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: N2YJQ
Calculation Name: 4IS4-A-Xray540
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 4IS4
Chain ID: A
UniProt ID: O04998
Base Structure: X-ray
Registration Date: 2025-07-10
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptHSide |
| 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 | 617 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -5083022.312929 |
|---|---|
| FMO2-HF: Nuclear repulsion | 4952524.56619 |
| FMO2-HF: Total energy | -130497.746739 |
| FMO2-MP2: Total energy | -130879.431315 |
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:1:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| -6.8 | -2.716 | 1.325 | -2.232 | -3.178 | 0.005 |
Interaction energy analysis for fragmet #1(A:1:MET)
| frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 4 | A | 2 | SER | 0 | 0.006 | 0.083 | 4.858 | -0.197 | 0.018 | -0.001 | -0.075 | -0.140 | 0.000 |
| 5 | A | 3 | LEU | 0 | 0.035 | -0.078 | 2.614 | -4.244 | -1.756 | 0.326 | -1.370 | -1.443 | 0.004 |
| 6 | A | 3 | LEU | 0 | -0.075 | 0.085 | 2.749 | -0.443 | 0.171 | 0.159 | -0.325 | -0.448 | 0.001 |
| 7 | A | 4 | LEU | 0 | 0.111 | -0.086 | 2.683 | -0.889 | -0.690 | 0.170 | 0.220 | -0.589 | -0.001 |
| 8 | A | 4 | LEU | 0 | -0.097 | 0.097 | 2.678 | -0.048 | 0.287 | 0.670 | -0.566 | -0.440 | 0.001 |
| 9 | A | 5 | SER | 0 | 0.084 | -0.096 | 3.951 | 0.145 | 0.378 | 0.001 | -0.116 | -0.118 | 0.000 |
| 10 | A | 5 | SER | 0 | -0.001 | 0.086 | 5.387 | -0.461 | -0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 6 | ASP | 0 | 0.067 | -0.084 | 5.947 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 6 | ASP | -1 | -1.014 | -0.845 | 7.386 | 0.605 | 0.605 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 7 | LEU | 0 | 0.043 | -0.103 | 7.629 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 7 | LEU | 0 | -0.094 | 0.076 | 7.441 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 8 | ILE | 0 | 0.070 | -0.086 | 8.198 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 8 | ILE | 0 | -0.103 | 0.073 | 6.608 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 9 | ASN | 0 | 0.023 | -0.070 | 9.888 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 9 | ASN | 0 | -0.169 | 0.019 | 9.170 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 10 | LEU | 0 | 0.150 | -0.089 | 11.893 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 10 | LEU | 0 | -0.109 | 0.098 | 12.197 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 11 | ASN | 0 | 0.142 | -0.070 | 14.083 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 11 | ASN | 0 | -0.126 | 0.064 | 17.984 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 12 | LEU | 0 | 0.051 | -0.112 | 17.721 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 12 | LEU | 0 | -0.040 | 0.111 | 16.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 13 | SER | 0 | -0.002 | -0.079 | 19.709 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 13 | SER | 0 | -0.054 | 0.036 | 21.943 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 14 | GLU | 0 | 0.040 | -0.120 | 21.357 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 14 | GLU | -1 | -0.932 | -0.795 | 19.671 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 15 | SER | 0 | -0.003 | -0.098 | 21.040 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 15 | SER | 0 | -0.046 | 0.056 | 19.974 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 16 | SER | 0 | -0.103 | -0.059 | 22.350 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 16 | SER | 0 | -0.074 | 0.004 | 23.176 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 17 | GLU | 0 | 0.115 | -0.074 | 25.021 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 17 | GLU | -1 | -0.862 | -0.797 | 27.955 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 18 | LYS | 0 | 0.096 | -0.074 | 25.216 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 18 | LYS | 1 | 0.771 | 0.989 | 24.371 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 19 | ILE | 0 | 0.012 | -0.110 | 23.225 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 19 | ILE | 0 | -0.081 | 0.109 | 24.216 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 20 | ILE | 0 | 0.084 | -0.095 | 20.735 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 20 | ILE | 0 | -0.074 | 0.093 | 18.279 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 21 | ALA | 0 | 0.112 | -0.088 | 22.254 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 21 | ALA | 0 | -0.100 | 0.083 | 25.694 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 22 | GLU | 0 | 0.121 | -0.121 | 21.935 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 22 | GLU | -1 | -0.843 | -0.725 | 19.479 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 23 | TYR | 0 | 0.058 | -0.100 | 23.007 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 23 | TYR | 0 | -0.144 | 0.031 | 26.264 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 24 | ILE | 0 | 0.121 | -0.096 | 25.520 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 24 | ILE | 0 | -0.093 | 0.113 | 23.590 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 25 | TRP | 0 | -0.001 | -0.097 | 26.589 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 25 | TRP | 0 | -0.099 | 0.074 | 26.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 26 | VAL | 0 | 0.155 | -0.109 | 28.505 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 26 | VAL | 0 | -0.076 | 0.145 | 30.964 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 27 | GLY | 0 | -0.011 | -0.096 | 30.170 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 28 | GLY | 0 | 0.013 | -0.015 | 31.303 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 29 | SER | 0 | -0.035 | -0.027 | 32.677 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 29 | SER | 0 | -0.053 | 0.042 | 31.465 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 30 | GLY | 0 | -0.077 | -0.122 | 33.813 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 31 | MET | 0 | 0.025 | -0.018 | 31.406 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 31 | MET | 0 | -0.092 | 0.111 | 29.620 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 32 | ASP | 0 | 0.125 | -0.050 | 27.792 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 32 | ASP | -1 | -0.790 | -0.750 | 27.604 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 33 | LEU | 0 | 0.143 | -0.086 | 25.854 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 33 | LEU | 0 | -0.075 | 0.123 | 25.160 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 34 | ARG | 0 | 0.022 | -0.134 | 24.495 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 34 | ARG | 1 | 0.767 | 1.002 | 25.539 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 35 | SER | 0 | 0.020 | -0.084 | 23.057 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 35 | SER | 0 | -0.026 | 0.056 | 21.274 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 36 | LYS | 0 | 0.101 | -0.040 | 21.611 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 36 | LYS | 1 | 0.738 | 0.989 | 23.084 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 37 | ALA | 0 | 0.124 | -0.091 | 20.784 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 37 | ALA | 0 | -0.068 | 0.118 | 20.123 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 38 | ARG | 0 | -0.009 | -0.093 | 22.187 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 38 | ARG | 1 | 0.818 | 1.028 | 25.739 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 39 | THR | 0 | 0.118 | -0.081 | 23.985 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 39 | THR | 0 | -0.045 | 0.085 | 22.421 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 40 | LEU | 0 | -0.035 | -0.130 | 24.662 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 40 | LEU | 0 | -0.048 | 0.118 | 26.997 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 41 | PRO | 0 | 0.000 | -0.112 | 27.101 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 42 | GLY | 0 | 0.043 | 0.026 | 28.899 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 43 | PRO | 0 | 0.010 | -0.011 | 27.905 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 44 | VAL | 0 | 0.014 | -0.030 | 29.217 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 44 | VAL | 0 | -0.044 | 0.125 | 30.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 45 | SER | 0 | 0.062 | -0.049 | 30.167 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 45 | SER | 0 | -0.036 | 0.060 | 32.610 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 46 | ASP | 0 | 0.195 | -0.077 | 32.689 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 46 | ASP | -1 | -0.949 | -0.762 | 36.393 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 47 | PRO | 0 | 0.032 | -0.098 | 33.497 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 48 | SER | 0 | 0.069 | 0.027 | 34.515 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 48 | SER | 0 | -0.068 | 0.028 | 38.903 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 49 | LYS | 0 | 0.022 | -0.090 | 36.193 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 49 | LYS | 1 | 0.775 | 1.011 | 35.944 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 50 | LEU | 0 | 0.046 | -0.135 | 32.564 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 50 | LEU | 0 | -0.065 | 0.116 | 30.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 51 | PRO | 0 | -0.057 | -0.098 | 31.674 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 52 | LYS | 0 | 0.154 | 0.044 | 32.936 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 52 | LYS | 1 | 0.851 | 1.062 | 35.934 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 53 | TRP | 0 | 0.014 | -0.064 | 30.887 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 53 | TRP | 0 | -0.078 | 0.056 | 24.744 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 54 | ASN | 0 | 0.085 | -0.117 | 31.324 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 54 | ASN | 0 | -0.079 | 0.070 | 32.084 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 55 | TYR | 0 | 0.034 | -0.058 | 30.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 55 | TYR | 0 | -0.089 | 0.037 | 29.466 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 56 | ASP | 0 | 0.153 | -0.080 | 30.413 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 56 | ASP | -1 | -0.839 | -0.712 | 30.665 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 57 | GLY | 0 | 0.045 | -0.099 | 31.624 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 58 | SER | 0 | -0.010 | -0.017 | 34.066 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 58 | SER | 0 | 0.002 | 0.079 | 34.361 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 59 | SER | 0 | -0.050 | -0.110 | 30.099 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 59 | SER | 0 | -0.067 | 0.061 | 29.108 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 60 | THR | 0 | -0.072 | -0.113 | 29.688 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 60 | THR | 0 | -0.034 | 0.038 | 28.658 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 61 | ASN | 0 | 0.131 | -0.021 | 31.134 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 61 | ASN | 0 | -0.129 | 0.051 | 33.946 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 62 | GLN | 0 | 0.073 | -0.118 | 34.659 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 62 | GLN | 0 | -0.042 | 0.110 | 32.776 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 63 | ALA | 0 | 0.078 | -0.130 | 36.223 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 63 | ALA | 0 | -0.063 | 0.148 | 37.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 64 | PRO | 0 | -0.052 | -0.116 | 38.262 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 65 | GLY | 0 | -0.013 | -0.007 | 40.487 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 66 | GLN | 0 | 0.174 | 0.035 | 41.320 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 66 | GLN | 0 | -0.130 | 0.067 | 43.361 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 67 | ASP | 0 | 0.048 | -0.129 | 41.013 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 67 | ASP | -1 | -0.986 | -0.825 | 40.281 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 68 | SER | 0 | 0.058 | -0.095 | 36.919 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 68 | SER | 0 | -0.095 | 0.053 | 35.227 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 69 | GLU | 0 | 0.098 | -0.100 | 35.684 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 69 | GLU | -1 | -0.918 | -0.808 | 35.651 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 70 | VAL | 0 | 0.057 | -0.108 | 35.051 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 70 | VAL | 0 | -0.088 | 0.118 | 34.416 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 71 | ILE | 0 | 0.047 | -0.120 | 34.557 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 71 | ILE | 0 | -0.096 | 0.108 | 36.584 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 72 | LEU | 0 | 0.076 | -0.124 | 32.171 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 72 | LEU | 0 | -0.080 | 0.107 | 29.485 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 73 | TYR | 0 | 0.026 | -0.149 | 33.668 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 73 | TYR | 0 | -0.046 | 0.106 | 36.638 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 74 | PRO | 0 | 0.035 | -0.076 | 32.002 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 75 | GLN | 0 | 0.015 | -0.026 | 32.976 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 75 | GLN | 0 | -0.134 | 0.064 | 34.309 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 76 | ALA | 0 | 0.075 | -0.089 | 32.477 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 76 | ALA | 0 | -0.045 | 0.110 | 32.035 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 77 | ILE | 0 | 0.034 | -0.097 | 29.250 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 77 | ILE | 0 | -0.105 | 0.073 | 28.393 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 78 | PHE | 0 | 0.041 | -0.088 | 27.045 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 78 | PHE | 0 | -0.067 | 0.091 | 26.377 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 79 | LYS | 0 | 0.137 | -0.101 | 24.679 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 79 | LYS | 1 | 0.801 | 1.046 | 23.309 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 80 | ASP | 0 | 0.115 | -0.093 | 20.685 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 80 | ASP | -1 | -0.904 | -0.795 | 18.699 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 81 | PRO | 0 | -0.053 | -0.111 | 19.005 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 82 | PHE | 0 | 0.069 | 0.029 | 15.240 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 82 | PHE | 0 | -0.117 | 0.072 | 14.692 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 83 | ARG | 0 | 0.157 | -0.077 | 14.653 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 83 | ARG | 1 | 0.706 | 0.952 | 15.694 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 84 | GLN | 0 | -0.019 | -0.069 | 16.457 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 84 | GLN | 0 | -0.046 | 0.096 | 16.370 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 85 | GLY | 0 | 0.087 | -0.076 | 18.737 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 86 | ASN | 0 | 0.048 | 0.026 | 21.263 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 86 | ASN | 0 | -0.090 | 0.056 | 24.501 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 87 | ASN | 0 | 0.107 | -0.057 | 20.743 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 87 | ASN | 0 | -0.046 | 0.069 | 19.065 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 88 | ILE | 0 | 0.010 | -0.097 | 22.231 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 88 | ILE | 0 | -0.038 | 0.102 | 25.462 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 89 | LEU | 0 | 0.045 | -0.126 | 23.377 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 89 | LEU | 0 | -0.055 | 0.117 | 20.844 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 90 | VAL | 0 | 0.101 | -0.099 | 24.627 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 90 | VAL | 0 | -0.092 | 0.099 | 26.640 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 91 | ILE | 0 | 0.142 | -0.083 | 27.839 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 91 | ILE | 0 | -0.082 | 0.123 | 27.533 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 92 | CYS | 0 | 0.096 | -0.110 | 29.813 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 92 | CYS | 0 | -0.137 | 0.080 | 29.634 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 93 | ASP | 0 | 0.090 | -0.031 | 32.080 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 93 | ASP | -1 | -0.791 | -0.770 | 35.778 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 94 | VAL | 0 | -0.020 | -0.149 | 34.969 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 94 | VAL | 0 | -0.065 | 0.124 | 33.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 95 | TYR | 0 | 0.099 | -0.125 | 36.066 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 95 | TYR | 0 | -0.135 | 0.048 | 37.825 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 96 | THR | 0 | 0.037 | -0.071 | 38.497 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 96 | THR | 0 | -0.017 | 0.075 | 41.710 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 97 | PRO | 0 | 0.068 | -0.072 | 39.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 98 | ALA | 0 | 0.050 | -0.010 | 41.542 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 98 | ALA | 0 | -0.078 | 0.107 | 45.662 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 99 | GLY | 0 | -0.038 | -0.113 | 42.998 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 100 | GLU | 0 | 0.036 | -0.037 | 43.974 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 100 | GLU | -1 | -0.967 | -0.823 | 44.992 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 101 | PRO | 0 | -0.016 | -0.107 | 41.011 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 102 | LEU | 0 | 0.068 | -0.021 | 39.096 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 102 | LEU | 0 | -0.048 | 0.122 | 36.560 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 103 | PRO | 0 | 0.040 | -0.080 | 40.527 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 104 | THR | 0 | -0.039 | -0.010 | 37.194 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 104 | THR | 0 | 0.016 | 0.103 | 36.276 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 105 | ASN | 0 | 0.112 | -0.073 | 37.016 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 105 | ASN | 0 | -0.137 | 0.066 | 38.038 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 106 | LYS | 0 | 0.039 | -0.137 | 37.806 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 106 | LYS | 1 | 0.874 | 1.079 | 38.228 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 107 | ARG | 0 | 0.098 | -0.094 | 37.872 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 107 | ARG | 1 | 0.720 | 0.987 | 35.789 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 108 | TYR | 0 | 0.127 | -0.069 | 39.058 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 108 | TYR | 0 | -0.061 | 0.111 | 41.486 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 109 | ASN | 0 | 0.082 | -0.085 | 41.980 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 109 | ASN | 0 | -0.081 | 0.075 | 44.634 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 110 | ALA | 0 | 0.119 | -0.082 | 41.855 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 110 | ALA | 0 | -0.065 | 0.106 | 41.058 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 111 | ALA | 0 | 0.082 | -0.110 | 42.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 111 | ALA | 0 | -0.060 | 0.112 | 41.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 112 | LYS | 0 | 0.052 | -0.091 | 43.184 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 112 | LYS | 1 | 0.836 | 1.047 | 46.417 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 113 | ILE | 0 | 0.092 | -0.088 | 46.395 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 113 | ILE | 0 | -0.112 | 0.094 | 46.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 114 | PHE | 0 | 0.050 | -0.109 | 44.504 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 114 | PHE | 0 | -0.099 | 0.084 | 41.883 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 115 | SER | 0 | 0.065 | -0.093 | 45.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 115 | SER | 0 | -0.068 | 0.052 | 45.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 116 | HIS | 0 | 0.065 | -0.077 | 47.569 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 116 | HIS | 0 | -0.094 | 0.106 | 50.930 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 117 | PRO | 0 | -0.023 | -0.123 | 50.749 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 118 | ASP | 0 | 0.113 | -0.010 | 53.067 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 118 | ASP | -1 | -0.973 | -0.853 | 54.331 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 119 | VAL | 0 | 0.037 | -0.105 | 49.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 119 | VAL | 0 | -0.085 | 0.112 | 47.744 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 120 | ALA | 0 | 0.136 | -0.098 | 48.210 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 120 | ALA | 0 | -0.087 | 0.112 | 48.624 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 121 | ALA | 0 | 0.038 | -0.135 | 49.232 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 121 | ALA | 0 | -0.069 | 0.117 | 53.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 122 | GLU | 0 | 0.059 | -0.097 | 51.279 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 122 | GLU | -1 | -0.863 | -0.736 | 50.858 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 123 | VAL | 0 | -0.013 | -0.118 | 47.067 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 123 | VAL | 0 | -0.104 | 0.082 | 45.744 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 124 | PRO | 0 | 0.074 | -0.078 | 45.103 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 125 | TRP | 0 | 0.114 | -0.003 | 42.585 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 125 | TRP | 0 | -0.104 | 0.071 | 42.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 126 | TYR | 0 | 0.004 | -0.126 | 40.498 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 126 | TYR | 0 | -0.077 | 0.077 | 39.756 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 127 | GLY | 0 | 0.028 | -0.094 | 38.130 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 128 | ILE | 0 | 0.084 | 0.050 | 36.216 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 128 | ILE | 0 | -0.094 | 0.067 | 34.646 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 129 | GLU | 0 | 0.099 | -0.124 | 34.591 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 129 | GLU | -1 | -0.921 | -0.791 | 35.761 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 130 | GLN | 0 | 0.132 | -0.091 | 31.341 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 130 | GLN | 0 | -0.204 | 0.053 | 29.713 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 131 | GLU | 0 | 0.180 | -0.096 | 30.721 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 131 | GLU | -1 | -0.872 | -0.757 | 31.640 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 132 | TYR | 0 | 0.008 | -0.104 | 27.715 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 132 | TYR | 0 | -0.049 | 0.097 | 24.208 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 133 | THR | 0 | 0.036 | -0.090 | 27.313 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 133 | THR | 0 | -0.013 | 0.080 | 27.150 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 134 | LEU | 0 | 0.058 | -0.082 | 22.918 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 134 | LEU | 0 | -0.085 | 0.090 | 21.175 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 135 | LEU | 0 | 0.060 | -0.130 | 22.971 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 135 | LEU | 0 | -0.080 | 0.105 | 23.962 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 136 | GLN | 0 | 0.175 | -0.079 | 20.721 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 136 | GLN | 0 | -0.128 | 0.101 | 19.803 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 137 | LYS | 0 | 0.107 | -0.071 | 19.024 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 137 | LYS | 1 | 0.885 | 1.062 | 16.507 | 0.390 | 0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 138 | ASP | 0 | -0.011 | -0.132 | 20.440 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 138 | ASP | -1 | -0.891 | -0.833 | 20.443 | -0.306 | -0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 139 | THR | 0 | 0.001 | -0.081 | 22.023 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 139 | THR | 0 | -0.097 | 0.049 | 23.738 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 140 | ASN | 0 | 0.131 | -0.043 | 24.328 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 140 | ASN | 0 | -0.127 | 0.063 | 26.269 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 141 | TRP | 0 | 0.098 | -0.094 | 25.872 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 141 | TRP | 0 | -0.097 | 0.082 | 27.191 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 142 | PRO | 0 | 0.027 | -0.097 | 25.221 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 143 | LEU | 0 | 0.081 | -0.017 | 22.729 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 143 | LEU | 0 | -0.092 | 0.108 | 20.035 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 144 | GLY | 0 | 0.027 | -0.105 | 23.718 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 145 | TRP | 0 | 0.075 | -0.021 | 25.781 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 145 | TRP | 0 | -0.076 | 0.118 | 28.038 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 146 | PRO | 0 | -0.024 | -0.096 | 28.610 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 147 | ILE | 0 | 0.076 | 0.006 | 30.942 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 147 | ILE | 0 | -0.077 | 0.109 | 30.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 148 | GLY | 0 | -0.020 | -0.127 | 31.946 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 149 | GLY | 0 | -0.032 | -0.012 | 33.934 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 150 | TYR | 0 | 0.109 | -0.002 | 34.988 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 150 | TYR | 0 | -0.091 | 0.077 | 36.174 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 151 | PRO | 0 | -0.029 | -0.090 | 33.983 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 152 | GLY | 0 | -0.002 | 0.002 | 37.026 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 153 | PRO | 0 | -0.013 | -0.025 | 37.934 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 154 | GLN | 0 | 0.107 | 0.023 | 39.615 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 154 | GLN | 0 | -0.128 | 0.079 | 40.623 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 155 | GLY | 0 | -0.001 | -0.117 | 36.698 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 156 | PRO | 0 | -0.044 | -0.026 | 33.134 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 157 | TYR | 0 | 0.109 | 0.007 | 31.160 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 157 | TYR | 0 | -0.056 | 0.108 | 29.887 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 158 | TYR | 0 | 0.160 | -0.048 | 31.225 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 158 | TYR | 0 | -0.145 | 0.080 | 35.245 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 159 | CYS | 0 | 0.010 | -0.148 | 31.633 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 159 | CYS | 0 | -0.130 | 0.124 | 33.581 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 160 | GLY | 0 | 0.049 | -0.066 | 31.173 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 161 | ILE | 0 | 0.032 | -0.049 | 28.177 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 161 | ILE | 0 | -0.057 | 0.120 | 28.753 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 162 | GLY | 0 | 0.029 | -0.107 | 26.872 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 163 | ALA | 0 | 0.163 | 0.036 | 24.091 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 163 | ALA | 0 | -0.086 | 0.094 | 23.897 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 164 | ASP | 0 | 0.024 | -0.096 | 24.964 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 164 | ASP | -1 | -0.892 | -0.823 | 28.711 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 165 | LYS | 0 | 0.004 | -0.110 | 27.429 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 165 | LYS | 1 | 0.753 | 0.987 | 29.378 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 166 | ALA | 0 | 0.162 | -0.062 | 26.212 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 166 | ALA | 0 | -0.122 | 0.088 | 25.692 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 167 | TYR | 0 | 0.042 | -0.124 | 22.952 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 167 | TYR | 0 | -0.105 | 0.119 | 23.086 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 168 | GLY | 0 | 0.115 | -0.073 | 19.856 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 169 | ARG | 0 | 0.152 | 0.022 | 20.733 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 169 | ARG | 1 | 0.813 | 1.051 | 21.831 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 170 | ASP | 0 | 0.035 | -0.117 | 16.926 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 170 | ASP | -1 | -0.949 | -0.835 | 16.084 | -0.536 | -0.536 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 171 | ILE | 0 | 0.086 | -0.085 | 17.802 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 171 | ILE | 0 | -0.075 | 0.097 | 17.106 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 172 | VAL | 0 | 0.085 | -0.104 | 18.640 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 172 | VAL | 0 | -0.075 | 0.111 | 22.517 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 173 | ASP | 0 | 0.105 | -0.101 | 21.371 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 173 | ASP | -1 | -1.018 | -0.872 | 20.598 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 174 | ALA | 0 | 0.044 | -0.132 | 17.668 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 174 | ALA | 0 | -0.060 | 0.120 | 17.082 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 175 | HIS | 0 | 0.104 | -0.100 | 19.030 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 175 | HIS | 0 | -0.116 | 0.079 | 21.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 176 | TYR | 0 | 0.134 | -0.068 | 21.528 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 176 | TYR | 0 | -0.104 | 0.095 | 24.295 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 177 | LYS | 0 | 0.047 | -0.103 | 22.068 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 177 | LYS | 1 | 0.892 | 1.059 | 20.999 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 178 | ALA | 0 | 0.079 | -0.087 | 20.427 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 178 | ALA | 0 | -0.046 | 0.109 | 19.500 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 179 | CYS | 0 | 0.137 | -0.103 | 21.441 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 179 | CYS | 0 | -0.131 | 0.087 | 24.080 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 180 | LEU | 0 | 0.060 | -0.092 | 24.864 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 180 | LEU | 0 | -0.112 | 0.084 | 25.845 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 181 | TYR | 0 | 0.099 | -0.085 | 23.067 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 181 | TYR | 0 | -0.155 | 0.053 | 20.700 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 182 | ALA | 0 | 0.026 | -0.128 | 24.419 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 182 | ALA | 0 | -0.055 | 0.117 | 23.589 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 183 | GLY | 0 | -0.046 | -0.117 | 25.083 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 184 | ILE | 0 | 0.086 | -0.002 | 27.998 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 184 | ILE | 0 | -0.125 | 0.093 | 26.184 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 185 | ASN | 0 | 0.113 | -0.042 | 29.627 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 185 | ASN | 0 | -0.147 | 0.056 | 33.958 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 186 | ILE | 0 | 0.131 | -0.090 | 29.358 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 186 | ILE | 0 | -0.157 | 0.078 | 26.889 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 187 | SER | 0 | -0.033 | -0.126 | 30.877 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 187 | SER | 0 | -0.050 | 0.080 | 34.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 188 | GLY | 0 | -0.012 | -0.119 | 31.259 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 189 | ILE | 0 | 0.063 | -0.011 | 28.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 189 | ILE | 0 | -0.072 | 0.104 | 25.924 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 190 | ASN | 0 | -0.026 | -0.106 | 29.851 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 190 | ASN | 0 | -0.074 | 0.065 | 32.279 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 191 | GLY | 0 | 0.064 | -0.085 | 29.008 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 192 | GLU | 0 | 0.123 | 0.013 | 29.826 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 192 | GLU | -1 | -0.919 | -0.821 | 31.307 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 193 | VAL | 0 | 0.091 | -0.108 | 31.980 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 193 | VAL | 0 | -0.096 | 0.082 | 35.686 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 194 | MET | 0 | 0.023 | -0.130 | 32.356 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 194 | MET | 0 | -0.116 | 0.105 | 31.853 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 195 | PRO | 0 | -0.012 | -0.097 | 28.055 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 196 | GLY | 0 | 0.050 | 0.005 | 25.272 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 197 | GLN | 0 | 0.128 | 0.006 | 26.130 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 197 | GLN | 0 | -0.149 | 0.076 | 30.072 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 198 | TRP | 0 | -0.037 | -0.093 | 27.093 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 198 | TRP | 0 | -0.101 | 0.059 | 24.677 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 199 | GLU | 0 | 0.149 | -0.111 | 28.522 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 199 | GLU | -1 | -0.918 | -0.787 | 31.801 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 200 | PHE | 0 | 0.051 | -0.057 | 28.789 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 200 | PHE | 0 | -0.082 | 0.058 | 26.922 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 201 | GLN | 0 | 0.083 | -0.105 | 30.048 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 201 | GLN | 0 | -0.107 | 0.087 | 33.129 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 202 | VAL | 0 | 0.062 | -0.113 | 32.145 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 202 | VAL | 0 | -0.063 | 0.114 | 30.787 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 203 | GLY | 0 | -0.018 | -0.081 | 33.460 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 204 | PRO | 0 | -0.040 | -0.033 | 36.488 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 205 | SER | 0 | 0.026 | 0.006 | 37.045 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 205 | SER | 0 | -0.037 | 0.078 | 35.213 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 206 | VAL | 0 | 0.117 | -0.113 | 38.368 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 206 | VAL | 0 | -0.117 | 0.106 | 40.204 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 207 | GLY | 0 | 0.009 | -0.110 | 40.248 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 208 | ILE | 0 | 0.073 | 0.000 | 39.808 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 208 | ILE | 0 | -0.084 | 0.104 | 38.469 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 209 | SER | 0 | 0.045 | -0.102 | 36.213 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 209 | SER | 0 | -0.016 | 0.068 | 35.887 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 210 | ALA | 0 | 0.118 | -0.065 | 34.984 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 210 | ALA | 0 | -0.080 | 0.114 | 37.686 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 211 | GLY | 0 | -0.017 | -0.111 | 34.750 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 212 | ASP | 0 | 0.107 | 0.017 | 32.909 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 212 | ASP | -1 | -0.843 | -0.746 | 32.877 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 213 | GLU | 0 | 0.076 | -0.098 | 30.775 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 213 | GLU | -1 | -0.848 | -0.769 | 31.735 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 214 | ILE | 0 | 0.043 | -0.093 | 29.807 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 214 | ILE | 0 | -0.069 | 0.116 | 31.666 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 215 | TRP | 0 | 0.112 | -0.109 | 29.461 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 215 | TRP | 0 | -0.103 | 0.086 | 29.404 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 216 | ALA | 0 | 0.137 | -0.092 | 26.689 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 216 | ALA | 0 | -0.064 | 0.103 | 26.865 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 217 | ALA | 0 | 0.083 | -0.106 | 25.232 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 217 | ALA | 0 | -0.067 | 0.106 | 27.436 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 218 | ARG | 0 | 0.061 | -0.099 | 24.999 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 218 | ARG | 1 | 0.710 | 0.969 | 27.018 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 219 | TYR | 0 | 0.103 | -0.060 | 23.611 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 219 | TYR | 0 | -0.089 | 0.054 | 20.199 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 220 | ILE | 0 | 0.078 | -0.086 | 20.747 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 220 | ILE | 0 | -0.090 | 0.083 | 20.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 221 | LEU | 0 | 0.110 | -0.111 | 19.887 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 221 | LEU | 0 | -0.073 | 0.112 | 21.382 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 222 | GLU | 0 | 0.135 | -0.109 | 20.066 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 222 | GLU | -1 | -1.019 | -0.844 | 20.874 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 223 | ARG | 0 | 0.031 | -0.125 | 17.433 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 223 | ARG | 1 | 0.711 | 0.975 | 14.659 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 224 | ILE | 0 | 0.060 | -0.087 | 15.685 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 224 | ILE | 0 | -0.103 | 0.086 | 16.212 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 225 | THR | 0 | 0.035 | -0.099 | 15.587 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 225 | THR | 0 | -0.018 | 0.089 | 18.958 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 226 | GLU | 0 | 0.072 | -0.098 | 15.564 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 226 | GLU | -1 | -0.928 | -0.795 | 13.824 | -0.384 | -0.384 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 227 | ILE | 0 | 0.060 | -0.089 | 11.651 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 227 | ILE | 0 | -0.116 | 0.076 | 10.311 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 228 | ALA | 0 | 0.012 | -0.131 | 11.248 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 228 | ALA | 0 | -0.080 | 0.104 | 14.602 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 229 | GLY | 0 | -0.054 | -0.117 | 13.411 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 230 | VAL | 0 | 0.027 | -0.013 | 14.397 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 230 | VAL | 0 | -0.098 | 0.082 | 16.418 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 231 | VAL | 0 | 0.131 | -0.087 | 17.953 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 231 | VAL | 0 | -0.109 | 0.102 | 20.395 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 232 | VAL | 0 | 0.073 | -0.115 | 21.174 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 232 | VAL | 0 | -0.057 | 0.132 | 22.258 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 233 | SER | 0 | 0.067 | -0.072 | 23.610 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 233 | SER | 0 | -0.037 | 0.069 | 27.455 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 234 | PHE | 0 | 0.069 | -0.077 | 27.357 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 234 | PHE | 0 | -0.068 | 0.094 | 25.572 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 235 | ASP | 0 | 0.084 | -0.096 | 30.085 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 235 | ASP | -1 | -0.906 | -0.824 | 31.924 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 236 | PRO | 0 | -0.031 | -0.113 | 32.686 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 237 | LYS | 0 | 0.036 | -0.017 | 35.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 237 | LYS | 1 | 0.742 | 1.012 | 36.408 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 238 | PRO | 0 | 0.015 | -0.084 | 29.692 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 239 | ILE | 0 | -0.004 | -0.022 | 30.993 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 239 | ILE | 0 | -0.013 | 0.138 | 30.308 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 240 | PRO | 0 | -0.022 | -0.130 | 32.976 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 241 | GLY | 0 | 0.007 | 0.008 | 36.169 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 242 | ASP | 0 | 0.122 | -0.005 | 38.886 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 242 | ASP | -1 | -0.972 | -0.839 | 40.003 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 243 | TRP | 0 | 0.063 | -0.130 | 36.551 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 243 | TRP | 0 | -0.020 | 0.127 | 30.467 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 244 | ASN | 0 | 0.009 | -0.084 | 36.333 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 244 | ASN | 0 | -0.092 | 0.091 | 36.950 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 245 | GLY | 0 | 0.060 | -0.057 | 35.519 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 246 | ALA | 0 | 0.077 | 0.004 | 35.963 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 246 | ALA | 0 | -0.112 | 0.077 | 36.495 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 247 | GLY | 0 | -0.043 | -0.146 | 36.690 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 248 | ALA | 0 | 0.126 | 0.017 | 35.513 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 248 | ALA | 0 | -0.084 | 0.099 | 35.320 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 249 | HIS | 0 | 0.052 | -0.131 | 37.029 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 249 | HIS | 0 | -0.074 | 0.097 | 38.959 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 250 | THR | 0 | 0.048 | -0.068 | 38.849 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 250 | THR | 0 | -0.076 | 0.051 | 39.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 251 | ASN | 0 | 0.133 | -0.056 | 40.854 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 251 | ASN | 0 | -0.149 | 0.065 | 39.934 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 252 | TYR | 0 | 0.089 | -0.110 | 42.418 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 252 | TYR | 0 | -0.074 | 0.099 | 44.965 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 253 | SER | 0 | 0.053 | -0.083 | 45.177 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 253 | SER | 0 | -0.021 | 0.098 | 45.500 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 254 | THR | 0 | -0.031 | -0.100 | 46.986 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 254 | THR | 0 | -0.020 | 0.062 | 49.751 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 255 | LYS | 0 | 0.165 | -0.070 | 49.634 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 255 | LYS | 1 | 0.754 | 1.005 | 50.163 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 256 | SER | 0 | 0.035 | -0.106 | 50.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 256 | SER | 0 | -0.064 | 0.044 | 54.660 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 257 | MET | 0 | 0.028 | -0.099 | 51.904 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 257 | MET | 0 | -0.122 | 0.092 | 50.959 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 258 | ARG | 0 | 0.149 | -0.055 | 49.868 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 258 | ARG | 1 | 0.749 | 1.014 | 46.471 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 259 | GLU | 0 | 0.101 | -0.082 | 51.079 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 259 | GLU | -1 | -0.944 | -0.801 | 52.679 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 260 | ASN | 0 | 0.065 | -0.096 | 54.276 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 260 | ASN | 0 | -0.085 | 0.077 | 56.973 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 261 | GLY | 0 | 0.029 | -0.085 | 57.618 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 262 | GLY | 0 | 0.022 | 0.006 | 55.133 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 263 | TYR | 0 | 0.113 | 0.010 | 55.582 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 263 | TYR | 0 | -0.096 | 0.057 | 55.111 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 264 | GLU | 0 | 0.082 | -0.112 | 56.589 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 264 | GLU | -1 | -0.898 | -0.806 | 60.562 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 265 | ILE | 0 | -0.023 | -0.142 | 56.610 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 265 | ILE | 0 | -0.044 | 0.105 | 55.139 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 266 | ILE | 0 | 0.087 | -0.077 | 53.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 266 | ILE | 0 | -0.079 | 0.102 | 51.630 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 267 | LYS | 0 | 0.136 | -0.087 | 54.597 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 267 | LYS | 1 | 0.765 | 1.013 | 57.428 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 268 | LYS | 0 | 0.126 | -0.062 | 57.195 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 268 | LYS | 1 | 0.816 | 1.055 | 58.547 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 269 | ALA | 0 | 0.074 | -0.098 | 53.725 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 269 | ALA | 0 | -0.053 | 0.101 | 52.810 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 270 | ILE | 0 | 0.102 | -0.098 | 53.410 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 270 | ILE | 0 | -0.105 | 0.098 | 52.251 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 271 | GLU | 0 | 0.045 | -0.139 | 54.384 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 271 | GLU | -1 | -0.994 | -0.848 | 58.892 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 272 | LYS | 0 | 0.069 | -0.096 | 56.265 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 272 | LYS | 1 | 0.727 | 0.999 | 55.551 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 273 | LEU | 0 | 0.018 | -0.141 | 52.273 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 273 | LEU | 0 | -0.075 | 0.109 | 49.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 274 | GLY | 0 | 0.025 | -0.103 | 53.308 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 275 | LEU | 0 | 0.002 | -0.026 | 55.430 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 275 | LEU | 0 | -0.082 | 0.086 | 57.792 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 276 | ARG | 0 | 0.114 | -0.073 | 53.715 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 276 | ARG | 1 | 0.764 | 0.993 | 52.058 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 277 | HIS | 0 | -0.023 | -0.086 | 51.596 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 277 | HIS | 0 | 0.002 | 0.091 | 50.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 278 | LYS | 0 | 0.085 | -0.078 | 50.804 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 278 | LYS | 1 | 0.888 | 1.067 | 53.222 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 279 | GLU | 0 | 0.134 | -0.105 | 50.761 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 279 | GLU | -1 | -0.899 | -0.802 | 51.303 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 280 | HIS | 0 | 0.081 | -0.089 | 47.846 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 280 | HIS | 0 | -0.099 | 0.078 | 47.347 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 281 | ILE | 0 | 0.049 | -0.074 | 46.417 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 281 | ILE | 0 | -0.121 | 0.070 | 46.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 282 | ALA | 0 | 0.109 | -0.095 | 46.018 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 282 | ALA | 0 | -0.092 | 0.095 | 48.816 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 283 | ALA | 0 | 0.040 | -0.097 | 45.104 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 283 | ALA | 0 | -0.081 | 0.092 | 44.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 284 | TYR | 0 | -0.146 | -0.163 | 41.077 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 284 | TYR | 0 | 0.035 | 0.009 | 42.375 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 302 | ASN | 0 | 0.193 | 0.093 | 49.767 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 302 | ASN | 0 | -0.145 | 0.028 | 50.808 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 303 | THR | 0 | 0.024 | -0.116 | 51.766 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 303 | THR | 0 | -0.020 | 0.089 | 54.983 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 304 | PHE | 0 | 0.031 | -0.105 | 53.040 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 304 | PHE | 0 | -0.016 | 0.134 | 51.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 305 | SER | 0 | 0.009 | -0.093 | 52.883 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 305 | SER | 0 | -0.009 | 0.086 | 53.116 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 306 | TRP | 0 | 0.007 | -0.118 | 52.300 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 306 | TRP | 0 | -0.024 | 0.122 | 52.850 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 307 | GLY | 0 | 0.049 | -0.074 | 52.319 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 308 | VAL | 0 | 0.041 | -0.016 | 51.521 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 308 | VAL | 0 | -0.033 | 0.147 | 51.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 309 | ALA | 0 | 0.095 | -0.107 | 49.443 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 309 | ALA | 0 | -0.092 | 0.085 | 50.223 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 310 | ASN | 0 | 0.053 | -0.082 | 50.493 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 310 | ASN | 0 | -0.032 | 0.104 | 52.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 311 | ARG | 0 | 0.034 | -0.106 | 47.500 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 311 | ARG | 1 | 0.953 | 1.092 | 44.092 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 312 | GLY | 0 | -0.030 | -0.104 | 47.540 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 313 | ALA | 0 | 0.125 | -0.012 | 48.312 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 313 | ALA | 0 | -0.081 | 0.121 | 49.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 314 | SER | 0 | -0.020 | -0.094 | 48.114 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 314 | SER | 0 | -0.005 | 0.060 | 49.678 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 315 | VAL | 0 | 0.030 | -0.092 | 47.673 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 315 | VAL | 0 | -0.086 | 0.100 | 48.697 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 316 | ARG | 0 | 0.126 | -0.093 | 47.839 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 316 | ARG | 1 | 0.783 | 1.052 | 45.565 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 317 | VAL | 0 | 0.059 | -0.122 | 48.364 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 317 | VAL | 0 | -0.074 | 0.128 | 51.912 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 318 | GLY | 0 | 0.063 | -0.074 | 48.393 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 319 | ARG | 0 | 0.113 | 0.018 | 49.192 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 319 | ARG | 1 | 0.894 | 1.050 | 49.294 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 320 | ASP | 0 | 0.059 | -0.094 | 48.986 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 320 | ASP | -1 | -0.903 | -0.809 | 47.987 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 321 | THR | 0 | 0.038 | -0.075 | 50.190 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 321 | THR | 0 | -0.043 | 0.057 | 49.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 322 | GLU | 0 | 0.156 | -0.071 | 51.582 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 322 | GLU | -1 | -0.983 | -0.826 | 53.581 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 323 | LYS | 0 | 0.044 | -0.087 | 54.067 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 323 | LYS | 1 | 0.697 | 0.987 | 50.395 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 324 | ASP | 0 | 0.059 | -0.130 | 53.520 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 324 | ASP | -1 | -0.997 | -0.842 | 51.849 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 325 | GLY | 0 | 0.010 | -0.102 | 54.899 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 326 | LYS | 0 | -0.019 | -0.058 | 53.764 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 326 | LYS | 1 | 0.835 | 1.070 | 52.632 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 327 | GLY | 0 | 0.007 | -0.097 | 49.551 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 328 | TYR | 0 | 0.080 | -0.001 | 46.811 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 328 | TYR | 0 | -0.100 | 0.078 | 43.794 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 329 | PHE | 0 | 0.056 | -0.056 | 47.630 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 329 | PHE | 0 | -0.081 | 0.064 | 48.657 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 330 | GLU | 0 | 0.199 | -0.102 | 44.708 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 330 | GLU | -1 | -0.866 | -0.759 | 42.431 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 331 | ASP | 0 | 0.114 | -0.103 | 44.388 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 331 | ASP | -1 | -0.839 | -0.729 | 44.422 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 332 | ARG | 0 | 0.077 | -0.097 | 43.016 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 332 | ARG | 1 | 0.670 | 0.956 | 41.678 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 333 | ARG | 0 | 0.061 | -0.089 | 43.413 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 333 | ARG | 1 | 0.675 | 0.918 | 45.515 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 334 | PRO | 0 | -0.036 | -0.100 | 39.709 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 335 | SER | 0 | 0.080 | 0.044 | 38.851 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 335 | SER | 0 | -0.026 | 0.073 | 38.149 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 336 | SER | 0 | 0.083 | -0.088 | 34.272 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 336 | SER | 0 | -0.034 | 0.095 | 33.225 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 337 | ASN | 0 | 0.092 | -0.044 | 33.377 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 337 | ASN | 0 | -0.080 | 0.070 | 33.546 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 338 | MET | 0 | 0.057 | -0.073 | 34.376 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 338 | MET | 0 | -0.115 | 0.100 | 36.464 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 339 | ASP | 0 | 0.200 | -0.094 | 35.231 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 339 | ASP | -1 | -0.876 | -0.799 | 36.477 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 340 | PRO | 0 | 0.003 | -0.093 | 33.996 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 341 | TYR | 0 | 0.120 | 0.026 | 37.206 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 341 | TYR | 0 | -0.097 | 0.058 | 34.255 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 342 | VAL | 0 | 0.089 | -0.073 | 39.060 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 342 | VAL | 0 | -0.072 | 0.108 | 40.085 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 343 | VAL | 0 | 0.069 | -0.106 | 40.619 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 343 | VAL | 0 | -0.064 | 0.122 | 40.268 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 344 | THR | 0 | 0.035 | -0.102 | 40.903 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 344 | THR | 0 | -0.049 | 0.059 | 39.432 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 345 | SER | 0 | 0.032 | -0.076 | 42.313 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 345 | SER | 0 | -0.043 | 0.062 | 43.052 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 346 | MET | 0 | 0.103 | -0.100 | 44.548 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 346 | MET | 0 | -0.097 | 0.113 | 45.607 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 347 | ILE | 0 | 0.049 | -0.091 | 45.915 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 347 | ILE | 0 | -0.058 | 0.114 | 44.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 348 | ALA | 0 | 0.090 | -0.082 | 46.878 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 348 | ALA | 0 | -0.032 | 0.115 | 47.052 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 349 | GLU | 0 | 0.073 | -0.121 | 48.564 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 349 | GLU | -1 | -0.963 | -0.829 | 49.245 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 350 | THR | 0 | -0.024 | -0.094 | 50.538 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 350 | THR | 0 | -0.033 | 0.080 | 51.034 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 351 | THR | 0 | 0.008 | -0.115 | 51.686 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 351 | THR | 0 | -0.035 | 0.065 | 50.730 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 352 | LEU | 0 | -0.045 | -0.123 | 52.757 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 352 | LEU | 0 | -0.014 | 0.130 | 50.402 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 353 | LEU | 0 | 0.041 | -0.142 | 53.761 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 353 | LEU | 0 | -0.046 | 0.132 | 51.363 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 354 | TRP | 0 | 0.090 | -0.094 | 54.707 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 354 | TRP | 0 | -0.060 | 0.115 | 54.591 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 355 | LYS | 0 | -0.025 | -0.142 | 56.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 355 | LYS | 1 | 0.829 | 1.065 | 58.077 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 356 | PRO | 0 | 0.016 | -0.074 | 59.800 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |