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: 8NZQY
Calculation Name: 5HQP-C-Xray540
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 5HQP
Chain ID: C
UniProt ID: Q9BS26
Base Structure: X-ray
Registration Date: 2025-07-10
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 | 620 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -4979590.59031 |
|---|---|
| FMO2-HF: Nuclear repulsion | 4846391.043643 |
| FMO2-HF: Total energy | -133199.546668 |
| FMO2-MP2: Total energy | -133583.936932 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(C:1:GLU)
Summations of interaction energy for
fragment #1(C:1:GLU)
| 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. |
| -0.685 | 1.453 | 0.024 | -0.887 | -1.276 | 0.001 |
Interaction energy analysis for fragmet #1(C:1:GLU)
| 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 | C | 2 | ILE | 0 | -0.154 | 0.096 | 3.639 | -0.047 | 0.336 | 0.006 | -0.160 | -0.229 | 0.000 |
| 5 | C | 3 | THR | 0 | 0.075 | -0.085 | 3.863 | -1.056 | -0.237 | -0.003 | -0.393 | -0.423 | 0.002 |
| 6 | C | 3 | THR | 0 | -0.009 | 0.092 | 5.699 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | C | 4 | SER | 0 | 0.001 | -0.068 | 6.316 | 0.418 | 0.418 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | C | 4 | SER | 0 | -0.055 | 0.043 | 8.793 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | C | 5 | LEU | 0 | 0.065 | -0.081 | 9.025 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | C | 5 | LEU | 0 | -0.093 | 0.091 | 10.483 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | C | 6 | ASP | 0 | 0.025 | -0.101 | 12.120 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | C | 6 | ASP | -1 | -0.870 | -0.826 | 14.062 | -0.421 | -0.421 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | C | 7 | THR | 0 | 0.041 | -0.118 | 15.465 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | C | 7 | THR | 0 | -0.058 | 0.056 | 20.205 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | C | 8 | GLU | 0 | 0.048 | -0.101 | 17.618 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | C | 8 | GLU | -1 | -1.023 | -0.874 | 17.331 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | C | 9 | ASN | 0 | 0.059 | -0.052 | 14.184 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | C | 9 | ASN | 0 | -0.096 | 0.040 | 13.211 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | C | 10 | ILE | 0 | 0.074 | -0.101 | 14.638 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | C | 10 | ILE | 0 | -0.119 | 0.083 | 15.200 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | C | 11 | ASP | 0 | 0.111 | -0.066 | 15.870 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | C | 11 | ASP | -1 | -0.909 | -0.798 | 19.501 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | C | 12 | GLU | 0 | 0.080 | -0.127 | 17.067 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | C | 12 | GLU | -1 | -0.918 | -0.818 | 15.433 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | C | 13 | ILE | 0 | 0.070 | -0.102 | 12.277 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | C | 13 | ILE | 0 | -0.074 | 0.114 | 10.190 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | C | 14 | LEU | 0 | 0.036 | -0.115 | 12.825 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | C | 14 | LEU | 0 | -0.085 | 0.098 | 12.592 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | C | 15 | ASN | 0 | 0.090 | -0.065 | 14.800 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | C | 15 | ASN | 0 | -0.135 | 0.041 | 18.659 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | C | 16 | ASN | 0 | 0.048 | -0.090 | 16.031 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | C | 16 | ASN | 0 | -0.152 | 0.029 | 15.197 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | C | 17 | ALA | 0 | 0.144 | -0.075 | 12.832 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | C | 17 | ALA | 0 | -0.072 | 0.114 | 12.160 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | C | 18 | ASP | 0 | 0.087 | -0.135 | 13.798 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | C | 18 | ASP | -1 | -0.991 | -0.844 | 15.001 | 0.355 | 0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | C | 19 | VAL | 0 | 0.019 | -0.113 | 13.523 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | C | 19 | VAL | 0 | -0.083 | 0.097 | 12.986 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | C | 20 | ALA | 0 | 0.146 | -0.079 | 11.025 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | C | 20 | ALA | 0 | -0.053 | 0.115 | 11.669 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | C | 21 | LEU | 0 | 0.082 | -0.099 | 10.826 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | C | 21 | LEU | 0 | -0.121 | 0.100 | 10.829 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | C | 22 | VAL | 0 | -0.003 | -0.127 | 10.407 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | C | 22 | VAL | 0 | -0.049 | 0.128 | 11.673 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | C | 23 | ASN | 0 | 0.170 | -0.079 | 11.305 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | C | 23 | ASN | 0 | -0.106 | 0.061 | 11.043 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | C | 24 | PHE | 0 | 0.086 | -0.090 | 12.836 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | C | 24 | PHE | 0 | -0.097 | 0.091 | 16.883 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | C | 25 | TYR | 0 | 0.066 | -0.081 | 15.038 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | C | 25 | TYR | 0 | -0.110 | 0.051 | 12.200 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | C | 26 | ALA | 0 | 0.170 | -0.090 | 16.286 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | C | 26 | ALA | 0 | -0.069 | 0.119 | 20.129 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | C | 27 | ASP | 0 | 0.086 | -0.092 | 17.126 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | C | 27 | ASP | -1 | -0.857 | -0.761 | 15.320 | -0.476 | -0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | C | 28 | TRP | 0 | 0.108 | -0.093 | 18.055 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | C | 28 | TRP | 0 | -0.120 | 0.055 | 22.145 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | C | 29 | CYS | 0 | 0.084 | -0.121 | 20.686 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | C | 29 | CYS | 0 | -0.179 | 0.105 | 20.165 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | C | 30 | ARG | 0 | 0.111 | -0.054 | 19.432 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | C | 30 | ARG | 1 | 0.870 | 1.044 | 21.066 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | C | 31 | PHE | 0 | 0.091 | -0.102 | 19.048 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | C | 31 | PHE | 0 | -0.076 | 0.062 | 19.928 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | C | 32 | SER | 0 | 0.017 | -0.102 | 15.954 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | C | 32 | SER | 0 | -0.031 | 0.059 | 15.699 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | C | 33 | GLN | 0 | 0.127 | -0.044 | 14.512 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | C | 33 | GLN | 0 | -0.168 | 0.034 | 15.751 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | C | 34 | MET | 0 | 0.064 | -0.092 | 14.673 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | C | 34 | MET | 0 | -0.164 | 0.049 | 17.915 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | C | 35 | LEU | 0 | 0.080 | -0.070 | 13.935 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | C | 35 | LEU | 0 | -0.094 | 0.085 | 12.862 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | C | 36 | HIS | 0 | 0.013 | -0.106 | 10.088 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | C | 36 | HIS | 0 | -0.091 | 0.073 | 9.612 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | C | 37 | PRO | 0 | 0.100 | -0.074 | 8.928 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | C | 38 | ILE | 0 | 0.147 | 0.032 | 9.668 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | C | 38 | ILE | 0 | -0.161 | 0.060 | 13.061 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | C | 39 | PHE | 0 | 0.120 | -0.075 | 9.383 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | C | 39 | PHE | 0 | -0.133 | 0.069 | 7.754 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | C | 40 | GLU | 0 | 0.081 | -0.100 | 5.329 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | C | 40 | GLU | -1 | -0.887 | -0.787 | 4.853 | -0.917 | -0.917 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | C | 41 | GLU | 0 | 0.137 | -0.079 | 5.962 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | C | 41 | GLU | -1 | -0.994 | -0.873 | 9.922 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | C | 42 | ALA | 0 | 0.041 | -0.105 | 8.566 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | C | 42 | ALA | 0 | -0.088 | 0.070 | 9.797 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | C | 43 | SER | 0 | 0.034 | -0.089 | 4.874 | 0.124 | 0.138 | -0.002 | -0.001 | -0.012 | 0.000 |
| 85 | C | 43 | SER | 0 | -0.045 | 0.063 | 3.098 | -0.454 | -0.221 | 0.013 | -0.113 | -0.132 | 0.000 |
| 86 | C | 44 | ASP | 0 | 0.111 | -0.103 | 4.914 | 0.357 | 0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | C | 44 | ASP | -1 | -1.019 | -0.848 | 3.583 | 0.805 | 1.341 | 0.013 | -0.194 | -0.356 | -0.001 |
| 88 | C | 45 | VAL | 0 | 0.053 | -0.094 | 5.637 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | C | 45 | VAL | 0 | -0.125 | 0.060 | 10.011 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | C | 46 | ILE | 0 | 0.058 | -0.075 | 7.958 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | C | 46 | ILE | 0 | -0.124 | 0.074 | 8.083 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | C | 47 | LYS | 0 | 0.078 | -0.110 | 5.128 | -0.231 | -0.221 | -0.002 | 0.000 | -0.009 | 0.000 |
| 93 | C | 47 | LYS | 1 | 0.757 | 1.013 | 4.052 | -2.949 | -2.806 | -0.001 | -0.026 | -0.115 | 0.000 |
| 94 | C | 48 | GLU | 0 | 0.040 | -0.113 | 6.619 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | C | 48 | GLU | -1 | -1.031 | -0.884 | 9.153 | 0.522 | 0.522 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | C | 49 | GLU | 0 | 0.134 | -0.085 | 9.557 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | C | 49 | GLU | -1 | -0.951 | -0.817 | 11.727 | 0.364 | 0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | C | 50 | PHE | 0 | 0.148 | -0.031 | 10.523 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | C | 50 | PHE | 0 | -0.210 | 0.028 | 10.453 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | C | 51 | PRO | 0 | -0.020 | -0.108 | 7.895 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | C | 52 | ASN | 0 | 0.053 | 0.018 | 9.990 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | C | 52 | ASN | 0 | -0.112 | 0.042 | 14.112 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | C | 53 | GLU | 0 | 0.075 | -0.106 | 9.000 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | C | 53 | GLU | -1 | -0.965 | -0.831 | 9.986 | 0.874 | 0.874 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | C | 54 | ASN | 0 | 0.082 | -0.100 | 8.990 | 0.342 | 0.342 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | C | 54 | ASN | 0 | -0.069 | 0.090 | 12.117 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | C | 55 | GLN | 0 | 0.133 | -0.094 | 11.653 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | C | 55 | GLN | 0 | -0.074 | 0.089 | 12.255 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | C | 56 | VAL | 0 | 0.044 | -0.093 | 10.239 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | C | 56 | VAL | 0 | -0.021 | 0.115 | 9.161 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | C | 57 | VAL | 0 | 0.034 | -0.110 | 7.049 | 0.508 | 0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | C | 57 | VAL | 0 | -0.020 | 0.138 | 7.165 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | C | 58 | PHE | 0 | 0.048 | -0.117 | 6.045 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | C | 58 | PHE | 0 | -0.034 | 0.124 | 5.316 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | C | 59 | ALA | 0 | 0.098 | -0.098 | 6.198 | -0.374 | -0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | C | 59 | ALA | 0 | -0.044 | 0.112 | 8.780 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | C | 60 | ARG | 0 | 0.056 | -0.094 | 8.225 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | C | 60 | ARG | 1 | 0.716 | 0.972 | 5.376 | 1.702 | 1.702 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | C | 61 | VAL | 0 | 0.089 | -0.115 | 10.371 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | C | 61 | VAL | 0 | -0.072 | 0.113 | 13.481 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | C | 62 | ASP | 0 | 0.149 | -0.084 | 13.843 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | C | 62 | ASP | -1 | -0.902 | -0.788 | 14.182 | -0.484 | -0.484 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | C | 63 | CYS | 0 | 0.104 | -0.111 | 15.536 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | C | 63 | CYS | 0 | -0.149 | 0.071 | 17.322 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | C | 64 | ASP | 0 | 0.061 | -0.079 | 18.866 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | C | 64 | ASP | -1 | -0.929 | -0.837 | 19.569 | -0.271 | -0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | C | 65 | GLN | 0 | 0.059 | -0.111 | 18.027 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | C | 65 | GLN | 0 | -0.128 | 0.080 | 16.919 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | C | 66 | HIS | 0 | 0.074 | -0.057 | 18.297 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | C | 66 | HIS | 0 | -0.110 | 0.070 | 14.896 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | C | 67 | SER | 0 | 0.101 | -0.085 | 19.587 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | C | 67 | SER | 0 | -0.012 | 0.087 | 23.572 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | C | 68 | ASP | 0 | -0.026 | -0.109 | 22.584 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | C | 68 | ASP | -1 | -0.807 | -0.794 | 21.353 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | C | 69 | ILE | 0 | 0.077 | -0.104 | 18.868 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | C | 69 | ILE | 0 | -0.059 | 0.120 | 16.876 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | C | 70 | ALA | 0 | 0.125 | -0.087 | 20.344 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | C | 70 | ALA | 0 | -0.099 | 0.090 | 20.533 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | C | 71 | GLN | 0 | 0.084 | -0.110 | 21.276 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | C | 71 | GLN | 0 | -0.123 | 0.087 | 25.476 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | C | 72 | ARG | 0 | 0.068 | -0.083 | 22.984 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | C | 72 | ARG | 1 | 0.703 | 0.958 | 21.058 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | C | 73 | TYR | 0 | -0.010 | -0.084 | 20.985 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | C | 73 | TYR | 0 | -0.050 | 0.081 | 18.839 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | C | 74 | ARG | 0 | 0.081 | -0.096 | 22.487 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | C | 74 | ARG | 1 | 0.782 | 1.006 | 25.751 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | C | 75 | ILE | 0 | 0.057 | -0.130 | 21.648 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | C | 75 | ILE | 0 | -0.131 | 0.099 | 19.811 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | C | 76 | SER | 0 | 0.093 | -0.070 | 22.989 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | C | 76 | SER | 0 | -0.019 | 0.072 | 26.263 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | C | 77 | LYS | 0 | 0.014 | -0.083 | 23.543 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | C | 77 | LYS | 1 | 0.756 | 0.976 | 22.965 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | C | 78 | TYR | 0 | 0.000 | -0.125 | 19.970 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | C | 78 | TYR | 0 | -0.021 | 0.132 | 19.571 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | C | 79 | PRO | 0 | -0.014 | -0.095 | 16.129 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | C | 80 | THR | 0 | -0.038 | -0.024 | 17.594 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | C | 80 | THR | 0 | 0.027 | 0.100 | 19.394 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | C | 81 | LEU | 0 | 0.116 | -0.070 | 15.288 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | C | 81 | LEU | 0 | -0.120 | 0.104 | 13.192 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | C | 82 | LYS | 0 | 0.066 | -0.106 | 15.726 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | C | 82 | LYS | 1 | 0.823 | 1.051 | 17.419 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | C | 83 | LEU | 0 | 0.163 | -0.074 | 15.389 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | C | 83 | LEU | 0 | -0.096 | 0.102 | 14.324 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | C | 84 | PHE | 0 | 0.035 | -0.113 | 15.322 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | C | 84 | PHE | 0 | -0.049 | 0.104 | 15.215 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | C | 85 | ARG | 0 | 0.220 | 0.009 | 15.758 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | C | 85 | ARG | 1 | 0.697 | 0.953 | 17.977 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | C | 86 | ASN | 0 | 0.016 | -0.086 | 16.694 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | C | 86 | ASN | 0 | -0.157 | 0.042 | 17.846 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | C | 87 | GLY | 0 | 0.087 | -0.063 | 17.507 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | C | 88 | MET | 0 | 0.081 | -0.011 | 19.128 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | C | 88 | MET | 0 | -0.123 | 0.082 | 21.943 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | C | 89 | MET | 0 | 0.106 | -0.086 | 19.695 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | C | 89 | MET | 0 | -0.118 | 0.112 | 18.852 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | C | 90 | MET | 0 | 0.013 | -0.153 | 20.123 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | C | 90 | MET | 0 | -0.078 | 0.128 | 19.650 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | C | 91 | LYS | 0 | 0.001 | -0.108 | 21.981 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | C | 91 | LYS | 1 | 0.877 | 1.066 | 24.713 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | C | 92 | ARG | 0 | 0.144 | -0.091 | 23.308 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | C | 92 | ARG | 1 | 0.738 | 0.997 | 24.059 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | C | 93 | GLU | 0 | 0.059 | -0.106 | 20.447 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | C | 93 | GLU | -1 | -0.859 | -0.800 | 20.835 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | C | 94 | TYR | 0 | 0.086 | -0.090 | 17.970 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | C | 94 | TYR | 0 | -0.118 | 0.078 | 17.401 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | C | 95 | ARG | 0 | 0.036 | -0.113 | 19.434 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | C | 95 | ARG | 1 | 0.882 | 1.084 | 23.650 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | C | 96 | GLY | 0 | -0.021 | -0.118 | 20.566 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | C | 97 | GLN | 0 | 0.153 | 0.020 | 20.573 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | C | 97 | GLN | 0 | -0.077 | 0.110 | 20.305 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | C | 98 | ARG | 0 | 0.084 | -0.057 | 17.065 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | C | 98 | ARG | 1 | 0.848 | 1.060 | 17.059 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | C | 99 | SER | 0 | 0.041 | -0.088 | 16.407 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | C | 99 | SER | 0 | -0.065 | 0.018 | 17.939 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | C | 100 | VAL | 0 | 0.135 | -0.093 | 13.116 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | C | 100 | VAL | 0 | -0.066 | 0.154 | 11.593 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | C | 101 | LYS | 0 | 0.143 | -0.055 | 13.679 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | C | 101 | LYS | 1 | 0.785 | 1.004 | 17.253 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | C | 102 | ALA | 0 | 0.065 | -0.081 | 16.128 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | C | 102 | ALA | 0 | -0.100 | 0.079 | 17.961 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | C | 103 | LEU | 0 | 0.018 | -0.117 | 13.319 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | C | 103 | LEU | 0 | -0.031 | 0.108 | 11.994 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | C | 104 | ALA | 0 | 0.192 | -0.055 | 12.636 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | C | 104 | ALA | 0 | -0.068 | 0.107 | 12.355 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | C | 105 | ASP | 0 | 0.067 | -0.107 | 13.465 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | C | 105 | ASP | -1 | -0.921 | -0.818 | 18.087 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | C | 106 | TYR | 0 | 0.078 | -0.079 | 16.723 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | C | 106 | TYR | 0 | -0.080 | 0.085 | 15.339 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | C | 107 | ILE | 0 | 0.054 | -0.116 | 13.112 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | C | 107 | ILE | 0 | -0.056 | 0.118 | 11.339 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | C | 108 | ARG | 0 | 0.131 | -0.084 | 14.626 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | C | 108 | ARG | 1 | 0.681 | 0.956 | 14.168 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | C | 109 | GLN | 0 | 0.141 | -0.059 | 16.773 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | C | 109 | GLN | 0 | -0.147 | 0.065 | 19.482 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | C | 110 | GLN | 0 | -0.023 | -0.106 | 18.011 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | C | 110 | GLN | 0 | -0.063 | 0.089 | 17.044 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | C | 111 | LYS | 0 | 0.064 | -0.109 | 16.578 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | C | 111 | LYS | 1 | 0.823 | 1.053 | 14.235 | -0.389 | -0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | C | 112 | SER | 0 | 0.015 | -0.070 | 17.843 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | C | 112 | SER | 0 | -0.058 | 0.051 | 21.188 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | C | 113 | ASP | 0 | 0.106 | -0.100 | 21.263 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | C | 113 | ASP | -1 | -0.851 | -0.768 | 24.354 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | C | 114 | PRO | 0 | -0.118 | -0.136 | 24.028 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | C | 115 | ILE | 0 | 0.067 | -0.007 | 26.701 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | C | 115 | ILE | 0 | -0.097 | 0.110 | 28.209 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | C | 116 | GLN | 0 | 0.054 | -0.107 | 29.712 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | C | 116 | GLN | 0 | -0.119 | 0.083 | 29.938 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | C | 117 | GLU | 0 | 0.147 | -0.080 | 32.291 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | C | 117 | GLU | -1 | -0.900 | -0.781 | 33.057 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | C | 118 | ILE | 0 | -0.044 | -0.139 | 34.376 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | C | 118 | ILE | 0 | -0.058 | 0.112 | 37.580 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | C | 119 | ARG | 0 | 0.095 | -0.105 | 38.174 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | C | 119 | ARG | 1 | 0.714 | 0.972 | 36.002 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | C | 120 | ASP | 0 | 0.107 | -0.051 | 41.064 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | C | 120 | ASP | -1 | -1.014 | -0.905 | 43.674 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | C | 121 | LEU | 0 | 0.169 | -0.075 | 43.064 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | C | 121 | LEU | 0 | -0.133 | 0.094 | 44.841 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | C | 122 | ALA | 0 | 0.178 | -0.040 | 43.565 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | C | 122 | ALA | 0 | -0.155 | 0.043 | 42.560 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | C | 123 | GLU | 0 | 0.069 | -0.093 | 42.779 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | C | 123 | GLU | -1 | -0.947 | -0.804 | 41.723 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | C | 124 | ILE | 0 | 0.086 | -0.122 | 42.362 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | C | 124 | ILE | 0 | -0.086 | 0.094 | 41.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | C | 125 | THR | 0 | -0.047 | -0.118 | 44.034 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | C | 125 | THR | 0 | -0.095 | 0.031 | 46.402 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | C | 126 | THR | 0 | 0.037 | -0.066 | 45.353 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | C | 126 | THR | 0 | -0.116 | 0.040 | 45.666 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | C | 127 | LEU | 0 | 0.107 | -0.143 | 41.438 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | C | 127 | LEU | 0 | 0.010 | 0.150 | 39.971 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | C | 128 | ASP | 0 | 0.042 | -0.064 | 42.022 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | C | 128 | ASP | -1 | -0.926 | -0.811 | 43.487 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | C | 129 | ARG | 0 | 0.084 | -0.060 | 44.022 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | C | 129 | ARG | 1 | 0.825 | 1.024 | 45.561 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | C | 130 | SER | 0 | 0.018 | -0.117 | 41.669 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | C | 130 | SER | 0 | -0.026 | 0.072 | 41.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | C | 131 | LYS | 0 | 0.039 | -0.099 | 37.796 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | C | 131 | LYS | 1 | 0.778 | 1.007 | 32.745 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | C | 132 | ARG | 0 | 0.056 | -0.088 | 37.846 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | C | 132 | ARG | 1 | 0.708 | 0.964 | 35.155 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | C | 133 | ASN | 0 | 0.103 | -0.051 | 36.938 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | C | 133 | ASN | 0 | -0.081 | 0.071 | 38.577 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | C | 134 | ILE | 0 | 0.128 | -0.069 | 35.690 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | C | 134 | ILE | 0 | -0.130 | 0.067 | 33.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | C | 135 | ILE | 0 | 0.072 | -0.104 | 35.604 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | C | 135 | ILE | 0 | -0.113 | 0.121 | 37.158 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | C | 136 | GLY | 0 | 0.035 | -0.122 | 35.724 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | C | 137 | TYR | 0 | 0.064 | -0.006 | 36.642 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | C | 137 | TYR | 0 | -0.074 | 0.110 | 40.283 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | C | 138 | PHE | 0 | 0.057 | -0.094 | 35.461 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | C | 138 | PHE | 0 | -0.093 | 0.074 | 33.602 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | C | 139 | GLU | 0 | 0.141 | -0.063 | 36.992 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | C | 139 | GLU | -1 | -0.878 | -0.801 | 39.509 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | C | 140 | GLN | 0 | 0.034 | -0.128 | 35.403 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | C | 140 | GLN | 0 | -0.136 | 0.070 | 34.131 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | C | 141 | LYS | 0 | 0.046 | -0.109 | 31.818 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | C | 141 | LYS | 1 | 0.745 | 1.041 | 30.907 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | C | 142 | ASP | 0 | 0.101 | -0.141 | 29.573 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | C | 142 | ASP | -1 | -0.922 | -0.789 | 28.798 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | C | 143 | SER | 0 | 0.016 | -0.080 | 30.445 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | C | 143 | SER | 0 | -0.047 | 0.044 | 33.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | C | 144 | ASP | 0 | 0.074 | -0.094 | 29.392 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | C | 144 | ASP | -1 | -0.901 | -0.809 | 29.557 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | C | 145 | ASN | 0 | 0.025 | -0.077 | 29.977 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | C | 145 | ASN | 0 | -0.123 | 0.009 | 34.003 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | C | 146 | TYR | 0 | 0.174 | -0.064 | 30.745 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | C | 146 | TYR | 0 | -0.133 | 0.050 | 27.572 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | C | 147 | ARG | 0 | 0.143 | -0.061 | 26.600 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | C | 147 | ARG | 1 | 0.691 | 0.962 | 25.178 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | C | 148 | VAL | 0 | 0.058 | -0.116 | 26.126 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | C | 148 | VAL | 0 | -0.126 | 0.099 | 28.576 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | C | 149 | PHE | 0 | 0.118 | -0.085 | 27.956 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | C | 149 | PHE | 0 | -0.078 | 0.087 | 30.778 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | C | 150 | GLU | 0 | 0.083 | -0.132 | 26.141 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | C | 150 | GLU | -1 | -0.983 | -0.824 | 22.703 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | C | 151 | ARG | 0 | 0.110 | -0.078 | 23.707 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | C | 151 | ARG | 1 | 0.831 | 1.027 | 21.477 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | C | 152 | VAL | 0 | 0.036 | -0.103 | 24.676 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | C | 152 | VAL | 0 | -0.117 | 0.082 | 28.792 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | C | 153 | ALA | 0 | 0.119 | -0.105 | 27.388 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | C | 153 | ALA | 0 | -0.037 | 0.112 | 27.114 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | C | 154 | ASN | 0 | 0.044 | -0.119 | 22.816 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | C | 154 | ASN | 0 | -0.136 | 0.069 | 20.889 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | C | 155 | ILE | 0 | 0.028 | -0.085 | 23.254 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | C | 155 | ILE | 0 | -0.105 | 0.062 | 22.476 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | C | 156 | LEU | 0 | 0.040 | -0.108 | 24.830 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | C | 156 | LEU | 0 | -0.071 | 0.087 | 28.441 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | C | 157 | HIS | 0 | 0.128 | -0.066 | 27.204 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | C | 157 | HIS | 1 | 0.807 | 1.011 | 22.924 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | C | 158 | ASP | 0 | 0.023 | -0.127 | 28.037 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | C | 158 | ASP | -1 | -0.860 | -0.768 | 26.655 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | C | 159 | ASP | 0 | 0.038 | -0.086 | 29.273 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | C | 159 | ASP | -1 | -0.911 | -0.795 | 31.695 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | C | 160 | CYS | 0 | 0.066 | -0.123 | 31.915 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | C | 160 | CYS | 0 | -0.110 | 0.113 | 33.027 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | C | 161 | ALA | 0 | 0.117 | -0.095 | 32.054 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | C | 161 | ALA | 0 | -0.090 | 0.111 | 34.990 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | C | 162 | PHE | 0 | 0.074 | -0.094 | 31.191 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | C | 162 | PHE | 0 | -0.061 | 0.116 | 30.424 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | C | 163 | LEU | 0 | 0.076 | -0.085 | 32.378 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | C | 163 | LEU | 0 | -0.097 | 0.084 | 34.721 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | C | 164 | SER | 0 | 0.068 | -0.092 | 34.034 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | C | 164 | SER | 0 | -0.025 | 0.075 | 32.728 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | C | 165 | ALA | 0 | 0.157 | -0.065 | 35.163 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | C | 165 | ALA | 0 | -0.086 | 0.097 | 39.269 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | C | 166 | PHE | 0 | -0.047 | -0.129 | 37.648 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | C | 166 | PHE | 0 | -0.104 | 0.080 | 38.905 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | C | 167 | GLY | 0 | 0.061 | -0.099 | 40.297 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | C | 168 | ASP | 0 | -0.003 | -0.006 | 43.083 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | C | 168 | ASP | -1 | -0.901 | -0.821 | 43.002 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | C | 169 | VAL | 0 | -0.054 | -0.132 | 43.617 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | C | 169 | VAL | 0 | -0.009 | 0.003 | 45.071 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | C | 178 | ASP | 0 | 0.129 | 0.037 | 37.794 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | C | 178 | ASP | -1 | -0.840 | -0.784 | 35.870 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | C | 179 | ASN | 0 | 0.038 | -0.087 | 38.944 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | C | 179 | ASN | 0 | -0.121 | 0.036 | 41.258 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | C | 180 | ILE | 0 | 0.065 | -0.079 | 37.076 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | C | 180 | ILE | 0 | -0.061 | 0.103 | 35.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | C | 181 | ILE | 0 | 0.020 | -0.109 | 38.564 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | C | 181 | ILE | 0 | -0.045 | 0.107 | 40.735 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | C | 182 | TYR | 0 | 0.165 | -0.083 | 38.849 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | C | 182 | TYR | 0 | -0.147 | 0.040 | 37.658 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | C | 183 | LYS | 0 | 0.102 | -0.123 | 40.215 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | C | 183 | LYS | 1 | 0.707 | 1.029 | 41.741 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | C | 184 | PRO | 0 | 0.015 | -0.103 | 41.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | C | 185 | PRO | 0 | 0.048 | 0.035 | 41.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | C | 186 | GLY | 0 | -0.066 | -0.056 | 43.616 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | C | 187 | HIS | 0 | 0.117 | 0.030 | 47.008 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | C | 187 | HIS | 0 | -0.035 | 0.139 | 49.461 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | C | 188 | SER | 0 | 0.001 | -0.075 | 49.597 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | C | 188 | SER | 0 | -0.074 | 0.022 | 50.532 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | C | 189 | ALA | 0 | 0.130 | -0.092 | 48.098 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | C | 189 | ALA | 0 | -0.079 | 0.116 | 47.383 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | C | 190 | PRO | 0 | -0.053 | -0.117 | 47.584 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | C | 191 | ASP | 0 | 0.098 | -0.012 | 44.683 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | C | 191 | ASP | -1 | -0.883 | -0.803 | 44.762 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | C | 192 | MET | 0 | -0.026 | -0.101 | 43.660 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | C | 192 | MET | 0 | -0.110 | 0.088 | 42.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | C | 193 | VAL | 0 | 0.184 | -0.115 | 42.427 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | C | 193 | VAL | 0 | -0.071 | 0.113 | 43.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | C | 194 | TYR | 0 | 0.035 | -0.108 | 39.458 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | C | 194 | TYR | 0 | -0.054 | 0.091 | 35.690 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | C | 195 | LEU | 0 | -0.045 | -0.132 | 40.972 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | C | 195 | LEU | 0 | -0.058 | 0.102 | 43.708 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | C | 196 | GLY | 0 | 0.048 | -0.090 | 39.007 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | C | 197 | ALA | 0 | 0.131 | 0.011 | 37.294 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | C | 197 | ALA | 0 | -0.107 | 0.095 | 36.745 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | C | 198 | MET | 0 | 0.098 | -0.108 | 34.438 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | C | 198 | MET | 0 | -0.089 | 0.124 | 34.542 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | C | 199 | THR | 0 | 0.059 | -0.056 | 32.388 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | C | 199 | THR | 0 | -0.055 | 0.054 | 33.301 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | C | 200 | ASN | 0 | 0.099 | -0.070 | 31.444 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | C | 200 | ASN | 0 | -0.129 | 0.054 | 31.414 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | C | 201 | PHE | 0 | 0.163 | -0.065 | 28.039 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | C | 201 | PHE | 0 | -0.066 | 0.116 | 25.598 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | C | 202 | ASP | 0 | 0.078 | -0.094 | 29.529 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | C | 202 | ASP | -1 | -0.899 | -0.805 | 28.556 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | C | 203 | VAL | 0 | 0.061 | -0.115 | 30.756 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | C | 203 | VAL | 0 | -0.072 | 0.105 | 34.950 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | C | 204 | THR | 0 | 0.007 | -0.078 | 33.120 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | C | 204 | THR | 0 | 0.010 | 0.094 | 32.088 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | C | 205 | TYR | 0 | 0.127 | -0.076 | 29.783 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | C | 205 | TYR | 0 | -0.069 | 0.098 | 27.662 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | C | 206 | ASN | 0 | 0.083 | -0.081 | 31.078 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | C | 206 | ASN | 0 | -0.163 | 0.034 | 31.981 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | C | 207 | TRP | 0 | 0.112 | -0.080 | 33.659 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | C | 207 | TRP | 0 | -0.081 | 0.089 | 36.491 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | C | 208 | ILE | 0 | 0.103 | -0.066 | 33.750 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | C | 208 | ILE | 0 | -0.044 | 0.103 | 32.740 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | C | 209 | GLN | 0 | 0.118 | -0.085 | 32.553 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | C | 209 | GLN | 0 | -0.103 | 0.090 | 30.385 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | C | 210 | ASP | 0 | 0.079 | -0.102 | 33.246 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | C | 210 | ASP | -1 | -0.951 | -0.820 | 37.594 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | C | 211 | LYS | 0 | -0.007 | -0.127 | 36.962 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | C | 211 | LYS | 1 | 0.762 | 0.978 | 37.190 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | C | 212 | CYS | 0 | 0.112 | -0.082 | 33.643 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | C | 212 | CYS | 0 | -0.167 | 0.087 | 33.028 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | C | 213 | VAL | 0 | 0.083 | -0.096 | 33.527 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | C | 213 | VAL | 0 | -0.090 | 0.130 | 31.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | C | 214 | PRO | 0 | 0.032 | -0.111 | 34.968 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | C | 215 | LEU | 0 | 0.124 | 0.018 | 37.082 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | C | 215 | LEU | 0 | -0.098 | 0.116 | 38.108 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | C | 216 | VAL | 0 | 0.074 | -0.068 | 38.344 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | C | 216 | VAL | 0 | -0.066 | 0.080 | 40.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | C | 217 | ARG | 0 | 0.101 | -0.062 | 39.671 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | C | 217 | ARG | 1 | 0.768 | 1.003 | 39.026 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | C | 218 | GLU | 0 | 0.136 | -0.102 | 40.679 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | C | 218 | GLU | -1 | -0.999 | -0.854 | 42.836 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | C | 219 | ILE | 0 | 0.121 | -0.077 | 40.343 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | C | 219 | ILE | 0 | -0.135 | 0.092 | 38.446 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | C | 220 | THR | 0 | -0.029 | -0.092 | 40.982 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | C | 220 | THR | 0 | -0.109 | 0.016 | 42.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | C | 221 | PHE | 0 | 0.122 | -0.061 | 40.851 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | C | 221 | PHE | 0 | -0.118 | 0.053 | 40.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | C | 222 | GLU | 0 | 0.059 | -0.107 | 40.408 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | C | 222 | GLU | -1 | -0.840 | -0.782 | 40.684 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | C | 223 | ASN | 0 | 0.020 | -0.093 | 37.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | C | 223 | ASN | 0 | -0.078 | 0.068 | 37.183 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | C | 224 | GLY | 0 | 0.060 | -0.100 | 36.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | C | 225 | GLU | 0 | 0.086 | 0.019 | 34.800 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | C | 225 | GLU | -1 | -0.979 | -0.850 | 34.267 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | C | 226 | GLU | 0 | 0.092 | -0.098 | 31.637 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | C | 226 | GLU | -1 | -0.963 | -0.851 | 30.198 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | C | 227 | LEU | 0 | 0.027 | -0.107 | 31.458 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | C | 227 | LEU | 0 | -0.075 | 0.095 | 33.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | C | 228 | THR | 0 | 0.023 | -0.106 | 33.274 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | C | 228 | THR | 0 | -0.072 | 0.040 | 33.735 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | C | 229 | GLU | 0 | 0.109 | -0.074 | 29.498 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | C | 229 | GLU | -1 | -0.978 | -0.815 | 27.355 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | C | 230 | GLU | 0 | 0.025 | -0.134 | 27.647 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | C | 230 | GLU | -1 | -0.926 | -0.815 | 28.804 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | C | 231 | GLY | 0 | -0.010 | -0.100 | 27.992 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | C | 232 | LEU | 0 | -0.007 | -0.053 | 29.272 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | C | 232 | LEU | 0 | -0.070 | 0.143 | 29.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | C | 233 | PRO | 0 | 0.002 | -0.105 | 31.576 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | C | 234 | PHE | 0 | 0.102 | 0.006 | 34.837 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | C | 234 | PHE | 0 | -0.070 | 0.106 | 35.067 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | C | 235 | LEU | 0 | 0.123 | -0.084 | 37.783 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | C | 235 | LEU | 0 | -0.124 | 0.086 | 40.185 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | C | 236 | ILE | 0 | 0.064 | -0.115 | 40.791 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | C | 236 | ILE | 0 | -0.092 | 0.115 | 40.474 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | C | 237 | LEU | 0 | 0.130 | -0.095 | 43.423 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | C | 237 | LEU | 0 | -0.106 | 0.118 | 46.510 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | C | 238 | PHE | 0 | 0.057 | -0.090 | 46.735 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | C | 238 | PHE | 0 | -0.067 | 0.093 | 45.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | C | 239 | HIS | 0 | 0.095 | -0.088 | 48.835 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | C | 239 | HIS | 1 | 0.752 | 0.998 | 48.752 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | C | 240 | MET | 0 | 0.158 | -0.071 | 51.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | C | 240 | MET | 0 | -0.100 | 0.090 | 55.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | C | 241 | LYS | 0 | 0.074 | -0.075 | 52.433 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | C | 241 | LYS | 1 | 0.701 | 0.969 | 51.964 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | C | 242 | GLU | 0 | -0.009 | -0.130 | 53.221 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | C | 242 | GLU | -1 | -0.878 | -0.829 | 56.917 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | C | 243 | ASP | 0 | 0.018 | -0.073 | 55.154 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | C | 243 | ASP | -1 | -0.843 | -0.781 | 54.175 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | C | 244 | THR | 0 | 0.063 | -0.111 | 52.696 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | C | 244 | THR | 0 | -0.026 | 0.076 | 53.085 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | C | 245 | GLU | 0 | 0.154 | -0.076 | 52.444 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | C | 245 | GLU | -1 | -1.031 | -0.852 | 55.896 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | C | 246 | SER | 0 | 0.058 | -0.108 | 52.686 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | C | 246 | SER | 0 | -0.056 | 0.034 | 52.313 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | C | 247 | LEU | 0 | 0.123 | -0.092 | 48.798 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | C | 247 | LEU | 0 | -0.121 | 0.106 | 46.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | C | 248 | GLU | 0 | 0.035 | -0.114 | 48.134 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | C | 248 | GLU | -1 | -0.940 | -0.804 | 50.931 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | C | 249 | ILE | 0 | 0.059 | -0.100 | 49.557 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | C | 249 | ILE | 0 | -0.071 | 0.100 | 51.034 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | C | 250 | PHE | 0 | 0.119 | -0.080 | 47.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | C | 250 | PHE | 0 | -0.099 | 0.084 | 43.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | C | 251 | GLN | 0 | 0.090 | -0.100 | 44.587 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | C | 251 | GLN | 0 | -0.116 | 0.060 | 44.065 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | C | 252 | ASN | 0 | 0.096 | -0.063 | 44.825 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | C | 252 | ASN | 0 | -0.174 | 0.024 | 48.926 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | C | 253 | GLU | 0 | 0.111 | -0.083 | 46.517 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | C | 253 | GLU | -1 | -0.878 | -0.766 | 47.601 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | C | 254 | VAL | 0 | 0.031 | -0.139 | 42.484 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | C | 254 | VAL | 0 | -0.042 | 0.112 | 41.444 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | C | 255 | ALA | 0 | 0.096 | -0.095 | 41.907 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | C | 255 | ALA | 0 | -0.056 | 0.100 | 43.423 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | C | 256 | ARG | 0 | -0.008 | -0.123 | 42.843 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | C | 256 | ARG | 1 | 0.750 | 0.995 | 46.697 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | C | 257 | GLN | 0 | 0.039 | -0.082 | 43.921 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | C | 257 | GLN | 0 | -0.117 | 0.053 | 44.561 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | C | 258 | LEU | 0 | 0.030 | -0.103 | 39.965 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | C | 258 | LEU | 0 | -0.070 | 0.092 | 39.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | C | 259 | ILE | 0 | 0.162 | -0.078 | 38.228 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | C | 259 | ILE | 0 | -0.085 | 0.116 | 37.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | C | 260 | SER | 0 | 0.020 | -0.111 | 35.367 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | C | 260 | SER | 0 | -0.076 | 0.029 | 35.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | C | 261 | GLU | 0 | 0.032 | -0.103 | 33.784 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | C | 261 | GLU | -1 | -0.869 | -0.773 | 35.341 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | C | 262 | LYS | 0 | 0.033 | -0.107 | 33.941 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | C | 262 | LYS | 1 | 0.769 | 1.026 | 33.183 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | C | 263 | GLY | 0 | -0.017 | -0.121 | 29.814 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | C | 264 | THR | 0 | 0.017 | 0.012 | 29.164 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | C | 264 | THR | 0 | -0.069 | 0.060 | 30.134 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | C | 265 | ILE | 0 | -0.003 | -0.119 | 31.140 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | C | 265 | ILE | 0 | -0.062 | 0.092 | 34.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | C | 266 | ASN | 0 | 0.158 | -0.048 | 34.515 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | C | 266 | ASN | 0 | -0.165 | 0.042 | 33.064 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | C | 267 | PHE | 0 | 0.079 | -0.116 | 35.479 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | C | 267 | PHE | 0 | -0.113 | 0.100 | 36.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | C | 268 | LEU | 0 | 0.045 | -0.100 | 38.907 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | C | 268 | LEU | 0 | -0.062 | 0.104 | 36.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | C | 269 | HIS | 0 | 0.072 | -0.070 | 40.920 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | C | 269 | HIS | 0 | -0.074 | 0.078 | 43.979 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | C | 270 | ALA | 0 | 0.148 | -0.084 | 44.039 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | C | 270 | ALA | 0 | -0.055 | 0.094 | 44.887 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | C | 271 | ASP | 0 | 0.173 | -0.071 | 46.184 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | C | 271 | ASP | -1 | -0.866 | -0.763 | 48.952 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | C | 272 | CYS | 0 | 0.139 | -0.102 | 49.392 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | C | 272 | CYS | 0 | -0.340 | 0.185 | 51.751 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | C | 273 | ASP | 0 | 0.105 | -0.082 | 51.472 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | C | 273 | ASP | -1 | -0.845 | -0.798 | 53.141 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | C | 274 | LYS | 0 | 0.043 | -0.099 | 49.697 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | C | 274 | LYS | 1 | 0.742 | 0.973 | 48.705 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | C | 275 | PHE | 0 | 0.057 | -0.081 | 47.437 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | C | 275 | PHE | 0 | -0.071 | 0.123 | 42.602 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | C | 276 | ARG | 0 | 0.177 | -0.076 | 48.372 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | C | 276 | ARG | 1 | 0.722 | 0.997 | 52.245 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | C | 277 | HIS | 0 | 0.069 | -0.083 | 48.911 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | C | 277 | HIS | 0 | -0.061 | 0.089 | 46.754 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | C | 278 | PRO | 0 | 0.033 | -0.122 | 44.779 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | C | 279 | LEU | 0 | 0.104 | 0.030 | 46.842 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | C | 279 | LEU | 0 | -0.098 | 0.085 | 49.509 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | C | 280 | LEU | 0 | 0.032 | -0.107 | 50.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | C | 280 | LEU | 0 | -0.096 | 0.077 | 51.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | C | 281 | HIS | 0 | 0.107 | -0.063 | 46.967 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | C | 281 | HIS | 0 | -0.080 | 0.087 | 42.922 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | C | 282 | ILE | 0 | 0.061 | -0.087 | 48.358 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | C | 282 | ILE | 0 | -0.094 | 0.081 | 48.295 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | C | 283 | GLN | 0 | -0.065 | -0.135 | 50.165 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | C | 283 | GLN | 0 | -0.057 | 0.088 | 52.432 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | C | 284 | LYS | 0 | 0.070 | -0.089 | 53.242 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | C | 284 | LYS | 1 | 0.788 | 1.006 | 52.518 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | C | 285 | THR | 0 | 0.120 | -0.040 | 54.025 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | C | 285 | THR | 0 | -0.083 | 0.044 | 57.875 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | C | 286 | PRO | 0 | 0.016 | -0.120 | 54.577 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | C | 287 | ALA | 0 | 0.126 | 0.024 | 55.613 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | C | 287 | ALA | 0 | -0.111 | 0.076 | 60.210 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | C | 288 | ASP | 0 | 0.015 | -0.116 | 56.287 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | C | 288 | ASP | -1 | -0.834 | -0.810 | 55.521 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | C | 289 | CYS | 0 | 0.019 | -0.081 | 54.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | C | 290 | PRO | 0 | 0.009 | -0.097 | 52.615 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | C | 291 | VAL | 0 | 0.062 | -0.014 | 51.307 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | C | 291 | VAL | 0 | -0.077 | 0.094 | 49.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | C | 292 | ILE | 0 | 0.109 | -0.070 | 47.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | C | 292 | ILE | 0 | -0.080 | 0.093 | 45.796 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | C | 293 | ALA | 0 | 0.083 | -0.110 | 45.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | C | 293 | ALA | 0 | -0.059 | 0.105 | 45.703 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | C | 294 | ILE | 0 | 0.077 | -0.085 | 41.528 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | C | 294 | ILE | 0 | -0.091 | 0.099 | 39.415 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | C | 295 | ASP | 0 | 0.022 | -0.123 | 40.108 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | C | 295 | ASP | -1 | -0.836 | -0.803 | 39.855 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | C | 296 | SER | 0 | -0.005 | -0.063 | 36.336 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | C | 296 | SER | 0 | -0.075 | 0.022 | 36.276 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | C | 297 | PHE | 0 | 0.060 | -0.094 | 35.646 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | C | 297 | PHE | 0 | -0.044 | 0.119 | 32.984 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | C | 298 | ARG | 0 | 0.146 | -0.074 | 36.901 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | C | 298 | ARG | 1 | 0.724 | 0.988 | 36.387 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | C | 299 | HIS | 0 | 0.003 | -0.134 | 38.378 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | C | 299 | HIS | 0 | -0.025 | 0.093 | 41.610 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | C | 300 | MET | 0 | 0.099 | -0.067 | 40.835 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | C | 300 | MET | 0 | -0.078 | 0.113 | 42.449 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | C | 301 | TYR | 0 | 0.019 | -0.121 | 43.506 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | C | 301 | TYR | 0 | -0.084 | 0.080 | 40.442 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | C | 302 | VAL | 0 | 0.147 | -0.063 | 45.382 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | C | 302 | VAL | 0 | -0.084 | 0.088 | 49.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | C | 303 | PHE | 0 | 0.081 | -0.081 | 47.785 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | C | 303 | PHE | 0 | -0.141 | 0.074 | 47.332 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | C | 304 | GLY | 0 | -0.033 | -0.122 | 48.525 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | C | 305 | ASP | 0 | 0.150 | -0.001 | 52.328 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | C | 305 | ASP | -1 | -0.951 | -0.788 | 55.970 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | C | 306 | PHE | 0 | 0.112 | -0.078 | 52.697 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | C | 306 | PHE | 0 | -0.056 | 0.114 | 50.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | C | 307 | LYS | 0 | 0.109 | -0.059 | 53.314 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | C | 307 | LYS | 1 | 0.765 | 0.970 | 57.484 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | C | 308 | ASP | 0 | 0.066 | -0.113 | 54.288 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | C | 308 | ASP | -1 | -0.878 | -0.774 | 53.458 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | C | 309 | VAL | 0 | 0.057 | -0.127 | 50.347 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | C | 309 | VAL | 0 | -0.042 | 0.124 | 48.600 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | C | 310 | LEU | 0 | 0.043 | -0.112 | 50.504 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | C | 310 | LEU | 0 | -0.071 | 0.104 | 52.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | C | 311 | ILE | 0 | 0.052 | -0.091 | 52.852 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | C | 311 | ILE | 0 | -0.118 | 0.092 | 52.120 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | C | 312 | PRO | 0 | 0.039 | -0.116 | 49.921 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | C | 313 | GLY | 0 | 0.002 | 0.005 | 47.470 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | C | 314 | LYS | 0 | 0.079 | -0.010 | 47.100 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | C | 314 | LYS | 1 | 0.709 | 0.990 | 49.818 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | C | 315 | LEU | 0 | 0.143 | -0.091 | 46.067 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | C | 315 | LEU | 0 | -0.080 | 0.111 | 44.276 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | C | 316 | LYS | 0 | 0.157 | -0.091 | 42.783 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | C | 316 | LYS | 1 | 0.769 | 1.026 | 42.216 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | C | 317 | GLN | 0 | 0.005 | -0.104 | 42.370 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | C | 317 | GLN | 0 | -0.104 | 0.078 | 43.556 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | C | 318 | PHE | 0 | 0.071 | -0.084 | 43.316 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | C | 318 | PHE | 0 | -0.062 | 0.094 | 44.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | C | 319 | VAL | 0 | 0.071 | -0.111 | 39.963 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | C | 319 | VAL | 0 | -0.034 | 0.131 | 38.006 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | C | 320 | PHE | 0 | 0.160 | -0.056 | 38.832 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | C | 320 | PHE | 0 | -0.109 | 0.074 | 37.422 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | C | 321 | ASP | 0 | 0.059 | -0.104 | 39.425 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | C | 321 | ASP | -1 | -0.944 | -0.844 | 43.191 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | C | 322 | LEU | 0 | 0.107 | -0.101 | 38.944 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | C | 322 | LEU | 0 | -0.066 | 0.110 | 36.624 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | C | 323 | HIS | 0 | 0.034 | -0.104 | 35.475 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | C | 323 | HIS | 0 | -0.115 | 0.073 | 34.327 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | C | 324 | SER | 0 | 0.075 | -0.068 | 35.783 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | C | 324 | SER | 0 | -0.081 | 0.050 | 39.561 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | C | 325 | GLY | 0 | -0.047 | -0.107 | 38.217 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | C | 326 | LYS | 0 | 0.077 | 0.005 | 39.112 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | C | 326 | LYS | 1 | 0.781 | 1.045 | 42.662 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | C | 327 | LEU | 0 | 0.005 | -0.132 | 42.715 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | C | 327 | LEU | 0 | -0.090 | 0.068 | 46.242 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | C | 328 | HIS | 0 | 0.096 | -0.051 | 44.524 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | C | 328 | HIS | 0 | -0.041 | 0.126 | 40.689 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | C | 329 | ARG | 0 | 0.054 | -0.085 | 45.838 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | C | 329 | ARG | 1 | 0.724 | 0.993 | 47.844 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | C | 330 | GLU | 0 | 0.145 | -0.082 | 47.699 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | C | 330 | GLU | -1 | -0.918 | -0.811 | 51.459 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | C | 331 | PHE | 0 | -0.087 | -0.162 | 49.210 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | C | 331 | PHE | 0 | 0.078 | 0.053 | 45.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |