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: 7M5ZK
Calculation Name: 3MSQ-A-Xray540
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 3MSQ
Chain ID: A
UniProt ID: B2J5W7
Base Structure: X-ray
Registration Date: 2025-07-08
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 | 408 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -2630469.680809 |
|---|---|
| FMO2-HF: Nuclear repulsion | 2544858.484835 |
| FMO2-HF: Total energy | -85611.195974 |
| FMO2-MP2: Total energy | -85861.112396 |
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:6:THR)
Summations of interaction energy for
fragment #1(A:6:THR)
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| -1.869 | 0.021 | -0.002 | -0.977 | -0.909 | 0.001 |
Interaction energy analysis for fragmet #1(A:6:THR)
| frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 4 | A | 7 | TYR | 0 | -0.032 | 0.115 | 4.270 | -0.684 | -0.151 | 0.005 | -0.203 | -0.334 | 0.000 |
| 5 | A | 8 | ASN | 0 | 0.101 | -0.054 | 3.702 | 0.225 | 1.582 | -0.007 | -0.774 | -0.575 | 0.001 |
| 6 | A | 8 | ASN | 0 | -0.104 | 0.070 | 6.343 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 9 | ASN | 0 | 0.157 | -0.075 | 6.443 | -0.363 | -0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 9 | ASN | 0 | -0.078 | 0.077 | 7.487 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 10 | ASP | 0 | 0.068 | -0.103 | 8.956 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 10 | ASP | -1 | -0.928 | -0.836 | 8.515 | 1.036 | 1.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 11 | LYS | 0 | 0.030 | -0.124 | 10.375 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 11 | LYS | 1 | 0.890 | 1.093 | 10.247 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 12 | GLY | 0 | 0.067 | -0.066 | 11.472 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 13 | LEU | 0 | 0.129 | 0.012 | 13.182 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 13 | LEU | 0 | -0.110 | 0.103 | 14.156 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 14 | LEU | 0 | 0.051 | -0.120 | 14.768 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 14 | LEU | 0 | -0.084 | 0.094 | 14.077 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 15 | ALA | 0 | 0.121 | -0.084 | 15.965 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 15 | ALA | 0 | -0.040 | 0.118 | 16.400 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 16 | TYR | 0 | 0.088 | -0.086 | 17.407 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 16 | TYR | 0 | -0.079 | 0.087 | 18.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 17 | ILE | 0 | 0.069 | -0.094 | 19.151 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 17 | ILE | 0 | -0.082 | 0.088 | 18.520 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 18 | GLN | 0 | 0.120 | -0.102 | 20.442 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 18 | GLN | 0 | -0.097 | 0.101 | 20.582 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 19 | PHE | 0 | 0.081 | -0.072 | 21.723 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 19 | PHE | 0 | -0.064 | 0.108 | 21.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 20 | LEU | 0 | 0.064 | -0.102 | 23.428 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 20 | LEU | 0 | -0.113 | 0.088 | 22.627 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 21 | ALA | 0 | 0.131 | -0.073 | 24.962 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 21 | ALA | 0 | -0.062 | 0.107 | 25.398 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 22 | SER | 0 | -0.010 | -0.112 | 26.155 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 22 | SER | 0 | -0.078 | 0.053 | 25.613 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 23 | SER | 0 | -0.005 | -0.102 | 27.985 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 23 | SER | 0 | -0.027 | 0.065 | 27.343 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 24 | ALA | 0 | 0.075 | -0.075 | 29.777 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 24 | ALA | 0 | -0.095 | 0.098 | 30.646 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 25 | GLN | 0 | -0.008 | -0.123 | 31.920 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 25 | GLN | 0 | -0.087 | 0.073 | 30.518 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 26 | LYS | 0 | 0.120 | -0.072 | 33.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 26 | LYS | 1 | 0.753 | 1.002 | 37.043 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 27 | ILE | 0 | 0.026 | -0.089 | 33.370 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 27 | ILE | 0 | -0.081 | 0.089 | 31.509 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 28 | GLY | 0 | 0.023 | -0.107 | 33.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 29 | ASP | 0 | 0.077 | 0.037 | 34.601 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 29 | ASP | -1 | -0.950 | -0.843 | 35.364 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 30 | GLY | 0 | 0.043 | -0.092 | 31.603 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 31 | ASN | 0 | -0.012 | -0.001 | 30.284 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 31 | ASN | 0 | -0.073 | 0.065 | 31.815 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 32 | THR | 0 | -0.033 | -0.096 | 28.953 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 32 | THR | 0 | -0.036 | 0.055 | 29.674 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 33 | ASP | 0 | 0.139 | -0.051 | 26.727 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 33 | ASP | -1 | -0.773 | -0.772 | 27.811 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 34 | ARG | 0 | 0.109 | -0.117 | 25.011 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 34 | ARG | 1 | 0.785 | 1.005 | 26.126 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 35 | VAL | 0 | 0.029 | -0.105 | 23.836 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 35 | VAL | 0 | -0.050 | 0.104 | 24.039 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 36 | PHE | 0 | 0.027 | -0.100 | 22.328 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 36 | PHE | 0 | -0.036 | 0.096 | 23.451 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 37 | ASP | 0 | 0.117 | -0.096 | 20.847 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 37 | ASP | -1 | -0.948 | -0.818 | 21.602 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 38 | PHE | 0 | 0.090 | -0.075 | 19.089 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 38 | PHE | 0 | -0.091 | 0.098 | 17.637 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 39 | GLU | 0 | 0.041 | -0.139 | 17.731 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 39 | GLU | -1 | -0.864 | -0.794 | 19.392 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 40 | ASP | 0 | 0.090 | -0.082 | 16.570 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 40 | ASP | -1 | -0.835 | -0.768 | 17.561 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 41 | ALA | 0 | 0.041 | -0.103 | 14.785 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 41 | ALA | 0 | -0.057 | 0.113 | 15.619 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 42 | LEU | 0 | 0.079 | -0.100 | 13.267 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 42 | LEU | 0 | -0.077 | 0.112 | 14.346 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 43 | ASP | 0 | 0.112 | -0.085 | 11.850 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 43 | ASP | -1 | -0.875 | -0.788 | 12.020 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 44 | GLN | 0 | 0.078 | -0.066 | 8.220 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 44 | GLN | 0 | -0.152 | 0.046 | 8.233 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 45 | THR | 0 | 0.003 | -0.115 | 7.109 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 45 | THR | 0 | -0.086 | 0.043 | 10.319 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 46 | GLN | 0 | 0.225 | -0.050 | 7.362 | -0.420 | -0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 46 | GLN | 0 | -0.141 | 0.085 | 6.789 | 0.563 | 0.563 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 47 | MET | 0 | 0.092 | -0.105 | 8.085 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 47 | MET | 0 | -0.112 | 0.091 | 12.663 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 48 | ALA | 0 | 0.083 | -0.106 | 10.913 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 48 | ALA | 0 | -0.080 | 0.120 | 10.702 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 49 | GLN | 0 | 0.099 | -0.085 | 8.930 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 49 | GLN | 0 | -0.125 | 0.052 | 8.120 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 50 | LEU | 0 | 0.098 | -0.084 | 10.376 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 50 | LEU | 0 | -0.089 | 0.089 | 11.192 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 51 | ALA | 0 | 0.091 | -0.082 | 12.233 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 51 | ALA | 0 | -0.069 | 0.089 | 15.133 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 52 | VAL | 0 | 0.064 | -0.097 | 14.014 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 52 | VAL | 0 | -0.083 | 0.096 | 13.269 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 53 | ASP | 0 | 0.094 | -0.119 | 13.547 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 53 | ASP | -1 | -0.956 | -0.813 | 11.205 | -0.389 | -0.389 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 54 | GLU | 0 | 0.040 | -0.119 | 14.679 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 54 | GLU | -1 | -0.901 | -0.796 | 16.274 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 55 | LEU | 0 | 0.069 | -0.095 | 17.802 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 55 | LEU | 0 | -0.085 | 0.088 | 18.061 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 56 | LYS | 0 | 0.061 | -0.084 | 18.257 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 56 | LYS | 1 | 0.787 | 1.026 | 16.532 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 57 | LYS | 0 | 0.061 | -0.122 | 19.667 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 57 | LYS | 1 | 0.727 | 0.978 | 16.767 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 58 | ILE | 0 | 0.063 | -0.079 | 21.389 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 58 | ILE | 0 | -0.120 | 0.101 | 22.773 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 59 | PRO | 0 | 0.005 | -0.133 | 24.535 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 60 | GLU | 0 | 0.076 | -0.008 | 26.290 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 60 | GLU | -1 | -0.907 | -0.817 | 27.920 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 61 | VAL | 0 | 0.042 | -0.122 | 24.062 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 61 | VAL | 0 | -0.044 | 0.120 | 22.212 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 62 | ASN | 0 | 0.132 | -0.055 | 22.056 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 62 | ASN | 0 | -0.081 | 0.076 | 21.056 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 63 | ALA | 0 | 0.111 | -0.083 | 23.035 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 63 | ALA | 0 | -0.083 | 0.114 | 27.543 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 64 | LEU | 0 | 0.057 | -0.119 | 25.630 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 64 | LEU | 0 | -0.092 | 0.107 | 25.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 65 | PHE | 0 | 0.097 | -0.089 | 20.819 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 65 | PHE | 0 | -0.127 | 0.064 | 17.303 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 66 | SER | 0 | -0.002 | -0.088 | 21.703 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 66 | SER | 0 | -0.083 | 0.041 | 23.278 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 67 | GLU | 0 | 0.011 | -0.110 | 23.420 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 67 | GLU | -1 | -0.875 | -0.798 | 26.943 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 68 | ARG | 0 | 0.008 | -0.082 | 23.071 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 68 | ARG | 1 | 0.724 | 0.993 | 17.187 | 0.382 | 0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 69 | TRP | 0 | 0.144 | -0.085 | 23.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 69 | TRP | 0 | -0.109 | 0.083 | 27.309 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 70 | LEU | 0 | 0.037 | -0.086 | 26.133 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 70 | LEU | 0 | -0.079 | 0.091 | 24.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 71 | PRO | 0 | -0.032 | -0.103 | 28.105 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 72 | ALA | 0 | 0.095 | -0.012 | 31.690 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 72 | ALA | 0 | -0.068 | 0.114 | 35.320 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 73 | PRO | 0 | -0.055 | -0.125 | 34.614 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 74 | PHE | 0 | 0.055 | 0.014 | 36.352 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 74 | PHE | 0 | -0.054 | 0.090 | 34.853 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 75 | ASN | 0 | 0.148 | -0.086 | 39.449 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 75 | ASN | 0 | -0.126 | 0.065 | 43.271 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 76 | LEU | 0 | 0.078 | -0.098 | 42.137 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 76 | LEU | 0 | -0.040 | 0.123 | 39.455 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 77 | ASP | 0 | 0.123 | -0.053 | 42.914 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 77 | ASP | -1 | -0.943 | -0.829 | 46.378 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 78 | ASP | 0 | 0.047 | -0.130 | 45.218 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 78 | ASP | -1 | -0.905 | -0.802 | 45.160 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 79 | LEU | 0 | 0.087 | -0.088 | 42.947 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 79 | LEU | 0 | -0.100 | 0.091 | 39.604 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 80 | ALA | 0 | 0.158 | -0.076 | 44.334 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 80 | ALA | 0 | -0.069 | 0.100 | 46.535 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 81 | LYS | 0 | -0.061 | -0.134 | 47.121 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 81 | LYS | 1 | 0.771 | 1.012 | 49.232 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 82 | LEU | 0 | 0.037 | -0.118 | 46.857 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 82 | LEU | 0 | -0.060 | 0.129 | 44.182 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 83 | PRO | 0 | 0.011 | -0.109 | 48.347 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 84 | GLU | 0 | 0.137 | 0.053 | 48.395 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 84 | GLU | -1 | -0.927 | -0.789 | 50.955 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 85 | GLY | 0 | 0.027 | -0.105 | 47.414 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 86 | THR | 0 | -0.019 | -0.017 | 44.859 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 86 | THR | 0 | -0.036 | 0.086 | 44.592 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 87 | LEU | 0 | 0.109 | -0.117 | 40.330 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 87 | LEU | 0 | -0.104 | 0.121 | 36.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 88 | GLY | 0 | 0.003 | -0.115 | 41.254 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 89 | HIS | 0 | 0.163 | 0.029 | 42.405 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 89 | HIS | 0 | -0.126 | 0.098 | 46.760 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 90 | VAL | 0 | 0.068 | -0.087 | 43.672 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 90 | VAL | 0 | -0.092 | 0.079 | 42.197 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 91 | TYR | 0 | 0.068 | -0.100 | 39.825 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 91 | TYR | 0 | -0.116 | 0.045 | 35.303 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 92 | ALA | 0 | 0.086 | -0.107 | 40.996 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 92 | ALA | 0 | -0.046 | 0.112 | 42.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 93 | ARG | 0 | 0.055 | -0.105 | 43.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 93 | ARG | 1 | 0.698 | 0.964 | 46.122 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 94 | GLU | 0 | 0.084 | -0.104 | 42.519 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 94 | GLU | -1 | -0.857 | -0.776 | 39.261 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 95 | MET | 0 | 0.045 | -0.099 | 40.581 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 95 | MET | 0 | -0.122 | 0.088 | 36.703 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 96 | LYS | 0 | 0.034 | -0.107 | 41.517 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 96 | LYS | 1 | 0.774 | 0.989 | 44.530 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 97 | ALA | 0 | 0.096 | -0.091 | 44.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 97 | ALA | 0 | -0.091 | 0.091 | 44.998 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 98 | ARG | 0 | 0.014 | -0.108 | 40.675 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 98 | ARG | 1 | 0.684 | 0.942 | 35.072 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 99 | GLY | 0 | 0.015 | -0.101 | 38.645 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 100 | PHE | 0 | 0.003 | -0.037 | 34.650 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 100 | PHE | 0 | -0.066 | 0.093 | 33.484 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 101 | ASP | 0 | 0.122 | -0.053 | 35.899 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 101 | ASP | -1 | -0.907 | -0.806 | 35.391 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 102 | PRO | 0 | 0.019 | -0.097 | 30.776 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 103 | TYR | 0 | -0.026 | 0.003 | 32.014 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 103 | TYR | 0 | -0.148 | 0.053 | 34.219 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 104 | PHE | 0 | 0.075 | -0.120 | 32.389 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 104 | PHE | 0 | -0.091 | 0.076 | 33.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 105 | TYR | 0 | 0.092 | -0.093 | 28.446 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 105 | TYR | 0 | -0.085 | 0.057 | 26.458 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 106 | LYS | 0 | 0.131 | -0.076 | 25.355 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 106 | LYS | 1 | 0.742 | 0.999 | 21.384 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 107 | LYS | 0 | 0.098 | -0.090 | 24.519 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 107 | LYS | 1 | 0.852 | 1.054 | 26.681 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 108 | VAL | 0 | 0.039 | -0.138 | 21.351 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 108 | VAL | 0 | -0.048 | 0.120 | 19.191 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 109 | PRO | 0 | -0.026 | -0.108 | 20.368 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 110 | VAL | 0 | 0.113 | -0.008 | 19.831 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 110 | VAL | 0 | -0.080 | 0.123 | 19.827 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 111 | VAL | 0 | 0.077 | -0.084 | 17.306 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 111 | VAL | 0 | -0.111 | 0.085 | 15.807 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 112 | ASP | 0 | 0.056 | -0.083 | 13.968 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 112 | ASP | -1 | -0.802 | -0.770 | 12.875 | -0.673 | -0.673 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 113 | ASP | 0 | 0.162 | -0.088 | 14.403 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 113 | ASP | -1 | -0.874 | -0.783 | 14.417 | -0.418 | -0.418 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 114 | ILE | 0 | 0.061 | -0.109 | 13.344 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 114 | ILE | 0 | -0.041 | 0.113 | 10.225 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 115 | SER | 0 | 0.024 | -0.099 | 14.712 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 115 | SER | 0 | -0.059 | 0.049 | 15.883 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 116 | TYR | 0 | 0.058 | -0.108 | 17.107 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 116 | TYR | 0 | -0.115 | 0.053 | 18.519 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 117 | LEU | 0 | 0.117 | -0.097 | 18.124 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 117 | LEU | 0 | -0.111 | 0.114 | 16.632 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 118 | LYS | 0 | 0.132 | -0.093 | 18.531 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 118 | LYS | 1 | 0.650 | 0.965 | 16.342 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 119 | MET | 0 | 0.051 | -0.124 | 20.032 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 119 | MET | 0 | -0.085 | 0.142 | 21.674 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 120 | LEU | 0 | 0.139 | -0.063 | 22.497 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 120 | LEU | 0 | -0.078 | 0.116 | 22.657 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 121 | TRP | 0 | 0.084 | -0.085 | 22.924 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 121 | TRP | 0 | -0.129 | 0.074 | 22.378 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 122 | ARG | 0 | 0.022 | -0.124 | 24.031 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 122 | ARG | 1 | 0.684 | 0.941 | 20.442 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 123 | SER | 0 | 0.003 | -0.107 | 25.939 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 123 | SER | 0 | -0.041 | 0.074 | 26.458 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 124 | THR | 0 | -0.040 | -0.076 | 27.860 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 124 | THR | 0 | -0.031 | 0.069 | 27.254 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 125 | HIS | 0 | 0.092 | -0.065 | 27.891 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 125 | HIS | 1 | 0.794 | 1.026 | 26.254 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 126 | ASP | 0 | 0.126 | -0.079 | 29.091 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 126 | ASP | -1 | -0.812 | -0.744 | 31.767 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 127 | ILE | 0 | 0.088 | -0.104 | 32.279 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 127 | ILE | 0 | -0.064 | 0.118 | 32.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 128 | TYR | 0 | 0.030 | -0.123 | 31.698 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 128 | TYR | 0 | -0.048 | 0.096 | 27.059 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 129 | HIS | 0 | 0.079 | -0.048 | 33.087 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 129 | HIS | 1 | 0.711 | 0.950 | 34.292 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 130 | VAL | 0 | 0.049 | -0.114 | 35.269 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 130 | VAL | 0 | -0.032 | 0.126 | 37.721 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 131 | VAL | 0 | 0.083 | -0.102 | 36.707 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 131 | VAL | 0 | -0.072 | 0.119 | 35.686 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 132 | ALA | 0 | 0.100 | -0.095 | 34.826 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 132 | ALA | 0 | -0.051 | 0.117 | 34.070 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 133 | GLY | 0 | -0.052 | -0.110 | 36.222 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 134 | PHE | 0 | 0.002 | -0.014 | 36.017 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 134 | PHE | 0 | -0.084 | 0.105 | 35.461 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 135 | ASP | 0 | 0.174 | -0.083 | 37.516 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 135 | ASP | -1 | -0.995 | -0.845 | 38.726 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 136 | THR | 0 | 0.030 | -0.085 | 36.436 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 136 | THR | 0 | -0.037 | 0.073 | 37.638 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 137 | ASN | 0 | 0.092 | -0.021 | 36.720 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 137 | ASN | 0 | -0.110 | 0.032 | 38.165 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 138 | VAL | 0 | 0.105 | -0.090 | 33.866 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 138 | VAL | 0 | -0.049 | 0.097 | 32.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 139 | PHE | 0 | 0.066 | -0.094 | 33.490 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 139 | PHE | 0 | -0.056 | 0.087 | 35.384 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 140 | GLY | 0 | 0.045 | -0.068 | 34.743 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 141 | GLU | 0 | 0.129 | 0.016 | 31.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 141 | GLU | -1 | -0.911 | -0.806 | 29.396 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 142 | ILE | 0 | 0.013 | -0.103 | 29.764 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 142 | ILE | 0 | -0.063 | 0.095 | 28.516 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 143 | GLY | 0 | 0.055 | -0.100 | 30.324 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 144 | LEU | 0 | 0.147 | 0.001 | 31.445 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 144 | LEU | 0 | -0.118 | 0.116 | 30.298 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 145 | GLN | 0 | 0.045 | -0.114 | 27.237 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 145 | GLN | 0 | -0.104 | 0.063 | 25.369 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 146 | ALA | 0 | 0.162 | -0.055 | 26.771 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 146 | ALA | 0 | -0.104 | 0.081 | 29.816 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 147 | PHE | 0 | 0.119 | -0.080 | 28.634 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 147 | PHE | 0 | -0.134 | 0.080 | 30.648 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 148 | PHE | 0 | 0.121 | -0.082 | 26.895 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 148 | PHE | 0 | -0.074 | 0.093 | 22.689 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 149 | LEU | 0 | 0.058 | -0.100 | 24.027 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 149 | LEU | 0 | -0.120 | 0.069 | 21.880 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 150 | ALA | 0 | 0.070 | -0.115 | 24.631 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 150 | ALA | 0 | -0.054 | 0.108 | 28.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 151 | GLN | 0 | -0.001 | -0.123 | 27.280 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 151 | GLN | 0 | -0.148 | 0.077 | 27.626 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 152 | THR | 0 | -0.038 | -0.093 | 23.303 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 152 | THR | 0 | -0.015 | 0.070 | 22.808 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 153 | PRO | 0 | 0.079 | -0.060 | 20.065 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 154 | ILE | 0 | 0.062 | -0.013 | 18.085 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 154 | ILE | 0 | -0.064 | 0.131 | 18.769 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 155 | PRO | 0 | 0.042 | -0.104 | 14.424 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 156 | ILE | 0 | 0.113 | -0.005 | 17.175 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 156 | ILE | 0 | -0.054 | 0.136 | 19.360 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 157 | SER | 0 | 0.066 | -0.100 | 19.849 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 157 | SER | 0 | -0.014 | 0.091 | 22.421 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 158 | VAL | 0 | 0.062 | -0.094 | 20.141 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 158 | VAL | 0 | -0.064 | 0.106 | 19.078 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 159 | MET | 0 | 0.034 | -0.110 | 20.182 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 159 | MET | 0 | -0.062 | 0.118 | 17.748 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 160 | LEU | 0 | 0.087 | -0.096 | 21.105 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 160 | LEU | 0 | -0.066 | 0.110 | 23.435 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 161 | LEU | 0 | 0.087 | -0.097 | 24.643 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 161 | LEU | 0 | -0.088 | 0.113 | 25.044 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 162 | SER | 0 | 0.009 | -0.102 | 23.256 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 162 | SER | 0 | -0.058 | 0.054 | 22.527 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 163 | PHE | 0 | 0.122 | -0.080 | 24.461 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 163 | PHE | 0 | -0.100 | 0.092 | 24.416 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 164 | GLY | 0 | -0.014 | -0.104 | 25.907 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 165 | MET | 0 | 0.106 | 0.000 | 28.569 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 165 | MET | 0 | -0.094 | 0.099 | 26.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 166 | VAL | 0 | 0.093 | -0.061 | 27.819 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 166 | VAL | 0 | -0.076 | 0.101 | 25.998 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 167 | MET | 0 | 0.078 | -0.122 | 29.191 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 167 | MET | 0 | -0.085 | 0.116 | 28.160 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 168 | ILE | 0 | 0.058 | -0.097 | 31.084 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 168 | ILE | 0 | -0.114 | 0.092 | 32.894 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 169 | SER | 0 | 0.023 | -0.111 | 32.920 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 169 | SER | 0 | -0.066 | 0.050 | 31.808 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 170 | LEU | 0 | 0.025 | -0.122 | 33.010 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 170 | LEU | 0 | -0.075 | 0.109 | 29.987 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 171 | TYR | 0 | 0.029 | -0.100 | 34.231 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 171 | TYR | 0 | -0.048 | 0.104 | 31.530 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 172 | GLN | 0 | 0.068 | -0.091 | 36.497 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 172 | GLN | 0 | -0.075 | 0.101 | 36.780 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 173 | PRO | 0 | 0.091 | -0.076 | 37.716 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 174 | THR | 0 | 0.005 | -0.021 | 38.682 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 174 | THR | 0 | -0.029 | 0.075 | 42.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 175 | ASN | 0 | 0.005 | -0.078 | 39.886 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 175 | ASN | 0 | -0.070 | 0.087 | 39.004 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 176 | PHE | 0 | 0.159 | -0.086 | 36.462 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 176 | PHE | 0 | -0.057 | 0.113 | 32.345 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 177 | LYS | 0 | 0.087 | -0.077 | 36.983 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 177 | LYS | 1 | 0.897 | 1.069 | 41.136 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 178 | ALA | 0 | 0.096 | -0.084 | 39.261 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 178 | ALA | 0 | -0.062 | 0.112 | 39.858 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 179 | LEU | 0 | 0.109 | -0.095 | 35.039 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 179 | LEU | 0 | -0.101 | 0.107 | 31.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 180 | MET | 0 | 0.086 | -0.107 | 34.492 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 180 | MET | 0 | -0.087 | 0.108 | 31.641 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 181 | THR | 0 | 0.022 | -0.056 | 35.532 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 181 | THR | 0 | -0.067 | 0.029 | 39.639 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 182 | GLU | 0 | 0.062 | -0.102 | 36.440 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 182 | GLU | -1 | -0.846 | -0.738 | 35.681 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 183 | ILE | 0 | 0.125 | -0.077 | 32.387 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 183 | ILE | 0 | -0.094 | 0.083 | 30.271 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 184 | SER | 0 | -0.005 | -0.104 | 32.967 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 184 | SER | 0 | -0.068 | 0.059 | 35.526 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 185 | ARG | 0 | 0.058 | -0.111 | 35.197 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 185 | ARG | 1 | 0.678 | 0.926 | 37.317 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 186 | GLY | 0 | 0.025 | -0.102 | 32.934 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 187 | TYR | 0 | 0.140 | 0.038 | 30.610 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 187 | TYR | 0 | -0.091 | 0.097 | 26.265 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 188 | ARG | 0 | 0.111 | -0.048 | 31.395 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 188 | ARG | 1 | 0.793 | 1.032 | 35.522 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 189 | VAL | 0 | 0.087 | -0.112 | 34.549 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 189 | VAL | 0 | -0.088 | 0.098 | 35.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 190 | GLY | 0 | 0.005 | -0.090 | 31.170 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 191 | SER | 0 | 0.044 | 0.009 | 30.760 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 191 | SER | 0 | -0.057 | 0.037 | 31.148 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 192 | HIS | 0 | 0.011 | -0.061 | 31.741 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 192 | HIS | 0 | -0.124 | 0.064 | 35.778 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 193 | THR | 0 | 0.039 | -0.093 | 33.596 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 193 | THR | 0 | -0.069 | 0.065 | 33.079 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 194 | PRO | 0 | 0.016 | -0.077 | 32.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 195 | GLY | 0 | 0.052 | 0.009 | 31.336 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 196 | LYS | 0 | 0.046 | -0.007 | 28.094 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 196 | LYS | 1 | 0.798 | 1.046 | 27.023 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 197 | LEU | 0 | 0.149 | -0.088 | 29.429 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 197 | LEU | 0 | -0.075 | 0.101 | 28.979 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 198 | ILE | 0 | 0.036 | -0.106 | 25.193 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 198 | ILE | 0 | -0.085 | 0.100 | 23.117 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 199 | ALA | 0 | 0.118 | -0.098 | 26.297 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 199 | ALA | 0 | -0.060 | 0.090 | 27.633 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 200 | GLN | 0 | -0.023 | -0.128 | 28.078 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 200 | GLN | 0 | -0.077 | 0.086 | 31.153 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 201 | LYS | 0 | 0.155 | -0.067 | 30.641 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 201 | LYS | 1 | 0.716 | 1.002 | 30.238 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 202 | TRP | 0 | 0.054 | -0.114 | 32.143 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 202 | TRP | 0 | -0.094 | 0.078 | 30.163 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 203 | ASP | 0 | 0.084 | -0.089 | 34.021 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 203 | ASP | -1 | -0.809 | -0.795 | 33.766 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 204 | GLN | 0 | -0.030 | -0.108 | 35.763 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 204 | GLN | 0 | -0.081 | 0.072 | 35.372 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 205 | LEU | 0 | 0.095 | -0.098 | 37.642 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 205 | LEU | 0 | -0.081 | 0.093 | 35.302 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 206 | TRP | 0 | 0.093 | -0.099 | 38.842 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 206 | TRP | 0 | -0.053 | 0.100 | 36.049 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 207 | ASP | 0 | 0.059 | -0.126 | 40.630 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 207 | ASP | -1 | -0.904 | -0.803 | 42.411 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 208 | VAL | 0 | 0.071 | -0.109 | 42.198 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 208 | VAL | 0 | -0.103 | 0.110 | 41.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 209 | GLN | 0 | 0.144 | -0.084 | 42.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 209 | GLN | 0 | -0.117 | 0.086 | 46.027 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 210 | VAL | 0 | 0.120 | -0.093 | 41.607 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 210 | VAL | 0 | -0.079 | 0.111 | 40.522 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 211 | SER | 0 | 0.011 | -0.070 | 41.841 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 211 | SER | 0 | -0.027 | 0.053 | 45.955 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 212 | GLU | 0 | 0.202 | -0.046 | 43.310 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 212 | GLU | -1 | -0.943 | -0.801 | 43.019 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 213 | ILE | 0 | 0.079 | -0.104 | 39.417 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 213 | ILE | 0 | -0.101 | 0.091 | 37.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 214 | ARG | 0 | 0.078 | -0.094 | 38.767 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 214 | ARG | 1 | 0.732 | 0.974 | 39.470 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 215 | GLU | 0 | 0.106 | -0.095 | 39.737 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 215 | GLU | -1 | -1.042 | -0.855 | 43.194 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 216 | ARG | 0 | 0.067 | -0.099 | 39.343 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 216 | ARG | 1 | 0.765 | 0.982 | 38.487 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 217 | LEU | 0 | -0.020 | -0.118 | 35.779 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 217 | LEU | 0 | -0.079 | 0.096 | 33.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 218 | GLY | 0 | 0.098 | -0.058 | 35.898 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 219 | VAL | 0 | 0.058 | 0.012 | 37.090 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 219 | VAL | 0 | -0.091 | 0.094 | 36.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 220 | ASN | 0 | 0.130 | -0.062 | 38.154 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 220 | ASN | 0 | -0.104 | 0.064 | 42.280 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 221 | SER | 0 | -0.209 | -0.225 | 37.968 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 221 | SER | 0 | 0.028 | 0.046 | 37.568 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |