 | 58.058 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 283 | CYS | 0 | 0.110 | -0.114 | 57.376 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 283 | CYS | 0 | -0.131 | 0.069 | 55.782 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 284 | ASN | 0 | 0.152 | -0.073 | 58.185 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 284 | ASN | 0 | -0.160 | 0.052 | 59.013 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 285 | ILE | 0 | 0.119 | -0.094 | 59.483 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 285 | ILE | 0 | -0.060 | 0.094 | 62.483 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 286 | ASP | 0 | 0.079 | -0.072 | 61.430 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 286 | ASP | -1 | -0.894 | -0.810 | 63.322 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 287 | GLU | 0 | 0.045 | -0.147 | 57.775 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 287 | GLU | -1 | -0.887 | -0.773 | 56.346 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 288 | VAL | 0 | 0.084 | -0.077 | 56.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 288 | VAL | 0 | -0.061 | 0.110 | 56.032 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 289 | LYS | 0 | 0.100 | -0.099 | 57.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 289 | LYS | 1 | 0.738 | 0.989 | 61.913 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 290 | ASN | 0 | 0.125 | -0.037 | 58.850 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 290 | ASN | 0 | -0.113 | 0.055 | 56.093 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 291 | VAL | 0 | 0.063 | -0.117 | 54.494 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 291 | VAL | 0 | -0.073 | 0.122 | 52.589 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 292 | TYR | 0 | 0.161 | -0.079 | 54.943 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 292 | TYR | 0 | -0.182 | 0.041 | 57.533 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 293 | PHE | 0 | 0.082 | -0.089 | 57.048 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 293 | PHE | 0 | -0.141 | 0.064 | 60.046 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 294 | LYS | 0 | 0.047 | -0.070 | 55.992 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 294 | LYS | 1 | 0.777 | 1.007 | 55.173 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 295 | ASN | 0 | 0.089 | -0.088 | 51.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 295 | ASN | 0 | -0.116 | 0.036 | 50.036 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 296 | PHE | 0 | 0.103 | -0.053 | 52.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 296 | PHE | 0 | -0.053 | 0.081 | 52.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 297 | ILE | 0 | 0.085 | -0.081 | 53.468 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 297 | ILE | 0 | -0.093 | 0.088 | 57.739 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 298 | PRO | 0 | -0.013 | -0.120 | 52.971 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 299 | PHE | 0 | 0.176 | 0.061 | 50.478 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 299 | PHE | 0 | -0.077 | 0.110 | 46.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 300 | MET | 0 | 0.015 | -0.128 | 51.349 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 300 | MET | 0 | -0.108 | 0.105 | 51.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 301 | ASN | 0 | 0.041 | -0.094 | 53.557 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 301 | ASN | 0 | -0.113 | 0.060 | 56.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 302 | SER | 0 | -0.038 | -0.100 | 52.850 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 302 | SER | 0 | -0.060 | 0.049 | 52.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 303 | LEU | 0 | -0.096 | -0.137 | 48.903 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 303 | LEU | 0 | 0.036 | 0.034 | 45.565 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 311 | LEU | 0 | 0.161 | 0.012 | 52.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 311 | LEU | 0 | -0.167 | 0.080 | 51.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 312 | PRO | 0 | -0.022 | -0.112 | 48.871 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 313 | GLU | 0 | 0.185 | 0.035 | 49.808 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 313 | GLU | -1 | -0.925 | -0.814 | 47.228 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 314 | VAL | 0 | 0.026 | -0.130 | 47.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 314 | VAL | 0 | -0.055 | 0.114 | 46.261 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 315 | GLU | 0 | 0.144 | -0.089 | 43.451 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 315 | GLU | -1 | -0.883 | -0.760 | 41.879 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 316 | ASN | 0 | 0.111 | -0.075 | 42.895 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 316 | ASN | 0 | -0.120 | 0.057 | 46.036 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 317 | LEU | 0 | 0.082 | -0.104 | 43.783 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 317 | LEU | 0 | -0.080 | 0.101 | 45.483 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 318 | SER | 0 | 0.089 | -0.082 | 41.310 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 318 | SER | 0 | -0.095 | 0.067 | 40.399 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 319 | LYS | 0 | 0.055 | -0.117 | 39.171 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 319 | LYS | 1 | 0.749 | 1.029 | 35.902 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 320 | ARG | 0 | 0.107 | -0.084 | 39.018 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 320 | ARG | 1 | 0.766 | 1.011 | 40.412 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 321 | TYR | 0 | 0.102 | -0.089 | 39.458 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 321 | TYR | 0 | -0.072 | 0.076 | 35.408 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 322 | GLU | 0 | 0.107 | -0.099 | 35.591 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 322 | GLU | -1 | -0.909 | -0.784 | 34.327 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 323 | GLU | 0 | 0.028 | -0.141 | 34.559 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 323 | GLU | -1 | -0.955 | -0.826 | 37.518 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 324 | ILE | 0 | 0.088 | -0.080 | 35.024 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 324 | ILE | 0 | -0.085 | 0.102 | 36.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 325 | TYR | 0 | 0.053 | -0.084 | 33.811 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 325 | TYR | 0 | -0.130 | 0.050 | 28.514 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 326 | LEU | 0 | 0.064 | -0.117 | 30.404 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 326 | LEU | 0 | -0.074 | 0.100 | 29.409 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 327 | LYS | 0 | 0.085 | -0.079 | 30.027 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 327 | LYS | 1 | 0.779 | 1.029 | 33.442 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 328 | ASN | 0 | -0.001 | -0.144 | 31.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 328 | ASN | 0 | -0.061 | 0.097 | 32.857 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 329 | LYS | 0 | 0.013 | -0.091 | 27.585 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 329 | LYS | 1 | 0.832 | 1.058 | 24.895 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 330 | ASP | 0 | 0.190 | -0.039 | 27.629 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 330 | ASP | -1 | -0.888 | -0.823 | 31.040 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 331 | LEU | 0 | 0.041 | -0.168 | 29.206 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 331 | LEU | 0 | -0.069 | 0.114 | 29.785 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 332 | ASP | 0 | 0.186 | -0.061 | 31.769 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 332 | ASP | -1 | -0.891 | -0.773 | 32.296 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 333 | ALA | 0 | 0.081 | -0.108 | 33.626 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 333 | ALA | 0 | -0.044 | 0.112 | 36.947 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 334 | ARG | 0 | 0.052 | -0.103 | 36.786 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 334 | ARG | 1 | 0.719 | 0.939 | 34.760 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 335 | LEU | 0 | 0.068 | -0.069 | 34.942 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 335 | LEU | 0 | -0.068 | 0.077 | 32.026 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 336 | PHE | 0 | 0.060 | -0.104 | 36.463 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 336 | PHE | 0 | -0.068 | 0.099 | 37.073 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 337 | LEU | 0 | 0.037 | -0.106 | 38.872 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 337 | LEU | 0 | -0.085 | 0.089 | 40.881 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 338 | ASP | 0 | 0.062 | -0.108 | 37.964 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 338 | ASP | -1 | -0.940 | -0.840 | 37.139 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 339 | HIS | 0 | 0.023 | -0.073 | 38.403 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 339 | HIS | 1 | 0.732 | 0.991 | 39.040 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 340 | ASP | 0 | 0.157 | -0.062 | 34.042 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 340 | ASP | -1 | -0.835 | -0.786 | 31.685 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 341 | LYS | 0 | 0.041 | -0.095 | 31.687 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 341 | LYS | 1 | 0.893 | 1.058 | 31.006 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 342 | THR | 0 | 0.016 | -0.042 | 29.625 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 342 | THR | 0 | -0.037 | 0.063 | 28.730 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 343 | LEU | 0 | 0.015 | -0.132 | 30.454 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 343 | LEU | 0 | -0.076 | 0.102 | 32.631 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 344 | GLN | 0 | 0.126 | -0.079 | 33.309 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 344 | GLN | 0 | -0.137 | 0.045 | 33.814 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 345 | THR | 0 | 0.000 | -0.105 | 33.193 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 345 | THR | 0 | -0.041 | 0.104 | 33.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 346 | ASP | 0 | 0.061 | -0.069 | 34.825 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 346 | ASP | -1 | -0.872 | -0.803 | 33.917 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 347 | SER | 0 | 0.102 | -0.074 | 36.743 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 347 | SER | 0 | -0.041 | 0.059 | 40.239 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 348 | ILE | 0 | 0.029 | -0.098 | 36.185 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 348 | ILE | 0 | -0.059 | 0.097 | 34.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 349 | ASP | 0 | 0.138 | -0.090 | 33.065 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 349 | ASP | -1 | -0.892 | -0.807 | 31.608 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 350 | SER | 0 | 0.140 | -0.033 | 33.971 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 350 | SER | 0 | -0.073 | 0.067 | 37.725 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 351 | PHE | 0 | 0.065 | -0.095 | 36.832 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 351 | PHE | 0 | -0.109 | 0.073 | 37.313 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 352 | GLU | 0 | 0.047 | -0.128 | 33.615 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 352 | GLU | -1 | -0.924 | -0.822 | 32.667 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 353 | THR | 0 | 0.029 | -0.066 | 32.937 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 353 | THR | 0 | -0.057 | 0.067 | 33.161 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 354 | GLN | 0 | 0.049 | -0.092 | 33.964 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 354 | GLN | 0 | -0.078 | 0.087 | 37.587 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 355 | ARG | 0 | -0.067 | -0.139 | 33.707 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 355 | ARG | 1 | 0.880 | 0.981 | 35.174 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |