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: QNGMY
Calculation Name: 3PF0-A-Xray540
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 3PF0
Chain ID: A
UniProt ID: Q4FQQ8
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 | 607 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -4400570.206276 |
|---|---|
| FMO2-HF: Nuclear repulsion | 4281421.394188 |
| FMO2-HF: Total energy | -119148.812088 |
| FMO2-MP2: Total energy | -119494.944904 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:66:ILE)
Summations of interaction energy for
fragment #1(A:66:ILE)
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| 5.474 | 7.193 | 0.026 | -0.757 | -0.988 | -0.001 |
Interaction energy analysis for fragmet #1(A:66:ILE)
| frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 4 | A | 67 | VAL | 0 | -0.077 | 0.104 | 3.055 | -0.566 | -0.060 | 0.033 | -0.192 | -0.347 | 0.000 |
| 5 | A | 68 | ALA | 0 | 0.146 | -0.077 | 3.877 | 1.120 | 2.214 | -0.010 | -0.524 | -0.560 | -0.001 |
| 6 | A | 68 | ALA | 0 | -0.083 | 0.101 | 6.376 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 69 | VAL | 0 | 0.000 | -0.112 | 6.337 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 69 | VAL | 0 | -0.079 | 0.086 | 8.711 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 70 | ASP | 0 | 0.107 | -0.089 | 9.632 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 70 | ASP | -1 | -1.021 | -0.868 | 13.116 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 71 | ILE | 0 | 0.015 | -0.130 | 12.906 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 71 | ILE | 0 | -0.069 | 0.108 | 12.316 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 72 | SER | 0 | 0.016 | -0.071 | 15.261 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 72 | SER | 0 | -0.051 | 0.043 | 19.578 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 73 | ALA | 0 | 0.207 | -0.083 | 18.800 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 73 | ALA | 0 | -0.068 | 0.131 | 21.365 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 74 | GLU | 0 | 0.094 | -0.082 | 20.944 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 74 | GLU | -1 | -0.864 | -0.771 | 23.588 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 75 | THR | 0 | -0.003 | -0.097 | 19.390 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 75 | THR | 0 | 0.013 | 0.099 | 18.032 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 76 | GLU | 0 | 0.149 | -0.073 | 18.965 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 76 | GLU | -1 | -0.895 | -0.805 | 17.351 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 77 | LYS | 0 | 0.074 | -0.104 | 19.639 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 77 | LYS | 1 | 0.711 | 0.996 | 23.946 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 78 | THR | 0 | 0.028 | -0.101 | 23.320 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 78 | THR | 0 | -0.068 | 0.061 | 22.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 79 | TYR | 0 | 0.097 | -0.072 | 20.165 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 79 | TYR | 0 | -0.058 | 0.099 | 18.689 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 80 | LEU | 0 | 0.049 | -0.132 | 21.699 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 80 | LEU | 0 | -0.093 | 0.114 | 19.855 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 81 | THR | 0 | 0.063 | -0.077 | 22.951 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 81 | THR | 0 | -0.068 | 0.044 | 26.287 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 82 | HIS | 0 | 0.098 | -0.037 | 25.161 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 82 | HIS | 1 | 0.638 | 0.907 | 22.447 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 83 | VAL | 0 | 0.057 | -0.126 | 23.454 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 83 | VAL | 0 | -0.087 | 0.112 | 21.307 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 84 | ALA | 0 | 0.123 | -0.095 | 24.685 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 84 | ALA | 0 | -0.072 | 0.102 | 27.423 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 85 | ASN | 0 | 0.023 | -0.091 | 27.810 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 85 | ASN | 0 | -0.091 | 0.061 | 29.614 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 86 | ASP | 0 | 0.109 | -0.086 | 28.339 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 86 | ASP | -1 | -0.932 | -0.802 | 27.359 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 87 | MET | 0 | 0.000 | -0.101 | 26.304 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 87 | MET | 0 | -0.084 | 0.062 | 22.362 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 88 | VAL | 0 | 0.114 | -0.079 | 27.619 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 88 | VAL | 0 | -0.089 | 0.096 | 26.078 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 89 | ILE | 0 | 0.089 | -0.082 | 28.691 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 89 | ILE | 0 | -0.094 | 0.087 | 31.434 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 90 | PRO | 0 | -0.007 | -0.124 | 30.784 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 91 | ALA | 0 | 0.117 | 0.033 | 30.920 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 91 | ALA | 0 | -0.056 | 0.109 | 30.200 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 92 | TYR | 0 | 0.043 | -0.108 | 32.302 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 92 | TYR | 0 | -0.099 | 0.085 | 29.966 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 93 | ALA | 0 | 0.176 | -0.051 | 34.620 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 93 | ALA | 0 | -0.091 | 0.092 | 36.437 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 94 | ASP | 0 | 0.017 | -0.104 | 36.021 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 94 | ASP | -1 | -0.856 | -0.781 | 35.665 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 95 | ALA | 0 | 0.153 | -0.085 | 36.192 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 95 | ALA | 0 | -0.070 | 0.111 | 35.609 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 96 | ALA | 0 | 0.092 | -0.118 | 37.593 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 96 | ALA | 0 | -0.083 | 0.117 | 39.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 97 | LYS | 0 | 0.072 | -0.061 | 40.413 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 97 | LYS | 1 | 0.714 | 0.975 | 39.276 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 98 | GLN | 0 | 0.017 | -0.140 | 40.632 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 98 | GLN | 0 | -0.052 | 0.079 | 38.888 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 99 | SER | 0 | 0.094 | -0.057 | 41.883 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 99 | SER | 0 | -0.027 | 0.073 | 41.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 100 | ASP | 0 | 0.109 | -0.088 | 43.517 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 100 | ASP | -1 | -0.942 | -0.797 | 45.290 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 101 | LEU | 0 | 0.096 | -0.092 | 45.396 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 101 | LEU | 0 | -0.117 | 0.099 | 45.102 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 102 | LEU | 0 | 0.104 | -0.115 | 45.723 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 102 | LEU | 0 | -0.085 | 0.104 | 44.530 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 103 | HIS | 0 | 0.097 | -0.087 | 47.122 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 103 | HIS | 0 | -0.126 | 0.085 | 48.425 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 104 | ASP | 0 | 0.064 | -0.086 | 49.497 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 104 | ASP | -1 | -0.857 | -0.786 | 50.705 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 105 | LEU | 0 | 0.011 | -0.120 | 50.515 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 105 | LEU | 0 | -0.053 | 0.098 | 48.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 106 | ALA | 0 | 0.178 | -0.076 | 51.306 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 106 | ALA | 0 | -0.085 | 0.110 | 51.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 107 | GLN | 0 | 0.127 | -0.098 | 52.961 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 107 | GLN | 0 | -0.220 | 0.049 | 54.124 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 108 | LYS | 0 | 0.080 | -0.095 | 55.169 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 108 | LYS | 1 | 0.708 | 0.964 | 54.431 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 109 | HIS | 0 | 0.036 | -0.090 | 55.845 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 109 | HIS | 0 | -0.076 | 0.084 | 53.525 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 110 | CYS | 0 | 0.105 | -0.120 | 56.913 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 110 | CYS | 0 | -0.259 | 0.200 | 56.333 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 111 | GLN | 0 | 0.071 | -0.105 | 58.551 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 111 | GLN | 0 | -0.112 | 0.070 | 59.952 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 112 | LYS | 0 | -0.089 | -0.130 | 60.983 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 112 | LYS | 1 | 0.825 | 1.008 | 60.730 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 113 | ALA | 0 | 0.159 | -0.054 | 60.904 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 113 | ALA | 0 | -0.077 | 0.107 | 60.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 114 | PRO | 0 | -0.110 | -0.153 | 60.941 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 115 | VAL | 0 | 0.099 | 0.002 | 57.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 115 | VAL | 0 | -0.051 | 0.119 | 55.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 116 | SER | 0 | 0.011 | -0.081 | 57.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 116 | SER | 0 | -0.030 | 0.079 | 58.876 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 117 | GLY | 0 | 0.015 | -0.101 | 57.125 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 118 | ASP | 0 | 0.138 | 0.006 | 54.804 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 118 | ASP | -1 | -1.009 | -0.859 | 55.894 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 119 | GLU | 0 | 0.022 | -0.115 | 53.832 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 119 | GLU | -1 | -0.915 | -0.819 | 56.279 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 120 | LEU | 0 | 0.127 | -0.096 | 53.389 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 120 | LEU | 0 | -0.095 | 0.114 | 52.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 121 | GLN | 0 | 0.088 | -0.091 | 50.549 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 121 | GLN | 0 | -0.095 | 0.082 | 47.758 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 122 | ALA | 0 | 0.122 | -0.084 | 49.109 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 122 | ALA | 0 | -0.096 | 0.088 | 50.950 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 123 | LEU | 0 | -0.004 | -0.126 | 48.461 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 123 | LEU | 0 | -0.062 | 0.097 | 49.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 124 | ARG | 0 | 0.092 | -0.111 | 46.716 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 124 | ARG | 1 | 0.743 | 1.023 | 46.954 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 125 | ASP | 0 | 0.109 | -0.090 | 44.785 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 125 | ASP | -1 | -0.972 | -0.817 | 45.708 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 126 | GLN | 0 | 0.073 | -0.096 | 43.498 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 126 | GLN | 0 | -0.121 | 0.073 | 42.990 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 127 | TRP | 0 | 0.064 | -0.100 | 42.885 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 127 | TRP | 0 | -0.125 | 0.076 | 40.236 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 128 | LEU | 0 | 0.103 | -0.097 | 40.455 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 128 | LEU | 0 | -0.096 | 0.110 | 38.863 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 129 | VAL | 0 | 0.080 | -0.111 | 38.762 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 129 | VAL | 0 | -0.087 | 0.106 | 39.245 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 130 | LEU | 0 | 0.141 | -0.095 | 38.017 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 130 | LEU | 0 | -0.144 | 0.103 | 38.988 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 131 | ALA | 0 | 0.073 | -0.120 | 37.437 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 131 | ALA | 0 | -0.068 | 0.110 | 37.584 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 132 | GLN | 0 | 0.037 | -0.117 | 34.281 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 132 | GLN | 0 | -0.148 | 0.054 | 34.686 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 133 | ALA | 0 | 0.074 | -0.091 | 33.234 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 133 | ALA | 0 | -0.049 | 0.115 | 35.974 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 134 | TRP | 0 | 0.095 | -0.101 | 33.270 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 134 | TRP | 0 | -0.091 | 0.065 | 33.475 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 135 | ALA | 0 | 0.067 | -0.113 | 31.366 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 135 | ALA | 0 | -0.095 | 0.098 | 31.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 136 | SER | 0 | 0.045 | -0.106 | 28.819 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 136 | SER | 0 | -0.065 | 0.054 | 29.699 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 137 | ALA | 0 | 0.132 | -0.072 | 28.327 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 137 | ALA | 0 | -0.080 | 0.110 | 31.962 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 138 | GLU | 0 | -0.011 | -0.137 | 28.884 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 138 | GLU | -1 | -0.854 | -0.758 | 28.644 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 139 | MET | 0 | 0.060 | -0.084 | 24.782 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 139 | MET | 0 | -0.087 | 0.080 | 24.089 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 140 | VAL | 0 | 0.079 | -0.102 | 23.848 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 140 | VAL | 0 | -0.152 | 0.103 | 25.270 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 141 | ASN | 0 | 0.074 | -0.074 | 24.918 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 141 | ASN | 0 | -0.047 | 0.071 | 22.898 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 142 | PHE | 0 | 0.040 | -0.099 | 26.136 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 142 | PHE | 0 | -0.064 | 0.091 | 23.539 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 143 | GLY | 0 | 0.047 | -0.088 | 27.422 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 144 | PRO | 0 | -0.013 | -0.025 | 29.907 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 145 | ALA | 0 | 0.150 | 0.036 | 31.901 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 145 | ALA | 0 | -0.032 | 0.130 | 30.999 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 146 | THR | 0 | -0.042 | -0.115 | 31.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 146 | THR | 0 | -0.044 | 0.066 | 29.648 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 147 | ALA | 0 | 0.090 | -0.079 | 32.885 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 147 | ALA | 0 | -0.081 | 0.100 | 35.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 148 | SER | 0 | -0.068 | -0.087 | 35.804 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 148 | SER | 0 | -0.023 | 0.057 | 39.999 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 149 | MET | 0 | 0.176 | -0.043 | 35.826 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 149 | MET | 0 | -0.122 | 0.076 | 36.933 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 150 | SER | 0 | 0.133 | -0.069 | 36.917 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 150 | SER | 0 | -0.029 | 0.076 | 36.866 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 151 | ASN | 0 | 0.121 | -0.047 | 33.595 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 151 | ASN | 0 | -0.094 | 0.053 | 31.754 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 152 | LEU | 0 | 0.063 | -0.086 | 35.098 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 152 | LEU | 0 | -0.094 | 0.076 | 34.557 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 153 | TYR | 0 | 0.089 | -0.089 | 36.874 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 153 | TYR | 0 | -0.171 | 0.054 | 39.948 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 154 | ILE | 0 | 0.097 | -0.067 | 37.856 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 154 | ILE | 0 | -0.121 | 0.083 | 36.670 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 155 | ASN | 0 | 0.083 | -0.101 | 36.028 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 155 | ASN | 0 | -0.112 | 0.039 | 33.630 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 156 | TYR | 0 | 0.150 | -0.067 | 36.050 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 156 | TYR | 0 | -0.126 | 0.104 | 39.525 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 157 | TYR | 0 | 0.080 | -0.114 | 35.382 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 157 | TYR | 0 | -0.107 | 0.077 | 31.799 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 158 | PRO | 0 | -0.036 | -0.129 | 32.161 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 159 | ASP | 0 | 0.095 | 0.000 | 35.128 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 159 | ASP | -1 | -0.830 | -0.762 | 39.700 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 160 | GLU | 0 | 0.067 | -0.124 | 37.723 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 160 | GLU | -1 | -0.901 | -0.807 | 34.326 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 161 | ARG | 0 | -0.082 | -0.116 | 38.729 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 161 | ARG | 1 | 0.874 | 1.036 | 40.589 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 162 | GLY | 0 | 0.052 | -0.091 | 42.018 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 163 | LEU | 0 | 0.072 | 0.000 | 43.417 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 163 | LEU | 0 | -0.114 | 0.062 | 42.421 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 164 | VAL | 0 | 0.084 | -0.091 | 43.903 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 164 | VAL | 0 | -0.077 | 0.101 | 41.907 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 165 | HIS | 0 | 0.093 | -0.082 | 45.145 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 165 | HIS | 0 | -0.163 | 0.049 | 46.705 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 166 | GLY | 0 | -0.007 | -0.102 | 47.691 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 167 | GLY | 0 | 0.050 | 0.008 | 48.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 168 | VAL | 0 | 0.097 | 0.018 | 48.993 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 168 | VAL | 0 | -0.067 | 0.106 | 47.226 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 169 | ALA | 0 | 0.124 | -0.100 | 50.109 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 169 | ALA | 0 | -0.070 | 0.119 | 53.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 170 | ASP | 0 | 0.075 | -0.099 | 53.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 170 | ASP | -1 | -1.029 | -0.866 | 53.062 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 171 | LEU | 0 | 0.093 | -0.095 | 52.547 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 171 | LEU | 0 | -0.080 | 0.096 | 50.563 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 172 | ILE | 0 | 0.087 | -0.089 | 53.930 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 172 | ILE | 0 | -0.076 | 0.097 | 52.270 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 173 | THR | 0 | -0.033 | -0.115 | 55.614 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 173 | THR | 0 | -0.083 | 0.040 | 57.158 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 174 | ALA | 0 | 0.068 | -0.093 | 57.480 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 174 | ALA | 0 | -0.096 | 0.095 | 56.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 175 | ASN | 0 | -0.099 | -0.116 | 57.128 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 175 | ASN | 0 | -0.117 | 0.049 | 55.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 176 | PRO | 0 | 0.087 | -0.101 | 57.785 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 177 | ALA | 0 | 0.120 | 0.021 | 59.691 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 177 | ALA | 0 | -0.137 | 0.076 | 61.265 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 178 | LEU | 0 | 0.127 | -0.103 | 55.237 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 178 | LEU | 0 | -0.119 | 0.097 | 51.959 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 179 | THR | 0 | -0.042 | -0.082 | 54.808 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 179 | THR | 0 | -0.079 | 0.014 | 55.054 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 180 | ALA | 0 | 0.226 | -0.068 | 50.675 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 180 | ALA | 0 | -0.079 | 0.113 | 49.873 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 181 | GLU | 0 | -0.019 | -0.149 | 49.989 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 181 | GLU | -1 | -0.914 | -0.802 | 52.522 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 182 | GLN | 0 | 0.065 | -0.097 | 51.553 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 182 | GLN | 0 | -0.025 | 0.116 | 53.910 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 183 | LEU | 0 | 0.030 | -0.113 | 49.007 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 183 | LEU | 0 | -0.039 | 0.140 | 47.946 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 184 | ALA | 0 | 0.123 | -0.083 | 47.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 184 | ALA | 0 | -0.083 | 0.094 | 48.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 185 | ASN | 0 | 0.034 | -0.087 | 47.628 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 185 | ASN | 0 | -0.140 | 0.046 | 51.577 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 186 | GLU | 0 | 0.030 | -0.094 | 49.150 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 186 | GLU | -1 | -0.971 | -0.855 | 49.026 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 187 | SER | 0 | 0.054 | -0.079 | 45.685 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 187 | SER | 0 | -0.011 | 0.076 | 45.295 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 188 | ALA | 0 | 0.139 | -0.094 | 41.489 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 188 | ALA | 0 | -0.094 | 0.098 | 40.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 189 | VAL | 0 | 0.032 | -0.111 | 42.853 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 189 | VAL | 0 | -0.107 | 0.099 | 42.599 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 190 | VAL | 0 | 0.092 | -0.076 | 43.790 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 190 | VAL | 0 | -0.084 | 0.117 | 47.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 191 | GLN | 0 | 0.083 | -0.054 | 44.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 191 | GLN | 0 | -0.130 | 0.039 | 43.745 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 192 | GLY | 0 | 0.093 | -0.066 | 41.552 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 193 | ILE | 0 | 0.089 | -0.001 | 39.551 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 193 | ILE | 0 | -0.098 | 0.116 | 37.280 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 194 | PRO | 0 | -0.008 | -0.098 | 39.167 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 195 | GLY | 0 | 0.067 | 0.020 | 41.680 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 196 | LEU | 0 | 0.035 | -0.003 | 44.576 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 196 | LEU | 0 | -0.066 | 0.079 | 43.824 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 197 | GLU | 0 | 0.085 | -0.097 | 43.257 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 197 | GLU | -1 | -0.912 | -0.827 | 40.757 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 198 | GLU | 0 | 0.108 | -0.090 | 44.603 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 198 | GLU | -1 | -0.923 | -0.801 | 45.880 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 199 | ALA | 0 | 0.111 | -0.103 | 47.042 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 199 | ALA | 0 | -0.095 | 0.087 | 49.174 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 200 | LEU | 0 | -0.003 | -0.109 | 48.314 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 200 | LEU | 0 | -0.099 | 0.086 | 46.432 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 201 | TYR | 0 | -0.004 | -0.105 | 47.977 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 201 | TYR | 0 | -0.074 | 0.097 | 44.955 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 202 | ALA | 0 | 0.159 | -0.078 | 49.376 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 202 | ALA | 0 | -0.065 | 0.112 | 51.054 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 203 | ASN | 0 | -0.033 | -0.111 | 51.700 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 203 | ASN | 0 | -0.073 | 0.074 | 55.354 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 204 | ASP | 0 | 0.061 | -0.115 | 53.479 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 204 | ASP | -1 | -0.948 | -0.836 | 55.887 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 205 | SER | 0 | 0.123 | -0.089 | 55.677 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 205 | SER | 0 | -0.068 | 0.054 | 59.190 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 206 | LEU | 0 | -0.002 | -0.093 | 56.154 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 206 | LEU | 0 | -0.059 | 0.111 | 52.961 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 207 | ASP | 0 | 0.066 | -0.081 | 57.189 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 207 | ASP | -1 | -0.886 | -0.818 | 59.550 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 208 | ALA | 0 | 0.146 | -0.115 | 58.613 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 208 | ALA | 0 | -0.093 | 0.105 | 62.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 209 | GLY | 0 | -0.015 | -0.094 | 58.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 210 | GLN | 0 | 0.114 | -0.003 | 55.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 210 | GLN | 0 | -0.080 | 0.104 | 54.944 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 211 | CYS | 0 | 0.089 | -0.100 | 54.109 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 212 | ALA | 0 | 0.169 | -0.088 | 54.584 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 212 | ALA | 0 | -0.067 | 0.121 | 57.184 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 213 | TYR | 0 | 0.057 | -0.094 | 52.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 213 | TYR | 0 | -0.111 | 0.063 | 47.740 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 214 | VAL | 0 | 0.096 | -0.087 | 50.030 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 214 | VAL | 0 | -0.049 | 0.111 | 49.554 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 215 | MET | 0 | 0.102 | -0.096 | 49.763 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 215 | MET | 0 | -0.114 | 0.114 | 53.491 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 216 | SER | 0 | 0.082 | -0.090 | 50.444 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 216 | SER | 0 | -0.060 | 0.068 | 51.561 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 217 | ALA | 0 | 0.085 | -0.116 | 47.476 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 217 | ALA | 0 | -0.065 | 0.130 | 46.606 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 218 | SER | 0 | 0.001 | -0.100 | 45.647 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 218 | SER | 0 | -0.034 | 0.067 | 46.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 219 | SER | 0 | 0.080 | -0.061 | 45.904 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 219 | SER | 0 | -0.049 | 0.078 | 49.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 220 | ALA | 0 | 0.093 | -0.082 | 46.515 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 220 | ALA | 0 | -0.051 | 0.112 | 46.375 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 221 | LEU | 0 | 0.011 | -0.131 | 42.478 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 221 | LEU | 0 | -0.085 | 0.123 | 39.712 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 222 | GLY | 0 | 0.051 | -0.103 | 41.822 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 223 | THR | 0 | -0.016 | -0.010 | 42.803 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 223 | THR | 0 | -0.071 | 0.059 | 45.079 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 224 | ARG | 0 | 0.093 | -0.083 | 41.212 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 224 | ARG | 1 | 0.830 | 1.048 | 40.227 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 225 | LEU | 0 | 0.061 | -0.101 | 38.125 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 225 | LEU | 0 | -0.097 | 0.100 | 36.946 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 226 | LYS | 0 | 0.136 | -0.090 | 38.215 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 226 | LYS | 1 | 0.727 | 0.996 | 41.694 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 227 | ASP | 0 | 0.109 | -0.105 | 40.066 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 227 | ASP | -1 | -1.001 | -0.843 | 40.594 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 228 | ILE | 0 | 0.017 | -0.137 | 35.944 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 228 | ILE | 0 | -0.104 | 0.108 | 33.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 229 | GLU | 0 | 0.101 | -0.111 | 35.342 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 229 | GLU | -1 | -0.967 | -0.836 | 36.673 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 230 | LYS | 0 | 0.059 | -0.134 | 36.220 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 230 | LYS | 1 | 0.747 | 1.039 | 39.278 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 231 | ASN | 0 | 0.135 | -0.056 | 36.735 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 231 | ASN | 0 | -0.100 | 0.080 | 35.552 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 232 | TRP | 0 | 0.112 | -0.102 | 32.755 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 232 | TRP | 0 | -0.102 | 0.103 | 26.712 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 233 | GLN | 0 | 0.088 | -0.135 | 33.011 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 233 | GLN | 0 | -0.065 | 0.108 | 36.005 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 234 | GLN | 0 | 0.047 | -0.078 | 35.281 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 234 | GLN | 0 | -0.097 | 0.099 | 37.322 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 235 | ASN | 0 | -0.028 | -0.092 | 33.478 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 235 | ASN | 0 | -0.081 | 0.060 | 32.940 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 236 | ALA | 0 | 0.184 | -0.082 | 29.857 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 236 | ALA | 0 | -0.035 | 0.125 | 29.462 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 237 | ILE | 0 | 0.098 | -0.077 | 28.261 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 237 | ILE | 0 | -0.092 | 0.079 | 29.172 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 238 | LYS | 0 | 0.167 | -0.049 | 27.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 238 | LYS | 1 | 0.761 | 0.999 | 30.760 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 239 | LEU | 0 | -0.021 | -0.125 | 28.021 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 239 | LEU | 0 | -0.086 | 0.088 | 28.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 240 | LEU | 0 | 0.031 | -0.097 | 24.170 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 240 | LEU | 0 | -0.063 | 0.093 | 22.802 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 241 | ALA | 0 | 0.165 | -0.055 | 23.488 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 241 | ALA | 0 | -0.074 | 0.099 | 23.202 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 242 | ILE | 0 | 0.107 | -0.081 | 24.311 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 242 | ILE | 0 | -0.146 | 0.073 | 24.704 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 243 | ASP | 0 | 0.007 | -0.108 | 25.499 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 243 | ASP | -1 | -0.931 | -0.867 | 28.518 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 244 | LYS | 0 | 0.052 | -0.095 | 25.055 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 244 | LYS | 1 | 0.815 | 1.044 | 24.991 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 245 | THR | 0 | 0.084 | -0.073 | 20.990 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 245 | THR | 0 | -0.094 | 0.040 | 20.639 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 246 | ALA | 0 | 0.136 | -0.068 | 20.538 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 246 | ALA | 0 | -0.108 | 0.082 | 24.290 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 247 | GLU | 0 | -0.017 | -0.111 | 22.044 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 247 | GLU | -1 | -0.949 | -0.855 | 23.772 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 248 | SER | 0 | -0.017 | -0.107 | 19.429 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 248 | SER | 0 | -0.067 | 0.043 | 20.491 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 249 | ASP | 0 | 0.141 | -0.033 | 15.942 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 249 | ASP | -1 | -0.824 | -0.765 | 14.467 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 250 | GLN | 0 | 0.062 | -0.105 | 17.456 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 250 | GLN | 0 | -0.106 | 0.081 | 21.245 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 251 | GLY | 0 | 0.039 | -0.085 | 19.975 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 252 | LEU | 0 | 0.136 | -0.014 | 16.401 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 252 | LEU | 0 | -0.078 | 0.134 | 13.807 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 253 | ASN | 0 | 0.094 | -0.067 | 15.320 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 253 | ASN | 0 | -0.070 | 0.074 | 14.570 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 254 | GLN | 0 | 0.088 | -0.092 | 16.287 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 254 | GLN | 0 | -0.084 | 0.092 | 21.091 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 255 | TRP | 0 | 0.073 | -0.085 | 19.451 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 255 | TRP | 0 | -0.074 | 0.089 | 18.117 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 256 | PHE | 0 | 0.076 | -0.117 | 15.140 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 256 | PHE | 0 | -0.076 | 0.106 | 14.443 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 257 | ASN | 0 | 0.137 | -0.064 | 16.553 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 257 | ASN | 0 | -0.161 | 0.032 | 14.759 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 258 | SER | 0 | 0.034 | -0.087 | 17.465 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 258 | SER | 0 | -0.037 | 0.068 | 21.462 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 259 | LEU | 0 | 0.044 | -0.117 | 19.012 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 259 | LEU | 0 | -0.060 | 0.113 | 18.058 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 260 | LEU | 0 | 0.105 | -0.103 | 16.941 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 260 | LEU | 0 | -0.115 | 0.101 | 14.728 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 261 | SER | 0 | 0.043 | -0.082 | 18.094 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 261 | SER | 0 | -0.009 | 0.078 | 21.318 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 262 | LEU | 0 | 0.069 | -0.090 | 21.372 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 262 | LEU | 0 | -0.080 | 0.122 | 22.368 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 263 | VAL | 0 | 0.045 | -0.090 | 20.811 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 263 | VAL | 0 | -0.071 | 0.104 | 18.687 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 264 | GLU | 0 | 0.084 | -0.099 | 20.753 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 264 | GLU | -1 | -0.858 | -0.798 | 18.204 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 265 | THR | 0 | -0.006 | -0.109 | 21.627 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 265 | THR | 0 | -0.072 | 0.045 | 24.392 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 266 | MET | 0 | 0.114 | -0.076 | 24.919 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 266 | MET | 0 | -0.102 | 0.116 | 24.542 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 267 | LYS | 0 | 0.087 | -0.094 | 23.847 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 267 | LYS | 1 | 0.778 | 1.040 | 19.892 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 268 | SER | 0 | 0.081 | -0.077 | 25.172 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 268 | SER | 0 | -0.061 | 0.067 | 24.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 269 | ASN | 0 | 0.056 | -0.090 | 26.579 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 269 | ASN | 0 | -0.089 | 0.053 | 28.715 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 270 | ALA | 0 | 0.134 | -0.058 | 28.776 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 270 | ALA | 0 | -0.102 | 0.091 | 29.305 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 271 | ILE | 0 | -0.010 | -0.111 | 29.036 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 271 | ILE | 0 | -0.085 | 0.083 | 28.071 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 272 | GLU | 0 | 0.194 | -0.083 | 28.308 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 272 | GLU | -1 | -0.884 | -0.747 | 26.214 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 273 | GLN | 0 | 0.030 | -0.085 | 29.531 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 273 | GLN | 0 | -0.114 | 0.049 | 29.235 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 274 | PRO | 0 | 0.013 | -0.088 | 31.921 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 275 | LEU | 0 | 0.053 | -0.009 | 33.430 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 275 | LEU | 0 | -0.051 | 0.132 | 32.051 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 276 | GLY | 0 | -0.011 | -0.107 | 34.133 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 277 | LEU | 0 | -0.047 | -0.043 | 30.439 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 277 | LEU | 0 | -0.061 | 0.123 | 28.822 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 278 | SER | 0 | 0.037 | -0.086 | 29.483 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 278 | SER | 0 | -0.062 | 0.045 | 28.611 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 279 | GLY | 0 | -0.031 | -0.122 | 30.719 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 280 | LYS | 0 | 0.132 | 0.043 | 34.204 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 280 | LYS | 1 | 0.742 | 1.004 | 38.112 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 281 | ALA | 0 | 0.147 | -0.107 | 35.880 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 281 | ALA | 0 | -0.055 | 0.148 | 37.332 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 282 | LYS | 0 | -0.013 | -0.142 | 35.781 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 282 | LYS | 1 | 0.721 | 0.979 | 32.582 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 283 | GLY | 0 | 0.028 | -0.076 | 35.104 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 284 | HIS | 0 | 0.056 | 0.001 | 36.173 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 284 | HIS | 0 | -0.045 | 0.103 | 38.064 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 285 | LEU | 0 | 0.067 | -0.076 | 34.584 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 285 | LEU | 0 | -0.029 | 0.121 | 33.739 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 286 | PRO | 0 | -0.038 | -0.115 | 32.511 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 287 | ALA | 0 | 0.185 | 0.052 | 35.659 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 287 | ALA | 0 | -0.103 | 0.080 | 37.769 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 288 | ALA | 0 | 0.123 | -0.097 | 38.873 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 288 | ALA | 0 | -0.118 | 0.084 | 39.130 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 289 | THR | 0 | -0.044 | -0.079 | 40.477 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 289 | THR | 0 | -0.043 | 0.048 | 44.406 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 290 | ALA | 0 | 0.121 | -0.087 | 42.811 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 290 | ALA | 0 | -0.092 | 0.079 | 41.816 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 291 | GLY | 0 | -0.038 | -0.104 | 41.906 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 292 | GLN | 0 | 0.019 | -0.008 | 39.573 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 292 | GLN | 0 | -0.092 | 0.066 | 39.472 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 293 | SER | 0 | 0.068 | -0.080 | 36.042 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 293 | SER | 0 | -0.056 | 0.052 | 35.106 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 294 | ARG | 0 | 0.123 | -0.108 | 33.746 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 294 | ARG | 1 | 0.755 | 1.025 | 33.769 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 295 | ALA | 0 | 0.091 | -0.125 | 33.239 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 295 | ALA | 0 | -0.044 | 0.146 | 36.744 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 296 | ILE | 0 | 0.026 | -0.105 | 33.282 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 296 | ILE | 0 | -0.050 | 0.115 | 32.038 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 297 | ILE | 0 | 0.062 | -0.113 | 29.460 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 297 | ILE | 0 | -0.050 | 0.108 | 28.093 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 298 | ASN | 0 | 0.142 | -0.057 | 28.558 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 298 | ASN | 0 | -0.088 | 0.071 | 31.437 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 299 | ALA | 0 | 0.051 | -0.115 | 29.262 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 299 | ALA | 0 | -0.036 | 0.138 | 31.606 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 300 | LYS | 0 | 0.085 | -0.076 | 27.249 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 300 | LYS | 1 | 0.791 | 1.024 | 26.271 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 301 | LEU | 0 | 0.043 | -0.126 | 24.485 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 301 | LEU | 0 | -0.059 | 0.119 | 23.749 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 302 | ALA | 0 | 0.116 | -0.089 | 24.488 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 302 | ALA | 0 | -0.074 | 0.115 | 28.477 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 303 | THR | 0 | -0.040 | -0.112 | 25.836 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 303 | THR | 0 | -0.066 | 0.049 | 25.388 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 304 | LEU | 0 | 0.129 | -0.081 | 21.974 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 304 | LEU | 0 | -0.094 | 0.111 | 18.887 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 305 | ASN | 0 | 0.107 | -0.065 | 20.854 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 305 | ASN | 0 | -0.064 | 0.081 | 22.259 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 306 | LYS | 0 | 0.087 | -0.076 | 21.838 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 306 | LYS | 1 | 0.794 | 1.026 | 24.951 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 307 | ALA | 0 | 0.085 | -0.112 | 21.065 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 307 | ALA | 0 | -0.075 | 0.102 | 20.389 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 308 | MET | 0 | -0.017 | -0.142 | 17.434 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 308 | MET | 0 | -0.096 | 0.093 | 15.690 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 309 | THR | 0 | -0.010 | -0.084 | 17.436 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 309 | THR | 0 | -0.076 | 0.051 | 19.568 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 310 | ASP | 0 | 0.141 | -0.075 | 20.082 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 310 | ASP | -1 | -0.845 | -0.773 | 20.098 | 0.337 | 0.337 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 311 | PRO | 0 | 0.011 | -0.102 | 19.862 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 312 | VAL | 0 | 0.053 | 0.020 | 20.555 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 312 | VAL | 0 | -0.098 | 0.078 | 20.389 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 313 | LEU | 0 | 0.159 | -0.092 | 16.951 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 313 | LEU | 0 | -0.097 | 0.101 | 14.241 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 314 | THR | 0 | 0.005 | -0.097 | 15.600 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 314 | THR | 0 | -0.062 | 0.065 | 16.866 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 315 | ALA | 0 | 0.119 | -0.075 | 16.080 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 315 | ALA | 0 | -0.108 | 0.082 | 19.233 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 316 | ILE | 0 | 0.047 | -0.083 | 15.238 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 316 | ILE | 0 | -0.100 | 0.081 | 13.225 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 317 | LEU | 0 | 0.095 | -0.095 | 11.499 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 317 | LEU | 0 | -0.087 | 0.093 | 10.325 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 318 | GLY | 0 | -0.044 | -0.114 | 11.688 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 319 | SER | 0 | 0.025 | 0.002 | 13.256 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 319 | SER | 0 | -0.047 | 0.069 | 12.265 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 320 | ASN | 0 | 0.024 | -0.047 | 10.774 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 320 | ASN | 0 | -0.142 | -0.019 | 7.528 | -0.270 | -0.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 321 | ASN | 0 | 0.107 | -0.031 | 9.679 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 321 | ASN | 0 | -0.116 | 0.037 | 6.510 | -0.748 | -0.748 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 322 | GLU | 0 | -0.016 | -0.124 | 8.163 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 322 | GLU | -1 | -0.842 | -0.771 | 5.956 | 5.629 | 5.629 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 323 | ASN | 0 | 0.182 | -0.060 | 8.786 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 323 | ASN | 0 | -0.118 | 0.052 | 13.011 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 324 | THR | 0 | 0.062 | -0.054 | 10.457 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 324 | THR | 0 | -0.039 | 0.057 | 8.504 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 325 | VAL | 0 | 0.022 | -0.119 | 9.809 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 325 | VAL | 0 | -0.060 | 0.118 | 7.725 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 326 | ALA | 0 | 0.121 | -0.081 | 10.638 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 326 | ALA | 0 | -0.049 | 0.106 | 14.460 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 327 | ASP | 0 | 0.060 | -0.107 | 14.155 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 327 | ASP | -1 | -0.956 | -0.828 | 14.112 | 0.956 | 0.956 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 328 | THR | 0 | 0.030 | -0.079 | 13.087 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 328 | THR | 0 | -0.082 | 0.034 | 11.740 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 329 | LEU | 0 | 0.055 | -0.101 | 14.099 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 329 | LEU | 0 | -0.077 | 0.106 | 12.800 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 330 | SER | 0 | 0.079 | -0.072 | 15.629 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 330 | SER | 0 | 0.005 | 0.075 | 18.647 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 331 | THR | 0 | -0.071 | -0.086 | 17.840 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 331 | THR | 0 | -0.098 | 0.038 | 17.621 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 332 | ALA | 0 | 0.206 | -0.038 | 17.751 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 332 | ALA | 0 | -0.097 | 0.083 | 17.201 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 333 | LEU | 0 | 0.031 | -0.112 | 19.092 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 333 | LEU | 0 | -0.071 | 0.111 | 18.355 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 334 | ALA | 0 | 0.128 | -0.065 | 21.223 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 334 | ALA | 0 | -0.080 | 0.105 | 22.941 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 335 | ASP | 0 | 0.049 | -0.125 | 22.494 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 335 | ASP | -1 | -0.954 | -0.847 | 20.910 | 0.349 | 0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 336 | THR | 0 | 0.025 | -0.089 | 22.977 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 336 | THR | 0 | -0.062 | 0.036 | 21.881 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 337 | THR | 0 | 0.027 | -0.070 | 24.558 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 337 | THR | 0 | -0.075 | 0.038 | 25.133 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 338 | ALA | 0 | 0.093 | -0.091 | 26.931 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 338 | ALA | 0 | -0.092 | 0.101 | 27.442 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 339 | LEU | 0 | 0.095 | -0.106 | 27.592 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 339 | LEU | 0 | -0.092 | 0.115 | 26.718 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 340 | LEU | 0 | 0.097 | -0.127 | 28.763 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 340 | LEU | 0 | -0.126 | 0.108 | 29.020 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 341 | ALA | 0 | 0.080 | -0.093 | 30.617 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 341 | ALA | 0 | -0.086 | 0.100 | 32.045 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 342 | GLN | 0 | -0.002 | -0.099 | 32.679 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 342 | GLN | 0 | -0.109 | 0.072 | 32.076 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 343 | MET | 0 | 0.033 | -0.113 | 33.862 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 343 | MET | 0 | -0.079 | 0.109 | 31.771 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 344 | PRO | 0 | -0.019 | -0.118 | 35.171 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 345 | GLU | 0 | 0.082 | -0.012 | 37.273 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 345 | GLU | -1 | -0.881 | -0.784 | 40.093 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 346 | ASP | 0 | 0.076 | -0.093 | 38.213 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 346 | ASP | -1 | -0.837 | -0.762 | 38.580 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 347 | LEU | 0 | 0.078 | -0.096 | 34.545 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 347 | LEU | 0 | -0.058 | 0.109 | 31.929 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 348 | ALA | 0 | 0.127 | -0.112 | 35.969 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 348 | ALA | 0 | -0.057 | 0.124 | 38.391 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 349 | THR | 0 | -0.108 | -0.123 | 38.087 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 349 | THR | 0 | -0.070 | 0.039 | 40.044 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 350 | ALA | 0 | 0.121 | -0.067 | 35.873 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 350 | ALA | 0 | -0.072 | 0.082 | 35.319 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 351 | ASP | 0 | 0.034 | -0.120 | 36.738 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 351 | ASP | -1 | -0.914 | -0.799 | 35.693 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 352 | LYS | 0 | 0.082 | -0.083 | 34.680 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 352 | LYS | 1 | 0.740 | 0.995 | 34.158 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 353 | ALA | 0 | 0.115 | -0.077 | 32.093 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 353 | ALA | 0 | -0.080 | 0.088 | 32.454 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 354 | THR | 0 | 0.040 | -0.081 | 30.686 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 354 | THR | 0 | -0.031 | 0.045 | 32.108 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 355 | GLN | 0 | 0.126 | -0.081 | 30.437 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 355 | GLN | 0 | -0.099 | 0.079 | 32.360 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 356 | GLN | 0 | 0.092 | -0.088 | 28.689 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 356 | GLN | 0 | -0.139 | 0.070 | 25.997 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 357 | GLU | 0 | 0.101 | -0.122 | 26.275 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 357 | GLU | -1 | -0.989 | -0.851 | 27.159 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 358 | LEU | 0 | 0.101 | -0.089 | 25.263 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 358 | LEU | 0 | -0.065 | 0.127 | 26.973 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 359 | TYR | 0 | 0.074 | -0.098 | 24.967 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 359 | TYR | 0 | -0.121 | 0.054 | 24.040 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 360 | ASP | 0 | 0.079 | -0.108 | 22.366 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 360 | ASP | -1 | -0.930 | -0.794 | 22.543 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 361 | HIS | 0 | 0.043 | -0.125 | 20.683 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 361 | HIS | 0 | -0.121 | 0.086 | 22.399 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 362 | LEU | 0 | 0.119 | -0.096 | 20.111 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 362 | LEU | 0 | -0.074 | 0.104 | 22.512 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 363 | THR | 0 | 0.032 | -0.094 | 19.378 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 363 | THR | 0 | -0.071 | 0.072 | 18.457 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 364 | ASN | 0 | 0.121 | -0.034 | 16.279 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 364 | ASN | 0 | -0.023 | 0.095 | 15.238 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 365 | ILE | 0 | 0.062 | -0.110 | 15.249 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 365 | ILE | 0 | -0.047 | 0.125 | 17.234 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 366 | THR | 0 | 0.010 | -0.085 | 15.095 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 366 | THR | 0 | -0.066 | 0.038 | 16.798 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 367 | ARG | 0 | 0.147 | -0.076 | 13.183 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 367 | ARG | 1 | 0.733 | 1.017 | 10.089 | -0.602 | -0.602 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 368 | LEU | 0 | 0.016 | -0.096 | 11.121 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 368 | LEU | 0 | -0.051 | 0.112 | 11.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 369 | ILE | 0 | 0.109 | -0.087 | 10.274 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 369 | ILE | 0 | -0.076 | 0.103 | 13.158 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 370 | LYS | 0 | 0.070 | -0.090 | 10.327 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 370 | LYS | 1 | 0.742 | 0.965 | 11.997 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 371 | SER | 0 | -0.011 | -0.085 | 7.783 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 371 | SER | 0 | -0.092 | 0.016 | 8.193 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 372 | GLN | 0 | 0.076 | -0.067 | 5.752 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 372 | GLN | 0 | -0.043 | 0.097 | 6.146 | -0.424 | -0.424 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 373 | LEU | 0 | 0.185 | -0.074 | 6.331 | 0.664 | 0.664 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 373 | LEU | 0 | -0.109 | 0.102 | 10.565 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 374 | ILE | 0 | 0.046 | -0.082 | 8.561 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 374 | ILE | 0 | -0.097 | 0.087 | 9.129 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 375 | PRO | 0 | -0.008 | -0.126 | 3.647 | -0.339 | -0.220 | 0.003 | -0.041 | -0.081 | 0.000 |
| 594 | A | 376 | THR | 0 | 0.096 | 0.050 | 5.376 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 376 | THR | 0 | -0.060 | 0.047 | 5.733 | 0.551 | 0.551 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 377 | LEU | 0 | 0.037 | -0.097 | 6.060 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 377 | LEU | 0 | -0.114 | 0.087 | 10.230 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 378 | GLY | 0 | 0.035 | -0.095 | 7.637 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 379 | ILE | 0 | 0.062 | 0.028 | 8.931 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 379 | ILE | 0 | -0.155 | 0.085 | 10.861 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 380 | ARG | 0 | 0.076 | -0.119 | 9.653 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 380 | ARG | 1 | 0.744 | 0.972 | 11.621 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 381 | VAL | 0 | 0.079 | -0.102 | 11.768 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 381 | VAL | 0 | -0.111 | 0.113 | 10.568 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 382 | GLY | 0 | 0.032 | -0.104 | 13.202 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 383 | PHE | 0 | -0.097 | -0.036 | 16.805 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 383 | PHE | 0 | 0.053 | 0.037 | 18.722 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |