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: 9MVM2
Calculation Name: 3MV3-B-Xray540
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 3MV3
Chain ID: B
UniProt ID: P53622
Base Structure: X-ray
Registration Date: 2025-07-09
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 | 572 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -4243158.216519 |
|---|---|
| FMO2-HF: Nuclear repulsion | 4126564.724249 |
| FMO2-HF: Total energy | -116593.492271 |
| FMO2-MP2: Total energy | -116936.268301 |
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(B:1:MET)
Summations of interaction energy for
fragment #1(B:1:MET)
| 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. |
| -1.222 | 4.304 | 1.692 | -3.565 | -3.654 | -0.018 |
Interaction energy analysis for fragmet #1(B:1:MET)
| 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 | B | 2 | ASP | -1 | -0.962 | -0.849 | 2.782 | -4.791 | -2.724 | 0.422 | -1.263 | -1.225 | -0.012 |
| 5 | B | 3 | TYR | 0 | 0.093 | -0.070 | 3.889 | -0.484 | 0.708 | -0.003 | -0.609 | -0.581 | 0.001 |
| 6 | B | 3 | TYR | 0 | -0.157 | 0.029 | 5.417 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | B | 4 | PHE | 0 | 0.167 | -0.095 | 3.924 | 1.000 | 1.335 | 0.000 | -0.147 | -0.188 | 0.001 |
| 8 | B | 4 | PHE | 0 | -0.064 | 0.106 | 3.097 | -0.650 | -0.388 | 0.052 | -0.133 | -0.182 | 0.001 |
| 9 | B | 5 | ASN | 0 | 0.062 | -0.098 | 4.851 | 0.433 | 0.483 | -0.002 | -0.006 | -0.042 | 0.000 |
| 10 | B | 5 | ASN | 0 | -0.114 | 0.047 | 8.091 | -0.276 | -0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | B | 6 | ILE | 0 | 0.107 | -0.059 | 8.368 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | B | 6 | ILE | 0 | -0.122 | 0.096 | 8.803 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | B | 7 | LYS | 0 | 0.125 | -0.091 | 8.149 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | B | 7 | LYS | 1 | 0.747 | 1.019 | 6.374 | -1.331 | -1.331 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | B | 8 | GLN | 0 | 0.082 | -0.078 | 8.678 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | B | 8 | GLN | 0 | -0.062 | 0.075 | 8.785 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | B | 9 | ASN | 0 | 0.073 | -0.060 | 10.364 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | B | 9 | ASN | 0 | -0.114 | 0.045 | 11.764 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | B | 10 | TYR | 0 | 0.122 | -0.067 | 12.636 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | B | 10 | TYR | 0 | -0.068 | 0.083 | 12.974 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | B | 11 | TYR | 0 | 0.036 | -0.122 | 13.099 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | B | 11 | TYR | 0 | -0.102 | 0.091 | 11.137 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | B | 12 | THR | 0 | 0.002 | -0.114 | 14.735 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | B | 12 | THR | 0 | -0.037 | 0.071 | 14.357 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | B | 13 | GLY | 0 | 0.043 | -0.087 | 16.504 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | B | 14 | ASN | 0 | 0.045 | 0.055 | 17.717 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | B | 14 | ASN | 0 | -0.071 | 0.069 | 15.847 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | B | 15 | PHE | 0 | 0.104 | -0.117 | 17.746 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | B | 15 | PHE | 0 | -0.027 | 0.130 | 17.632 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | B | 16 | VAL | 0 | 0.096 | -0.099 | 18.732 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | B | 16 | VAL | 0 | -0.057 | 0.111 | 21.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | B | 17 | GLN | 0 | 0.106 | -0.079 | 17.647 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | B | 17 | GLN | 0 | -0.077 | 0.097 | 15.744 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | B | 18 | CYS | 0 | 0.156 | -0.130 | 14.248 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | B | 18 | CYS | 0 | -0.190 | 0.107 | 14.299 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | B | 19 | LEU | 0 | 0.145 | -0.079 | 14.641 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | B | 19 | LEU | 0 | -0.093 | 0.105 | 18.914 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | B | 20 | GLN | 0 | 0.035 | -0.116 | 16.777 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | B | 20 | GLN | 0 | -0.088 | 0.086 | 17.788 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | B | 21 | GLU | 0 | 0.033 | -0.120 | 12.596 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | B | 21 | GLU | -1 | -0.848 | -0.762 | 11.586 | -0.897 | -0.897 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | B | 22 | ILE | 0 | 0.069 | -0.105 | 12.593 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | B | 22 | ILE | 0 | -0.068 | 0.109 | 12.859 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | B | 23 | GLU | 0 | 0.056 | -0.091 | 13.932 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | B | 23 | GLU | -1 | -0.900 | -0.802 | 18.115 | -0.261 | -0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | B | 24 | LYS | 0 | 0.079 | -0.094 | 13.906 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | B | 24 | LYS | 1 | 0.749 | 0.982 | 12.776 | 0.776 | 0.776 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | B | 25 | PHE | 0 | -0.037 | -0.104 | 12.438 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | B | 25 | PHE | 0 | -0.072 | 0.102 | 7.617 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | B | 26 | SER | 0 | 0.087 | -0.090 | 13.581 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | B | 26 | SER | 0 | -0.077 | 0.058 | 17.942 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | B | 27 | LYS | 0 | 0.021 | -0.049 | 17.354 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | B | 27 | LYS | 1 | 0.846 | 1.023 | 19.615 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | B | 28 | VAL | 0 | 0.073 | -0.126 | 13.940 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | B | 28 | VAL | 0 | -0.066 | 0.115 | 12.412 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | B | 29 | THR | 0 | 0.007 | -0.083 | 14.077 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | B | 29 | THR | 0 | -0.071 | 0.033 | 16.913 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | B | 30 | ASP | 0 | 0.104 | -0.080 | 11.582 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | B | 30 | ASP | -1 | -0.821 | -0.755 | 9.372 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | B | 31 | ASN | 0 | 0.039 | -0.087 | 12.762 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | B | 31 | ASN | 0 | -0.126 | 0.022 | 13.155 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | B | 32 | THR | 0 | 0.124 | -0.052 | 9.585 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | B | 32 | THR | 0 | -0.053 | 0.076 | 7.913 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | B | 33 | LEU | 0 | 0.060 | -0.109 | 11.107 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | B | 33 | LEU | 0 | -0.099 | 0.103 | 9.726 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | B | 34 | LEU | 0 | 0.087 | -0.092 | 12.210 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | B | 34 | LEU | 0 | -0.143 | 0.077 | 16.043 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | B | 35 | PHE | 0 | 0.110 | -0.087 | 14.723 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | B | 35 | PHE | 0 | -0.092 | 0.097 | 13.484 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | B | 36 | TYR | 0 | 0.086 | -0.092 | 12.911 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | B | 36 | TYR | 0 | -0.105 | 0.057 | 10.526 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | B | 37 | LYS | 0 | 0.095 | -0.073 | 14.314 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | B | 37 | LYS | 1 | 0.743 | 0.981 | 15.855 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | B | 38 | ALA | 0 | 0.084 | -0.101 | 16.677 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | B | 38 | ALA | 0 | -0.063 | 0.099 | 18.798 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | B | 39 | LYS | 0 | 0.075 | -0.126 | 17.865 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | B | 39 | LYS | 1 | 0.812 | 1.061 | 16.284 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | B | 40 | THR | 0 | 0.069 | -0.066 | 17.711 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | B | 40 | THR | 0 | -0.090 | 0.038 | 16.139 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | B | 41 | LEU | 0 | 0.040 | -0.092 | 18.740 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | B | 41 | LEU | 0 | -0.178 | 0.051 | 19.951 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | B | 42 | LEU | 0 | 0.155 | -0.054 | 21.920 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | B | 42 | LEU | 0 | -0.093 | 0.082 | 22.377 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | B | 43 | ALA | 0 | 0.037 | -0.096 | 21.346 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | B | 43 | ALA | 0 | -0.108 | 0.078 | 20.643 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | B | 44 | LEU | 0 | 0.021 | -0.126 | 22.717 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | B | 44 | LEU | 0 | -0.122 | 0.067 | 21.182 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | B | 45 | GLY | 0 | 0.037 | -0.087 | 24.708 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | B | 46 | GLN | 0 | 0.028 | 0.001 | 26.871 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | B | 46 | GLN | 0 | -0.142 | 0.047 | 28.017 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | B | 47 | TYR | 0 | 0.147 | -0.079 | 24.976 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | B | 47 | TYR | 0 | -0.110 | 0.075 | 22.340 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | B | 48 | GLN | 0 | 0.005 | -0.132 | 24.612 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | B | 48 | GLN | 0 | -0.123 | 0.096 | 24.790 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | B | 49 | SER | 0 | 0.125 | -0.068 | 24.130 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | B | 49 | SER | 0 | -0.073 | 0.081 | 27.116 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | B | 50 | GLN | 0 | 0.067 | -0.089 | 22.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | B | 50 | GLN | 0 | -0.084 | 0.075 | 18.691 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | B | 51 | ASP | 0 | 0.037 | -0.093 | 23.762 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | B | 51 | ASP | -1 | -0.871 | -0.800 | 21.892 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | B | 52 | PRO | 0 | 0.072 | -0.049 | 24.425 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | B | 53 | THR | 0 | -0.031 | 0.000 | 25.626 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | B | 53 | THR | 0 | -0.069 | 0.034 | 25.474 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | B | 54 | SER | 0 | 0.068 | -0.087 | 21.690 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | B | 54 | SER | 0 | -0.040 | 0.060 | 20.898 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | B | 55 | LYS | 0 | -0.052 | -0.084 | 22.976 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | B | 55 | LYS | 1 | 0.904 | 1.056 | 22.943 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | B | 56 | LEU | 0 | 0.144 | -0.104 | 19.529 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | B | 56 | LEU | 0 | -0.062 | 0.128 | 16.415 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | B | 57 | GLY | 0 | 0.055 | -0.086 | 20.999 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | B | 58 | LYS | 0 | 0.164 | 0.048 | 22.020 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | B | 58 | LYS | 1 | 0.778 | 1.018 | 25.929 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | B | 59 | VAL | 0 | 0.036 | -0.124 | 23.762 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | B | 59 | VAL | 0 | -0.067 | 0.121 | 22.708 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | B | 60 | LEU | 0 | 0.111 | -0.076 | 22.123 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | B | 60 | LEU | 0 | -0.070 | 0.100 | 18.725 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | B | 61 | ASP | 0 | 0.104 | -0.082 | 23.278 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | B | 61 | ASP | -1 | -0.923 | -0.821 | 25.789 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | B | 62 | LEU | 0 | 0.030 | -0.097 | 26.669 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | B | 62 | LEU | 0 | -0.090 | 0.084 | 27.538 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | B | 63 | TYR | 0 | 0.131 | -0.050 | 25.287 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | B | 63 | TYR | 0 | -0.106 | 0.074 | 23.567 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | B | 64 | VAL | 0 | 0.127 | -0.097 | 26.652 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | B | 64 | VAL | 0 | -0.106 | 0.094 | 25.281 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | B | 65 | GLN | 0 | 0.140 | -0.068 | 27.862 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | B | 65 | GLN | 0 | -0.179 | 0.042 | 31.282 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | B | 66 | PHE | 0 | 0.047 | -0.093 | 30.198 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | B | 66 | PHE | 0 | -0.108 | 0.078 | 28.947 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | B | 67 | LEU | 0 | 0.068 | -0.078 | 29.208 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | B | 67 | LEU | 0 | -0.111 | 0.077 | 26.446 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | B | 68 | ASP | 0 | 0.053 | -0.085 | 30.469 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | B | 68 | ASP | -1 | -1.016 | -0.879 | 32.601 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | B | 69 | THR | 0 | -0.072 | -0.110 | 33.678 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | B | 69 | THR | 0 | -0.105 | 0.031 | 34.290 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | B | 70 | LYS | 0 | 0.124 | -0.049 | 34.644 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | B | 70 | LYS | 1 | 0.813 | 1.005 | 35.672 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | B | 71 | ASN | 0 | 0.117 | -0.059 | 35.236 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | B | 71 | ASN | 0 | -0.142 | 0.046 | 34.908 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | B | 72 | ILE | 0 | 0.095 | -0.103 | 32.292 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | B | 72 | ILE | 0 | -0.017 | 0.130 | 30.912 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | B | 73 | GLU | 0 | 0.017 | -0.120 | 32.536 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | B | 73 | GLU | -1 | -0.923 | -0.819 | 36.398 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | B | 74 | GLU | 0 | 0.102 | -0.136 | 33.566 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | B | 74 | GLU | -1 | -0.952 | -0.845 | 33.162 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | B | 75 | LEU | 0 | 0.076 | -0.087 | 29.442 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | B | 75 | LEU | 0 | -0.078 | 0.107 | 26.270 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | B | 76 | GLU | 0 | 0.108 | -0.093 | 29.044 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | B | 76 | GLU | -1 | -0.860 | -0.779 | 30.377 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | B | 77 | ASN | 0 | 0.081 | -0.075 | 30.736 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | B | 77 | ASN | 0 | -0.125 | 0.052 | 34.334 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | B | 78 | LEU | 0 | -0.007 | -0.107 | 30.760 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | B | 78 | LEU | 0 | -0.098 | 0.085 | 30.217 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | B | 79 | LEU | 0 | -0.037 | -0.205 | 27.401 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | B | 79 | LEU | 0 | -0.052 | 0.130 | 24.677 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | B | 80 | LYS | 0 | 0.156 | -0.028 | 27.751 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | B | 80 | LYS | 1 | 0.770 | 0.990 | 27.744 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | B | 81 | ASP | 0 | 0.060 | -0.092 | 29.967 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | B | 81 | ASP | -1 | -1.001 | -0.865 | 33.201 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | B | 82 | LYS | 0 | 0.011 | -0.126 | 28.701 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | B | 82 | LYS | 1 | 0.753 | 1.014 | 25.624 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | B | 83 | GLN | 0 | 0.152 | -0.051 | 25.177 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | B | 83 | GLN | 0 | -0.096 | 0.075 | 24.166 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | B | 84 | ASN | 0 | -0.043 | -0.145 | 22.408 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | B | 84 | ASN | 0 | -0.107 | 0.039 | 22.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | B | 85 | SER | 0 | 0.096 | -0.048 | 17.972 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | B | 85 | SER | 0 | -0.048 | 0.074 | 16.012 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | B | 86 | PRO | 0 | 0.057 | -0.058 | 15.101 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | B | 87 | TYR | 0 | 0.070 | -0.012 | 16.279 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | B | 87 | TYR | 0 | -0.109 | 0.056 | 10.188 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | B | 88 | GLU | 0 | 0.035 | -0.110 | 17.187 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | B | 88 | GLU | -1 | -0.866 | -0.834 | 20.389 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | B | 89 | LEU | 0 | 0.079 | -0.101 | 20.726 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | B | 89 | LEU | 0 | -0.055 | 0.146 | 20.799 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | B | 90 | TYR | 0 | 0.167 | -0.062 | 18.933 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | B | 90 | TYR | 0 | -0.082 | 0.093 | 17.547 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | B | 91 | LEU | 0 | 0.041 | -0.083 | 20.368 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | B | 91 | LEU | 0 | -0.074 | 0.087 | 20.233 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | B | 92 | LEU | 0 | 0.108 | -0.084 | 22.649 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | B | 92 | LEU | 0 | -0.119 | 0.089 | 25.064 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | B | 93 | ALA | 0 | 0.141 | -0.100 | 24.259 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | B | 93 | ALA | 0 | -0.038 | 0.124 | 23.381 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | B | 94 | THR | 0 | 0.037 | -0.070 | 23.976 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | B | 94 | THR | 0 | -0.099 | 0.028 | 22.413 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | B | 95 | ALA | 0 | 0.102 | -0.077 | 25.044 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | B | 95 | ALA | 0 | -0.076 | 0.089 | 27.616 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | B | 96 | GLN | 0 | 0.063 | -0.118 | 28.181 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | B | 96 | GLN | 0 | -0.111 | 0.075 | 28.635 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | B | 97 | ALA | 0 | 0.128 | -0.083 | 27.896 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | B | 97 | ALA | 0 | -0.058 | 0.103 | 27.240 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | B | 98 | ILE | 0 | -0.005 | -0.098 | 29.128 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | B | 98 | ILE | 0 | -0.092 | 0.085 | 27.012 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | B | 99 | LEU | 0 | -0.019 | -0.152 | 30.579 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | B | 99 | LEU | 0 | -0.092 | 0.104 | 32.801 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | B | 100 | GLY | 0 | -0.030 | -0.111 | 32.556 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | B | 101 | ASP | 0 | 0.110 | 0.016 | 33.153 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | B | 101 | ASP | -1 | -1.013 | -0.856 | 32.556 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | B | 102 | LEU | 0 | 0.084 | -0.135 | 30.223 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | B | 102 | LEU | 0 | -0.094 | 0.114 | 29.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | B | 103 | ASP | 0 | 0.125 | -0.080 | 29.778 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | B | 103 | ASP | -1 | -0.979 | -0.842 | 33.389 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | B | 104 | LYS | 0 | 0.129 | -0.098 | 30.401 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | B | 104 | LYS | 1 | 0.749 | 1.021 | 30.762 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | B | 105 | SER | 0 | 0.079 | -0.053 | 27.587 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | B | 105 | SER | 0 | -0.088 | 0.038 | 26.752 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | B | 106 | LEU | 0 | 0.098 | -0.080 | 25.922 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | B | 106 | LEU | 0 | -0.107 | 0.098 | 25.407 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | B | 107 | GLU | 0 | 0.095 | -0.104 | 25.719 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | B | 107 | GLU | -1 | -1.040 | -0.874 | 28.942 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | B | 108 | THR | 0 | 0.040 | -0.094 | 25.904 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | B | 108 | THR | 0 | -0.125 | 0.034 | 24.586 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | B | 109 | CYS | 0 | 0.131 | -0.091 | 22.037 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | B | 109 | CYS | 0 | -0.174 | 0.069 | 21.796 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | B | 110 | VAL | 0 | 0.046 | -0.090 | 21.442 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | B | 110 | VAL | 0 | -0.113 | 0.092 | 24.145 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | B | 111 | GLU | 0 | 0.137 | -0.092 | 22.567 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | B | 111 | GLU | -1 | -0.912 | -0.784 | 24.366 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | B | 112 | GLY | 0 | 0.007 | -0.127 | 20.327 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | B | 113 | ILE | 0 | 0.069 | 0.010 | 18.014 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | B | 113 | ILE | 0 | -0.110 | 0.083 | 18.131 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | B | 114 | ASP | 0 | 0.068 | -0.106 | 18.420 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | B | 114 | ASP | -1 | -1.003 | -0.855 | 22.699 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | B | 115 | ASN | 0 | -0.004 | -0.096 | 18.761 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | B | 115 | ASN | 0 | -0.179 | 0.018 | 18.047 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | B | 116 | ASP | 0 | 0.109 | -0.107 | 16.499 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | B | 116 | ASP | -1 | -1.033 | -0.853 | 16.793 | 0.531 | 0.531 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | B | 117 | GLU | 0 | 0.072 | -0.128 | 12.270 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | B | 117 | GLU | -1 | -0.877 | -0.754 | 11.202 | 1.425 | 1.425 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | B | 118 | ALA | 0 | 0.070 | -0.105 | 11.790 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | B | 118 | ALA | 0 | -0.083 | 0.104 | 15.678 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | B | 119 | GLU | 0 | -0.006 | -0.167 | 10.521 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | B | 119 | GLU | -1 | -0.846 | -0.742 | 9.608 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | B | 120 | GLY | 0 | 0.080 | -0.089 | 11.185 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | B | 121 | THR | 0 | 0.060 | -0.012 | 12.592 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | B | 121 | THR | 0 | -0.037 | 0.124 | 13.414 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | B | 122 | THR | 0 | 0.019 | -0.071 | 11.871 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | B | 122 | THR | 0 | 0.008 | 0.077 | 11.177 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | B | 123 | GLU | 0 | 0.054 | -0.104 | 12.459 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | B | 123 | GLU | -1 | -0.841 | -0.781 | 9.963 | 0.807 | 0.807 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | B | 124 | LEU | 0 | 0.048 | -0.128 | 13.983 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | B | 124 | LEU | 0 | -0.106 | 0.130 | 16.791 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | B | 125 | LEU | 0 | 0.152 | -0.078 | 16.175 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | B | 125 | LEU | 0 | -0.113 | 0.106 | 15.674 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | B | 126 | LEU | 0 | 0.130 | -0.083 | 16.158 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | B | 126 | LEU | 0 | -0.135 | 0.091 | 14.950 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | B | 127 | LEU | 0 | 0.101 | -0.108 | 17.432 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | B | 127 | LEU | 0 | -0.112 | 0.096 | 19.435 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | B | 128 | ALA | 0 | 0.112 | -0.105 | 20.208 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | B | 128 | ALA | 0 | -0.063 | 0.106 | 21.083 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | B | 129 | ILE | 0 | -0.008 | -0.088 | 20.843 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | B | 129 | ILE | 0 | -0.132 | 0.086 | 20.220 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | B | 130 | GLU | 0 | 0.119 | -0.102 | 21.536 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | B | 130 | GLU | -1 | -0.930 | -0.827 | 20.190 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | B | 131 | VAL | 0 | 0.058 | -0.133 | 23.246 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | B | 131 | VAL | 0 | -0.084 | 0.132 | 24.299 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | B | 132 | ALA | 0 | 0.203 | -0.074 | 25.359 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | B | 132 | ALA | 0 | -0.117 | 0.087 | 25.613 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | B | 133 | LEU | 0 | -0.005 | -0.126 | 26.062 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | B | 133 | LEU | 0 | -0.083 | 0.094 | 24.029 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | B | 134 | LEU | 0 | 0.038 | -0.109 | 27.433 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | B | 134 | LEU | 0 | -0.082 | 0.087 | 26.778 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | B | 135 | ASN | 0 | 0.039 | -0.090 | 29.371 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | B | 135 | ASN | 0 | -0.124 | 0.055 | 30.541 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | B | 136 | ASN | 0 | 0.016 | -0.112 | 30.957 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | B | 136 | ASN | 0 | -0.112 | 0.081 | 31.988 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | B | 137 | ASN | 0 | 0.029 | -0.096 | 30.659 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | B | 137 | ASN | 0 | -0.037 | 0.107 | 29.593 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | B | 138 | VAL | 0 | 0.171 | -0.093 | 28.476 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | B | 138 | VAL | 0 | -0.057 | 0.110 | 28.273 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | B | 139 | SER | 0 | 0.058 | -0.049 | 28.143 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | B | 139 | SER | 0 | -0.050 | 0.051 | 31.693 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | B | 140 | THR | 0 | 0.032 | -0.055 | 28.503 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | B | 140 | THR | 0 | 0.018 | 0.079 | 27.492 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | B | 141 | ALA | 0 | 0.138 | -0.065 | 24.888 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | B | 141 | ALA | 0 | -0.076 | 0.101 | 24.753 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | B | 142 | SER | 0 | -0.009 | -0.077 | 23.612 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | B | 142 | SER | 0 | -0.106 | 0.026 | 26.028 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | B | 143 | THR | 0 | 0.128 | -0.033 | 23.928 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | B | 143 | THR | 0 | -0.110 | 0.016 | 26.973 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | B | 144 | ILE | 0 | 0.062 | -0.073 | 23.394 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | B | 144 | ILE | 0 | -0.075 | 0.102 | 21.394 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | B | 145 | PHE | 0 | 0.155 | -0.051 | 19.712 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | B | 145 | PHE | 0 | -0.100 | 0.063 | 16.977 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | B | 146 | ASP | 0 | 0.066 | -0.094 | 19.660 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | B | 146 | ASP | -1 | -0.986 | -0.864 | 23.191 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | B | 147 | ASN | 0 | 0.091 | -0.044 | 21.496 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | B | 147 | ASN | 0 | -0.161 | 0.004 | 23.466 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | B | 148 | TYR | 0 | 0.162 | -0.057 | 18.313 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | B | 148 | TYR | 0 | -0.128 | 0.043 | 12.709 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | B | 149 | THR | 0 | 0.019 | -0.075 | 16.526 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | B | 149 | THR | 0 | -0.080 | 0.021 | 16.344 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | B | 150 | ASN | 0 | 0.014 | -0.055 | 17.471 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | B | 150 | ASN | 0 | -0.198 | -0.012 | 21.693 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | B | 151 | ALA | 0 | 0.127 | -0.068 | 19.215 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | B | 151 | ALA | 0 | -0.088 | 0.077 | 19.131 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | B | 152 | ILE | 0 | 0.027 | -0.093 | 14.715 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | B | 152 | ILE | 0 | -0.133 | 0.092 | 12.816 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | B | 153 | GLU | 0 | 0.151 | -0.107 | 14.313 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | B | 153 | GLU | -1 | -1.031 | -0.866 | 17.592 | 0.442 | 0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | B | 154 | ASP | 0 | -0.029 | -0.152 | 13.647 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | B | 154 | ASP | -1 | -0.924 | -0.839 | 12.989 | 0.871 | 0.871 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | B | 155 | THR | 0 | -0.047 | -0.082 | 11.237 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | B | 155 | THR | 0 | -0.064 | 0.043 | 9.495 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | B | 156 | VAL | 0 | 0.049 | -0.147 | 8.419 | 0.510 | 0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | B | 156 | VAL | 0 | -0.048 | 0.152 | 8.595 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | B | 157 | SER | 0 | -0.021 | -0.142 | 7.375 | 0.893 | 0.893 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | B | 157 | SER | 0 | -0.045 | 0.077 | 9.022 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | B | 158 | GLY | 0 | 0.011 | -0.108 | 4.297 | -0.758 | -0.667 | -0.001 | -0.034 | -0.056 | 0.000 |
| 308 | B | 159 | ASP | 0 | 0.075 | 0.010 | 2.802 | -0.539 | 0.673 | 0.527 | -0.635 | -1.104 | -0.011 |
| 309 | B | 159 | ASP | -1 | -0.913 | -0.840 | 2.406 | 1.476 | 1.769 | 0.695 | -0.689 | -0.299 | 0.002 |
| 310 | B | 160 | ASN | 0 | 0.056 | -0.080 | 4.127 | -1.016 | -0.992 | 0.002 | -0.049 | 0.023 | 0.000 |
| 311 | B | 160 | ASN | 0 | -0.064 | 0.076 | 6.905 | -0.331 | -0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | B | 161 | GLU | 0 | 0.173 | -0.074 | 7.357 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | B | 161 | GLU | -1 | -0.951 | -0.801 | 8.303 | 0.781 | 0.781 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | B | 162 | MET | 0 | 0.084 | -0.084 | 8.871 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | B | 162 | MET | 0 | -0.097 | 0.111 | 6.238 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | B | 163 | ILE | 0 | 0.030 | -0.125 | 10.105 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | B | 163 | ILE | 0 | -0.106 | 0.102 | 8.787 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | B | 164 | LEU | 0 | 0.158 | -0.097 | 11.612 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | B | 164 | LEU | 0 | -0.096 | 0.130 | 12.344 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | B | 165 | ASN | 0 | 0.078 | -0.105 | 13.191 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | B | 165 | ASN | 0 | -0.094 | 0.073 | 13.194 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | B | 166 | LEU | 0 | 0.075 | -0.084 | 14.581 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | B | 166 | LEU | 0 | -0.079 | 0.106 | 15.318 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | B | 167 | ALA | 0 | 0.113 | -0.108 | 16.157 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | B | 167 | ALA | 0 | -0.064 | 0.110 | 16.985 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | B | 168 | GLU | 0 | 0.086 | -0.127 | 17.537 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | B | 168 | GLU | -1 | -0.924 | -0.798 | 17.785 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | B | 169 | SER | 0 | 0.020 | -0.085 | 18.864 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | B | 169 | SER | 0 | -0.031 | 0.085 | 19.310 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | B | 170 | TYR | 0 | 0.043 | -0.124 | 20.584 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | B | 170 | TYR | 0 | -0.114 | 0.068 | 19.398 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | B | 171 | ILE | 0 | 0.145 | -0.075 | 22.166 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | B | 171 | ILE | 0 | -0.094 | 0.106 | 21.228 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | B | 172 | LYS | 0 | 0.010 | -0.108 | 23.249 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | B | 172 | LYS | 1 | 0.767 | 1.007 | 21.324 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | B | 173 | PHE | 0 | 0.119 | -0.066 | 24.713 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | B | 173 | PHE | 0 | -0.105 | 0.083 | 25.221 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | B | 174 | ALA | 0 | 0.089 | -0.110 | 26.532 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | B | 174 | ALA | 0 | -0.069 | 0.125 | 27.307 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | B | 175 | THR | 0 | -0.089 | -0.110 | 27.850 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | B | 175 | THR | 0 | -0.088 | 0.003 | 27.363 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | B | 176 | ASN | 0 | 0.098 | -0.030 | 29.426 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | B | 176 | ASN | 0 | -0.102 | 0.062 | 31.673 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | B | 177 | LYS | 0 | 0.100 | -0.072 | 28.855 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | B | 177 | LYS | 1 | 0.827 | 1.034 | 25.490 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | B | 178 | GLU | 0 | 0.017 | -0.123 | 26.595 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | B | 178 | GLU | -1 | -0.887 | -0.829 | 24.679 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | B | 179 | THR | 0 | 0.042 | -0.069 | 27.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | B | 179 | THR | 0 | -0.037 | 0.070 | 29.714 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | B | 180 | ALA | 0 | 0.205 | -0.084 | 27.999 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | B | 180 | ALA | 0 | -0.107 | 0.092 | 31.640 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | B | 181 | THR | 0 | -0.065 | -0.039 | 27.794 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | B | 181 | THR | 0 | -0.110 | -0.012 | 27.224 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | B | 182 | SER | 0 | 0.125 | -0.064 | 23.429 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | B | 182 | SER | 0 | -0.007 | 0.078 | 21.558 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | B | 183 | ASN | 0 | 0.095 | -0.064 | 22.569 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | B | 183 | ASN | 0 | -0.105 | 0.084 | 22.739 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | B | 184 | PHE | 0 | 0.153 | -0.068 | 23.424 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | B | 184 | PHE | 0 | -0.078 | 0.094 | 27.049 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | B | 185 | TYR | 0 | 0.053 | -0.101 | 23.627 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | B | 185 | TYR | 0 | -0.125 | 0.065 | 22.969 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | B | 186 | TYR | 0 | 0.131 | -0.051 | 19.585 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | B | 186 | TYR | 0 | -0.072 | 0.096 | 15.424 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | B | 187 | TYR | 0 | 0.088 | -0.095 | 19.724 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | B | 187 | TYR | 0 | -0.103 | 0.075 | 21.017 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | B | 188 | GLU | 0 | 0.119 | -0.066 | 22.004 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | B | 188 | GLU | -1 | -1.005 | -0.862 | 23.857 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | B | 189 | GLU | 0 | 0.144 | -0.093 | 19.379 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | B | 189 | GLU | -1 | -1.024 | -0.852 | 16.858 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | B | 190 | LEU | 0 | 0.051 | -0.109 | 17.666 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | B | 190 | LEU | 0 | -0.072 | 0.105 | 15.023 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | B | 191 | SER | 0 | 0.039 | -0.077 | 18.580 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | B | 191 | SER | 0 | -0.032 | 0.052 | 23.065 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | B | 192 | GLN | 0 | -0.026 | -0.134 | 21.863 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | B | 192 | GLN | 0 | -0.139 | 0.066 | 22.136 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | B | 193 | THR | 0 | 0.001 | -0.089 | 17.725 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | B | 193 | THR | 0 | -0.080 | 0.033 | 15.867 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | B | 194 | PHE | 0 | -0.047 | -0.110 | 17.644 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | B | 194 | PHE | 0 | -0.067 | 0.103 | 13.005 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | B | 195 | PRO | 0 | 0.114 | -0.038 | 18.865 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | B | 196 | THR | 0 | 0.026 | 0.023 | 21.453 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | B | 196 | THR | 0 | -0.037 | 0.056 | 19.840 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | B | 197 | TRP | 0 | 0.127 | -0.074 | 22.732 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | B | 197 | TRP | 0 | -0.121 | 0.089 | 24.982 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | B | 198 | LYS | 0 | 0.099 | -0.082 | 21.125 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | B | 198 | LYS | 1 | 0.857 | 1.067 | 18.163 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | B | 199 | THR | 0 | -0.021 | -0.103 | 20.810 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | B | 199 | THR | 0 | -0.067 | 0.053 | 18.785 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | B | 200 | GLN | 0 | 0.188 | -0.060 | 21.678 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | B | 200 | GLN | 0 | -0.094 | 0.098 | 25.222 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | B | 201 | LEU | 0 | -0.006 | -0.152 | 25.332 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | B | 201 | LEU | 0 | -0.072 | 0.124 | 25.743 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | B | 202 | GLY | 0 | 0.056 | -0.067 | 23.652 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | B | 203 | LEU | 0 | 0.155 | 0.002 | 24.720 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | B | 203 | LEU | 0 | -0.075 | 0.126 | 25.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | B | 204 | LEU | 0 | 0.060 | -0.102 | 26.365 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | B | 204 | LEU | 0 | -0.127 | 0.092 | 29.383 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | B | 205 | ASN | 0 | 0.119 | -0.074 | 28.411 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | B | 205 | ASN | 0 | -0.158 | 0.033 | 27.560 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | B | 206 | LEU | 0 | 0.044 | -0.110 | 27.569 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | B | 206 | LEU | 0 | -0.101 | 0.115 | 25.351 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | B | 207 | HIS | 0 | 0.109 | -0.088 | 28.806 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | B | 207 | HIS | 0 | -0.078 | 0.087 | 29.840 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | B | 208 | LEU | 0 | 0.064 | -0.108 | 31.834 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | B | 208 | LEU | 0 | -0.088 | 0.105 | 32.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | B | 209 | GLN | 0 | 0.061 | -0.104 | 31.607 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | B | 209 | GLN | 0 | -0.027 | 0.114 | 29.292 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | B | 210 | GLN | 0 | 0.054 | -0.110 | 32.498 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | B | 210 | GLN | 0 | -0.106 | 0.097 | 31.846 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | B | 211 | ARG | 0 | 0.036 | -0.069 | 33.987 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | B | 211 | ARG | 1 | 0.780 | 0.986 | 36.777 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | B | 212 | ASN | 0 | 0.129 | -0.051 | 35.313 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | B | 212 | ASN | 0 | -0.124 | 0.064 | 34.386 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | B | 213 | ILE | 0 | 0.108 | -0.115 | 35.913 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | B | 213 | ILE | 0 | -0.068 | 0.102 | 38.659 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | B | 214 | ALA | 0 | 0.105 | -0.072 | 38.296 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | B | 214 | ALA | 0 | -0.116 | 0.083 | 38.893 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | B | 215 | GLU | 0 | 0.046 | -0.136 | 34.274 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | B | 215 | GLU | -1 | -0.874 | -0.786 | 33.284 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | B | 216 | ALA | 0 | 0.151 | -0.085 | 33.414 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | B | 216 | ALA | 0 | -0.087 | 0.101 | 34.518 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | B | 217 | GLN | 0 | 0.037 | -0.108 | 34.488 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | B | 217 | GLN | 0 | -0.135 | 0.061 | 38.757 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | B | 218 | GLY | 0 | 0.007 | -0.107 | 35.580 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | B | 219 | ILE | 0 | 0.064 | -0.002 | 31.345 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | B | 219 | ILE | 0 | -0.086 | 0.105 | 29.377 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | B | 220 | VAL | 0 | 0.123 | -0.079 | 32.225 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | B | 220 | VAL | 0 | -0.085 | 0.092 | 34.243 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | B | 221 | GLU | 0 | 0.100 | -0.136 | 34.452 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | B | 221 | GLU | -1 | -0.980 | -0.807 | 37.034 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | B | 222 | LEU | 0 | 0.086 | -0.115 | 32.284 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | B | 222 | LEU | 0 | -0.152 | 0.087 | 30.005 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | B | 223 | LEU | 0 | 0.064 | -0.123 | 31.146 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | B | 223 | LEU | 0 | -0.095 | 0.101 | 28.156 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | B | 224 | LEU | 0 | 0.063 | -0.104 | 31.996 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | B | 224 | LEU | 0 | -0.092 | 0.088 | 36.186 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | B | 225 | SER | 0 | 0.066 | -0.038 | 34.713 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | B | 225 | SER | 0 | -0.051 | 0.058 | 33.745 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | B | 226 | ASP | 0 | 0.076 | -0.064 | 33.578 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | B | 226 | ASP | -1 | -0.980 | -0.862 | 35.534 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | B | 227 | TYR | 0 | 0.110 | -0.085 | 30.951 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | B | 227 | TYR | 0 | -0.086 | 0.079 | 24.855 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | B | 228 | TYR | 0 | -0.015 | -0.125 | 29.293 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | B | 228 | TYR | 0 | -0.111 | 0.069 | 25.255 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | B | 229 | SER | 0 | 0.110 | -0.068 | 30.298 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | B | 229 | SER | 0 | -0.056 | 0.058 | 34.447 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | B | 230 | VAL | 0 | -0.034 | -0.135 | 33.244 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | B | 230 | VAL | 0 | -0.103 | 0.095 | 34.999 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | B | 231 | GLU | 0 | 0.110 | -0.117 | 30.855 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | B | 231 | GLU | -1 | -1.011 | -0.858 | 30.028 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | B | 232 | GLN | 0 | -0.010 | -0.115 | 27.684 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | B | 232 | GLN | 0 | -0.084 | 0.082 | 25.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | B | 233 | LYS | 0 | 0.102 | -0.073 | 28.014 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | B | 233 | LYS | 1 | 0.852 | 1.029 | 31.184 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | B | 234 | GLU | 0 | 0.157 | -0.030 | 26.858 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | B | 234 | GLU | -1 | -0.984 | -0.863 | 25.915 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | B | 235 | ASN | 0 | 0.164 | -0.033 | 23.912 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | B | 235 | ASN | 0 | -0.147 | 0.043 | 23.083 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | B | 236 | ALA | 0 | 0.103 | -0.132 | 25.392 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | B | 236 | ALA | 0 | -0.065 | 0.107 | 28.768 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | B | 237 | VAL | 0 | 0.061 | -0.113 | 28.634 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | B | 237 | VAL | 0 | -0.077 | 0.112 | 30.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | B | 238 | LEU | 0 | 0.079 | -0.115 | 26.821 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | B | 238 | LEU | 0 | -0.078 | 0.122 | 23.731 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | B | 239 | TYR | 0 | -0.014 | -0.117 | 27.644 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | B | 239 | TYR | 0 | -0.063 | 0.102 | 21.830 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | B | 240 | LYS | 0 | 0.127 | -0.073 | 28.628 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | B | 240 | LYS | 1 | 0.748 | 0.990 | 33.027 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | B | 241 | PRO | 0 | 0.023 | -0.106 | 31.346 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | B | 242 | THR | 0 | 0.086 | 0.029 | 29.903 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | B | 242 | THR | 0 | -0.013 | 0.083 | 28.394 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | B | 243 | PHE | 0 | 0.110 | -0.067 | 31.361 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | B | 243 | PHE | 0 | -0.108 | 0.100 | 30.981 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | B | 244 | LEU | 0 | 0.068 | -0.099 | 32.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | B | 244 | LEU | 0 | -0.093 | 0.096 | 35.946 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | B | 245 | ALA | 0 | 0.156 | -0.071 | 34.755 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | B | 245 | ALA | 0 | -0.079 | 0.096 | 33.701 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | B | 246 | ASN | 0 | 0.038 | -0.106 | 33.006 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | B | 246 | ASN | 0 | -0.104 | 0.080 | 30.880 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | B | 247 | GLN | 0 | 0.141 | -0.077 | 34.364 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | B | 247 | GLN | 0 | -0.064 | 0.088 | 35.642 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | B | 248 | ILE | 0 | 0.061 | -0.080 | 37.237 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | B | 248 | ILE | 0 | -0.087 | 0.105 | 38.690 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | B | 249 | THR | 0 | -0.019 | -0.085 | 37.102 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | B | 249 | THR | 0 | -0.059 | 0.036 | 35.963 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | B | 250 | LEU | 0 | 0.147 | -0.088 | 37.698 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | B | 250 | LEU | 0 | -0.119 | 0.107 | 36.075 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | B | 251 | ALA | 0 | 0.106 | -0.105 | 38.754 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | B | 251 | ALA | 0 | -0.074 | 0.108 | 41.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | B | 252 | LEU | 0 | 0.066 | -0.105 | 41.853 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | B | 252 | LEU | 0 | -0.082 | 0.098 | 41.559 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | B | 253 | MET | 0 | 0.005 | -0.106 | 40.740 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | B | 253 | MET | 0 | -0.116 | 0.079 | 37.254 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | B | 254 | GLN | 0 | 0.013 | -0.104 | 42.191 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | B | 254 | GLN | 0 | -0.124 | 0.060 | 42.203 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | B | 255 | GLY | 0 | -0.030 | -0.132 | 44.690 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | B | 256 | LEU | 0 | 0.061 | -0.010 | 46.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | B | 256 | LEU | 0 | -0.106 | 0.092 | 44.673 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | B | 257 | ASP | 0 | 0.098 | -0.107 | 46.954 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | B | 257 | ASP | -1 | -0.966 | -0.848 | 50.057 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | B | 258 | THR | 0 | -0.088 | -0.073 | 45.339 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | B | 258 | THR | 0 | -0.005 | 0.053 | 44.373 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | B | 259 | GLU | 0 | 0.190 | -0.063 | 43.779 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | B | 259 | GLU | -1 | -0.887 | -0.784 | 43.674 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | B | 260 | ASP | 0 | 0.069 | -0.080 | 44.235 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | B | 260 | ASP | -1 | -0.941 | -0.827 | 48.328 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | B | 261 | LEU | 0 | 0.087 | -0.127 | 45.513 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | B | 261 | LEU | 0 | -0.120 | 0.095 | 45.231 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | B | 262 | THR | 0 | -0.014 | -0.119 | 41.612 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | B | 262 | THR | 0 | -0.063 | 0.047 | 39.580 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | B | 263 | ASN | 0 | 0.102 | -0.057 | 41.017 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | B | 263 | ASN | 0 | -0.121 | 0.042 | 42.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | B | 264 | GLN | 0 | 0.134 | -0.088 | 41.925 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | B | 264 | GLN | 0 | -0.103 | 0.085 | 45.312 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | B | 265 | LEU | 0 | 0.023 | -0.115 | 40.997 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | B | 265 | LEU | 0 | -0.078 | 0.104 | 39.777 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | B | 266 | VAL | 0 | 0.114 | -0.090 | 37.981 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | B | 266 | VAL | 0 | -0.105 | 0.084 | 36.128 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | B | 267 | LYS | 0 | 0.080 | -0.084 | 38.933 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | B | 267 | LYS | 1 | 0.787 | 1.007 | 42.549 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | B | 268 | LEU | 0 | -0.037 | -0.117 | 41.679 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | B | 268 | LEU | 0 | -0.107 | 0.074 | 43.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | B | 269 | ASP | 0 | 0.081 | -0.105 | 38.688 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | B | 269 | ASP | -1 | -0.949 | -0.817 | 36.331 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | B | 270 | HIS | 0 | 0.107 | -0.070 | 35.753 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | B | 270 | HIS | 0 | -0.034 | 0.091 | 31.560 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | B | 271 | GLU | 0 | 0.025 | -0.123 | 36.547 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | B | 271 | GLU | -1 | -0.907 | -0.819 | 36.808 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | B | 272 | HIS | 0 | 0.064 | -0.064 | 33.417 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | B | 272 | HIS | 0 | -0.073 | 0.077 | 31.970 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | B | 273 | ALA | 0 | 0.164 | -0.080 | 33.214 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | B | 273 | ALA | 0 | -0.054 | 0.118 | 32.501 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | B | 274 | PHE | 0 | 0.083 | -0.065 | 34.498 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | B | 274 | PHE | 0 | -0.032 | 0.083 | 35.623 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | B | 275 | ILE | 0 | 0.077 | -0.110 | 36.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | B | 275 | ILE | 0 | -0.087 | 0.127 | 38.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | B | 276 | LYS | 0 | 0.088 | -0.116 | 37.752 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | B | 276 | LYS | 1 | 0.823 | 1.066 | 36.990 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | B | 277 | HIS | 0 | 0.117 | -0.102 | 38.515 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | B | 277 | HIS | 0 | -0.127 | 0.077 | 36.411 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | B | 278 | HIS | 0 | 0.138 | -0.072 | 40.229 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | B | 278 | HIS | 0 | -0.099 | 0.082 | 41.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | B | 279 | GLN | 0 | 0.057 | -0.113 | 42.501 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | B | 279 | GLN | 0 | -0.091 | 0.087 | 42.905 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | B | 280 | GLU | 0 | 0.111 | -0.092 | 43.062 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | B | 280 | GLU | -1 | -0.928 | -0.779 | 41.070 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | B | 281 | ILE | 0 | 0.027 | -0.105 | 44.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | B | 281 | ILE | 0 | -0.079 | 0.099 | 44.182 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | B | 282 | ASP | 0 | 0.096 | -0.103 | 45.928 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | B | 282 | ASP | -1 | -0.988 | -0.847 | 47.442 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | B | 283 | ALA | 0 | 0.116 | -0.110 | 47.974 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | B | 283 | ALA | 0 | -0.096 | 0.108 | 48.010 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | B | 284 | LYS | 0 | 0.070 | -0.105 | 48.423 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | B | 284 | LYS | 1 | 0.769 | 1.003 | 44.149 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | B | 285 | PHE | 0 | 0.089 | -0.071 | 49.864 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | B | 285 | PHE | 0 | -0.092 | 0.087 | 50.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | B | 286 | ASP | 0 | 0.088 | -0.097 | 52.047 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | B | 286 | ASP | -1 | -0.877 | -0.774 | 53.383 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | B | 287 | GLU | 0 | 0.104 | -0.123 | 53.156 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | B | 287 | GLU | -1 | -0.963 | -0.812 | 51.613 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | B | 288 | LEU | 0 | 0.005 | -0.127 | 54.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | B | 288 | LEU | 0 | -0.074 | 0.096 | 52.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | B | 289 | VAL | 0 | 0.090 | -0.091 | 55.998 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | B | 289 | VAL | 0 | -0.090 | 0.099 | 56.469 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | B | 290 | ARG | 0 | 0.028 | -0.137 | 57.938 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | B | 290 | ARG | 1 | 0.735 | 0.964 | 57.205 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | B | 291 | LYS | 0 | 0.074 | -0.074 | 58.651 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | B | 291 | LYS | 1 | 0.712 | 1.003 | 54.412 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | B | 292 | TYR | 0 | -0.049 | -0.115 | 59.943 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | B | 292 | TYR | 0 | -0.100 | 0.055 | 57.317 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | B | 293 | ASP | 0 | -0.081 | -0.158 | 62.288 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | B | 293 | ASP | -1 | -0.869 | -0.909 | 63.091 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |