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: QVVVY
Calculation Name: 4E6H-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 4E6H
Chain ID: A
UniProt ID: Q6CII8
Base Structure: X-ray
Registration Date: 2023-09-21
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 | 555 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -11469506.271694 |
|---|---|
| FMO2-HF: Nuclear repulsion | 11237869.405349 |
| FMO2-HF: Total energy | -231636.866345 |
| FMO2-MP2: Total energy | -232308.508626 |
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:28:ARG)
Summations of interaction energy for
fragment #1(A:28:ARG)
| 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. |
| -106.109 | -103.209 | 0.067 | -1.498 | -1.468 | 0.001 |
Interaction energy analysis for fragmet #1(A:28:ARG)
| 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]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 3 | A | 30 | GLU | -1 | -0.955 | -0.989 | 3.180 | -40.600 | -37.769 | 0.068 | -1.492 | -1.407 | 0.001 |
| 4 | A | 31 | SER | 0 | -0.077 | -0.050 | 5.693 | 0.491 | 0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 5 | A | 32 | ASP | -1 | -0.866 | -0.923 | 8.080 | -26.974 | -26.974 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 33 | VAL | 0 | 0.012 | -0.005 | 9.255 | -1.023 | -1.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 34 | ILE | 0 | -0.015 | -0.013 | 10.907 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 35 | GLY | 0 | 0.065 | 0.049 | 7.916 | 1.171 | 1.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 36 | LYS | 1 | 0.971 | 0.983 | 5.451 | 34.260 | 34.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 37 | LEU | 0 | -0.063 | -0.044 | 7.638 | 1.256 | 1.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 38 | ASN | 0 | -0.077 | -0.064 | 10.270 | 1.979 | 1.979 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 39 | ASP | -1 | -0.811 | -0.868 | 4.566 | -28.157 | -28.088 | -0.001 | -0.006 | -0.061 | 0.000 |
| 13 | A | 40 | MET | 0 | -0.035 | -0.021 | 8.093 | 1.436 | 1.436 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 41 | ILE | 0 | -0.081 | -0.048 | 10.568 | 1.241 | 1.241 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 42 | GLU | -1 | -0.985 | -0.989 | 10.344 | -17.312 | -17.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 43 | GLU | -1 | -0.896 | -0.942 | 9.497 | -18.990 | -18.990 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 44 | GLN | 0 | -0.053 | -0.017 | 12.403 | 1.642 | 1.642 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 45 | PRO | 0 | 0.010 | 0.023 | 15.659 | 0.433 | 0.433 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 46 | THR | 0 | -0.043 | -0.028 | 17.379 | 0.344 | 0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 47 | ASP | -1 | -0.814 | -0.919 | 17.425 | -12.916 | -12.916 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 48 | ILE | 0 | 0.048 | 0.011 | 18.860 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 49 | PHE | 0 | -0.034 | -0.012 | 20.206 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 50 | LEU | 0 | 0.032 | 0.028 | 13.843 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 51 | TYR | 0 | -0.011 | -0.034 | 16.867 | -0.429 | -0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 52 | VAL | 0 | -0.013 | -0.010 | 18.608 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 53 | LYS | 1 | 0.829 | 0.933 | 16.573 | 14.975 | 14.975 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 54 | LEU | 0 | 0.023 | 0.020 | 14.118 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 55 | LEU | 0 | -0.002 | -0.003 | 17.102 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 56 | LYS | 1 | 0.873 | 0.945 | 20.747 | 11.688 | 11.688 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 57 | HIS | 0 | 0.025 | 0.019 | 16.518 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 58 | HIS | 0 | 0.024 | -0.011 | 16.418 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 59 | VAL | 0 | -0.002 | 0.000 | 20.437 | 0.386 | 0.386 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 60 | SER | 0 | -0.090 | -0.032 | 21.560 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 61 | LEU | 0 | -0.032 | -0.015 | 18.568 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 62 | LYS | 1 | 0.922 | 0.956 | 22.885 | 10.741 | 10.741 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 63 | GLN | 0 | 0.049 | 0.044 | 18.206 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 64 | TRP | 0 | 0.075 | 0.004 | 22.614 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 65 | LYS | 1 | 0.828 | 0.926 | 21.554 | 12.211 | 12.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 66 | GLN | 0 | 0.041 | 0.002 | 18.157 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 67 | VAL | 0 | -0.016 | 0.019 | 20.701 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 68 | TYR | 0 | -0.077 | -0.082 | 22.688 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 69 | GLU | -1 | -0.751 | -0.860 | 20.416 | -12.431 | -12.431 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 70 | THR | 0 | -0.033 | -0.025 | 18.427 | -0.296 | -0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 71 | PHE | 0 | 0.006 | -0.018 | 20.415 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 72 | ASP | -1 | -0.729 | -0.831 | 23.852 | -9.624 | -9.624 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 73 | LYS | 1 | 0.982 | 1.017 | 14.963 | 15.113 | 15.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 74 | LEU | 0 | -0.018 | 0.000 | 21.533 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 75 | HIS | 0 | -0.040 | -0.014 | 23.233 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 76 | ASP | -1 | -0.876 | -0.933 | 24.140 | -9.777 | -9.777 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 77 | ARG | 1 | 0.804 | 0.917 | 20.187 | 11.777 | 11.777 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 78 | PHE | 0 | -0.005 | -0.027 | 22.262 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 79 | PRO | 0 | 0.023 | 0.021 | 27.233 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 80 | LEU | 0 | -0.007 | -0.008 | 30.257 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 81 | MET | 0 | -0.030 | 0.024 | 27.891 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 82 | ALA | 0 | 0.046 | 0.016 | 30.968 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 83 | ASN | 0 | 0.007 | -0.017 | 28.624 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 84 | ILE | 0 | 0.036 | 0.009 | 25.411 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 85 | TRP | 0 | -0.002 | -0.012 | 29.033 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 86 | CYS | 0 | -0.050 | 0.003 | 31.431 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 87 | MET | 0 | -0.069 | -0.009 | 26.760 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 88 | ARG | 1 | 0.788 | 0.881 | 27.461 | 9.647 | 9.647 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 89 | LEU | 0 | 0.006 | -0.005 | 29.947 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 90 | SER | 0 | 0.017 | 0.004 | 32.669 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 91 | LEU | 0 | -0.030 | 0.000 | 27.163 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 92 | GLU | -1 | -0.751 | -0.865 | 30.854 | -9.083 | -9.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 93 | PHE | 0 | -0.034 | -0.033 | 33.749 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 94 | ASP | -1 | -0.931 | -0.961 | 33.938 | -8.206 | -8.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 95 | LYS | 1 | 0.756 | 0.877 | 30.357 | 9.098 | 9.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 96 | MET | 0 | -0.087 | -0.004 | 36.135 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 97 | GLU | -1 | -0.946 | -0.975 | 39.390 | -6.969 | -6.969 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 98 | GLU | -1 | -0.881 | -0.954 | 40.909 | -6.570 | -6.570 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 99 | LEU | 0 | -0.051 | -0.023 | 39.232 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 100 | ASP | -1 | -0.813 | -0.908 | 37.147 | -7.521 | -7.521 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 101 | ALA | 0 | 0.041 | 0.012 | 38.199 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 102 | ALA | 0 | -0.037 | -0.016 | 37.883 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 103 | VAL | 0 | -0.040 | -0.016 | 32.611 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 104 | ILE | 0 | 0.003 | -0.008 | 34.646 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 105 | GLU | -1 | -0.830 | -0.882 | 36.729 | -6.775 | -6.775 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 106 | PRO | 0 | 0.017 | 0.015 | 34.613 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 107 | VAL | 0 | -0.009 | -0.006 | 31.808 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 108 | LEU | 0 | 0.014 | 0.009 | 34.362 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 109 | ALA | 0 | -0.017 | -0.012 | 37.573 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 110 | ARG | 1 | 0.843 | 0.905 | 28.187 | 9.126 | 9.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 111 | CYS | 0 | -0.067 | -0.009 | 33.712 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 112 | LEU | 0 | 0.015 | 0.003 | 35.255 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 113 | SER | 0 | -0.062 | -0.018 | 36.556 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 114 | LYS | 1 | 0.931 | 0.953 | 39.336 | 6.401 | 6.401 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 115 | GLU | -1 | -0.872 | -0.928 | 37.111 | -7.119 | -7.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 116 | LEU | 0 | -0.046 | -0.025 | 32.361 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 117 | GLY | 0 | 0.041 | 0.033 | 36.056 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 118 | ASN | 0 | -0.045 | -0.036 | 33.806 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 119 | ASN | 0 | 0.004 | -0.014 | 37.601 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 120 | ASP | -1 | -0.726 | -0.856 | 37.732 | -7.493 | -7.493 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 121 | LEU | 0 | 0.044 | 0.010 | 39.730 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 122 | SER | 0 | -0.001 | 0.000 | 37.232 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 123 | LEU | 0 | -0.005 | -0.018 | 35.204 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 124 | TRP | 0 | -0.005 | -0.029 | 38.287 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 125 | LEU | 0 | 0.007 | 0.006 | 41.753 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 126 | SER | 0 | 0.000 | 0.015 | 37.278 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 127 | TYR | 0 | 0.029 | 0.000 | 40.282 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 128 | ILE | 0 | 0.022 | 0.008 | 41.886 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 129 | THR | 0 | -0.044 | -0.019 | 42.207 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 130 | TYR | 0 | -0.057 | -0.059 | 40.632 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 131 | VAL | 0 | -0.011 | -0.006 | 43.174 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 132 | ARG | 1 | 0.846 | 0.906 | 46.332 | 6.066 | 6.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 133 | LYS | 1 | 0.925 | 0.971 | 41.916 | 7.008 | 7.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 134 | LYS | 1 | 0.823 | 0.915 | 43.211 | 6.747 | 6.747 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 135 | ASN | 0 | -0.071 | -0.025 | 47.266 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 136 | ASP | -1 | -0.778 | -0.876 | 50.869 | -5.484 | -5.484 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 137 | ILE | 0 | 0.005 | -0.008 | 52.924 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 138 | ILE | 0 | -0.101 | -0.048 | 56.005 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 139 | THR | 0 | -0.055 | -0.059 | 55.595 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 140 | GLY | 0 | 0.041 | 0.032 | 56.343 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 141 | GLY | 0 | -0.074 | -0.032 | 57.347 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 142 | GLU | -1 | -0.924 | -0.977 | 58.906 | -4.849 | -4.849 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 143 | GLU | -1 | -0.901 | -0.953 | 56.846 | -5.195 | -5.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 144 | ALA | 0 | 0.022 | 0.027 | 54.696 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 145 | ARG | 1 | 0.863 | 0.918 | 54.705 | 4.808 | 4.808 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 146 | ASN | 0 | -0.037 | -0.010 | 55.812 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 147 | ILE | 0 | 0.091 | 0.056 | 50.724 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 148 | VAL | 0 | 0.016 | 0.004 | 50.819 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 149 | ILE | 0 | -0.049 | -0.037 | 51.731 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 150 | GLN | 0 | -0.028 | -0.010 | 52.458 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 151 | ALA | 0 | -0.030 | -0.003 | 47.818 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 152 | PHE | 0 | 0.024 | -0.010 | 49.157 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 153 | GLN | 0 | -0.021 | -0.022 | 50.722 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 154 | VAL | 0 | 0.044 | 0.027 | 47.146 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 155 | VAL | 0 | -0.028 | -0.012 | 45.456 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 156 | VAL | 0 | -0.063 | -0.033 | 47.575 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 157 | ASP | -1 | -0.854 | -0.922 | 50.746 | -5.472 | -5.472 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 158 | LYS | 1 | 0.899 | 0.965 | 44.549 | 6.336 | 6.336 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 159 | CYS | 0 | -0.028 | 0.003 | 43.919 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 160 | ALA | 0 | 0.053 | 0.021 | 46.377 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 161 | ILE | 0 | -0.028 | 0.002 | 48.830 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 162 | PHE | 0 | -0.034 | -0.030 | 47.150 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 163 | GLU | -1 | -0.710 | -0.787 | 43.738 | -6.634 | -6.634 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 164 | PRO | 0 | 0.010 | 0.018 | 46.431 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 165 | LYS | 1 | 0.870 | 0.943 | 44.976 | 6.383 | 6.383 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 166 | SER | 0 | 0.036 | -0.009 | 45.668 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 167 | ILE | 0 | -0.008 | 0.002 | 47.958 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 168 | GLN | 0 | 0.003 | 0.002 | 43.880 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 169 | PHE | 0 | 0.004 | -0.003 | 46.947 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 170 | TRP | 0 | 0.084 | 0.021 | 48.698 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 171 | ASN | 0 | 0.000 | -0.010 | 51.820 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 172 | GLU | -1 | -0.886 | -0.923 | 47.548 | -6.106 | -6.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 173 | TYR | 0 | 0.010 | -0.001 | 51.716 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 174 | LEU | 0 | 0.002 | -0.024 | 53.569 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 175 | HIS | 0 | -0.007 | 0.022 | 54.801 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 176 | PHE | 0 | -0.008 | -0.003 | 53.906 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 177 | LEU | 0 | -0.028 | -0.016 | 56.105 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 178 | GLU | -1 | -0.862 | -0.944 | 59.098 | -4.950 | -4.950 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 179 | HIS | 0 | -0.023 | -0.005 | 58.372 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 180 | TRP | 0 | -0.067 | -0.035 | 60.409 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 181 | LYS | 1 | 0.977 | 0.988 | 61.702 | 4.886 | 4.886 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 182 | PRO | 0 | -0.022 | 0.004 | 64.860 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 183 | VAL | 0 | 0.006 | 0.000 | 65.834 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 184 | ASN | 0 | 0.014 | 0.000 | 68.384 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 185 | LYS | 1 | 1.072 | 1.005 | 70.373 | 3.998 | 3.998 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 186 | PHE | 0 | 0.013 | 0.025 | 65.836 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 187 | GLU | -1 | -0.729 | -0.847 | 64.991 | -4.720 | -4.720 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 188 | GLU | -1 | -0.949 | -0.976 | 66.673 | -4.281 | -4.281 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 189 | GLN | 0 | -0.031 | -0.020 | 68.615 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 190 | GLN | 0 | -0.006 | 0.000 | 63.291 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 191 | ARG | 1 | 0.891 | 0.948 | 63.196 | 4.634 | 4.634 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 192 | VAL | 0 | -0.012 | -0.006 | 64.238 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 193 | GLN | 0 | -0.028 | -0.015 | 65.443 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 194 | TYR | 0 | 0.017 | 0.008 | 60.077 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 195 | ILE | 0 | 0.040 | 0.032 | 61.145 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 196 | ARG | 1 | 0.861 | 0.893 | 62.156 | 4.379 | 4.379 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 197 | LYS | 1 | 0.854 | 0.927 | 57.466 | 5.138 | 5.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 198 | LEU | 0 | -0.012 | 0.010 | 55.282 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 199 | TYR | 0 | 0.050 | 0.006 | 58.506 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 200 | LYS | 1 | 0.950 | 0.976 | 60.751 | 4.600 | 4.600 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 201 | THR | 0 | -0.029 | -0.007 | 55.844 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 202 | LEU | 0 | 0.021 | 0.005 | 55.302 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 203 | LEU | 0 | -0.073 | -0.039 | 56.787 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 204 | CYS | 0 | -0.059 | -0.022 | 58.836 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 205 | GLN | 0 | -0.001 | 0.013 | 54.013 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 206 | PRO | 0 | 0.004 | 0.004 | 52.842 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 207 | MET | 0 | -0.023 | -0.024 | 51.638 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 208 | ASP | -1 | -0.789 | -0.908 | 49.200 | -5.902 | -5.902 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 209 | CYS | 0 | -0.031 | -0.009 | 52.435 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 210 | LEU | 0 | -0.017 | 0.015 | 54.726 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 211 | GLU | -1 | -0.845 | -0.894 | 57.708 | -4.916 | -4.916 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 212 | SER | 0 | -0.012 | -0.010 | 57.439 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 213 | MET | 0 | 0.001 | -0.015 | 55.174 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 214 | TRP | 0 | 0.051 | 0.025 | 59.627 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 215 | GLN | 0 | -0.050 | -0.018 | 62.675 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 216 | ARG | 1 | 0.902 | 0.931 | 56.949 | 5.214 | 5.214 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 217 | TYR | 0 | -0.042 | -0.024 | 63.368 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 218 | THR | 0 | 0.005 | -0.008 | 64.984 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 219 | GLN | 0 | -0.027 | -0.001 | 66.847 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 220 | TRP | 0 | 0.027 | 0.015 | 65.969 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 221 | GLU | -1 | -0.642 | -0.780 | 68.037 | -4.340 | -4.340 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 222 | GLN | 0 | -0.187 | -0.097 | 70.351 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 223 | ASP | -1 | -0.967 | -0.973 | 70.248 | -4.288 | -4.288 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 224 | VAL | 0 | -0.023 | -0.002 | 69.062 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 225 | ASN | 0 | -0.001 | -0.010 | 72.308 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 226 | GLN | 0 | 0.052 | 0.022 | 75.448 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 227 | LEU | 0 | -0.047 | -0.015 | 77.593 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 228 | THR | 0 | 0.004 | -0.013 | 74.147 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 229 | ALA | 0 | 0.015 | 0.023 | 73.132 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 230 | ARG | 1 | 0.963 | 0.968 | 73.436 | 3.963 | 3.963 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 231 | ARG | 1 | 0.870 | 0.922 | 73.602 | 4.118 | 4.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 232 | HIS | 0 | -0.046 | -0.012 | 69.971 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 233 | ILE | 0 | 0.004 | -0.006 | 69.214 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 234 | GLY | 0 | -0.012 | -0.017 | 69.717 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 235 | GLU | -1 | -0.850 | -0.904 | 69.907 | -4.193 | -4.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 236 | LEU | 0 | -0.040 | -0.001 | 63.683 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 237 | SER | 0 | -0.032 | -0.036 | 66.602 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 238 | ALA | 0 | 0.065 | 0.044 | 66.585 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 239 | GLN | 0 | 0.048 | 0.009 | 62.811 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 240 | TYR | 0 | 0.051 | 0.029 | 61.193 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 241 | MET | 0 | -0.030 | -0.014 | 61.818 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 242 | ASN | 0 | 0.035 | 0.027 | 61.045 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 243 | ALA | 0 | 0.038 | 0.029 | 58.002 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 244 | ARG | 1 | 0.810 | 0.871 | 57.431 | 4.865 | 4.865 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 245 | SER | 0 | -0.024 | -0.006 | 58.152 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 246 | LEU | 0 | 0.020 | 0.008 | 55.769 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 247 | TYR | 0 | 0.008 | -0.010 | 50.502 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 248 | GLN | 0 | -0.046 | -0.024 | 53.269 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 249 | ASP | -1 | -0.872 | -0.923 | 54.057 | -5.364 | -5.364 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 250 | TRP | 0 | -0.017 | 0.002 | 45.256 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 251 | LEU | 0 | -0.039 | -0.025 | 49.276 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 252 | ASN | 0 | -0.054 | -0.030 | 49.627 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 253 | ILE | 0 | -0.001 | -0.003 | 47.190 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 254 | THR | 0 | -0.036 | -0.017 | 45.036 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 255 | LYS | 1 | 0.965 | 0.985 | 45.017 | 5.961 | 5.961 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 256 | GLY | 0 | -0.032 | -0.023 | 42.875 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 257 | LEU | 0 | -0.027 | 0.010 | 39.593 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 258 | LYS | 1 | 0.904 | 0.951 | 35.995 | 7.721 | 7.721 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 259 | ARG | 1 | 0.804 | 0.860 | 36.318 | 6.913 | 6.913 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 260 | ASN | 0 | -0.056 | -0.044 | 34.147 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 261 | LEU | 0 | 0.050 | 0.046 | 29.552 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 262 | PRO | 0 | -0.042 | 0.001 | 27.925 | 0.214 | 0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 263 | ILE | 0 | 0.059 | 0.023 | 30.644 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 264 | THR | 0 | 0.029 | -0.004 | 30.835 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 265 | LEU | 0 | 0.072 | 0.025 | 24.230 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 266 | ASN | 0 | -0.001 | -0.027 | 26.776 | -0.561 | -0.561 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 267 | GLN | 0 | 0.003 | 0.020 | 28.405 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 268 | ALA | 0 | -0.009 | 0.006 | 25.469 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 269 | THR | 0 | -0.042 | -0.037 | 25.085 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 270 | GLU | -1 | -0.804 | -0.930 | 19.938 | -13.664 | -13.664 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 271 | SER | 0 | -0.012 | -0.007 | 23.775 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 272 | ASN | 0 | -0.041 | -0.007 | 27.265 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 273 | LEU | 0 | 0.015 | 0.001 | 23.910 | 0.240 | 0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 274 | PRO | 0 | -0.014 | 0.015 | 25.555 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 275 | LYS | 1 | 0.943 | 0.951 | 21.666 | 11.044 | 11.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 276 | PRO | 0 | 0.070 | 0.029 | 18.613 | 0.511 | 0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 277 | ASN | 0 | -0.058 | -0.044 | 21.901 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 278 | GLU | -1 | -0.883 | -0.906 | 24.985 | -10.143 | -10.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 279 | TYR | 0 | 0.007 | -0.022 | 26.906 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 280 | ASP | -1 | -0.842 | -0.907 | 30.554 | -8.069 | -8.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 281 | VAL | 0 | 0.053 | -0.001 | 33.502 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 282 | GLN | 0 | 0.019 | 0.013 | 35.997 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 283 | GLN | 0 | 0.013 | 0.003 | 35.722 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 284 | LEU | 0 | -0.033 | -0.007 | 35.509 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 285 | LEU | 0 | 0.010 | -0.005 | 37.721 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 286 | ILE | 0 | -0.003 | 0.019 | 41.023 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 287 | TRP | 0 | 0.013 | 0.009 | 37.066 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 288 | LEU | 0 | 0.004 | 0.005 | 39.625 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 289 | GLU | -1 | -0.865 | -0.907 | 42.809 | -5.946 | -5.946 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 290 | TRP | 0 | -0.069 | -0.036 | 42.762 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 291 | ILE | 0 | 0.026 | -0.006 | 41.247 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 292 | ARG | 1 | 0.872 | 0.925 | 45.746 | 6.298 | 6.298 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 293 | TRP | 0 | -0.031 | -0.012 | 48.358 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 294 | GLU | -1 | -0.720 | -0.829 | 47.686 | -5.772 | -5.772 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 295 | SER | 0 | -0.089 | -0.050 | 48.957 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 296 | ASP | -1 | -0.862 | -0.937 | 50.677 | -5.236 | -5.236 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 297 | ASN | 0 | -0.014 | 0.000 | 53.549 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 298 | LYS | 1 | 0.876 | 0.923 | 53.904 | 5.513 | 5.513 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 299 | LEU | 0 | -0.078 | -0.038 | 54.020 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 300 | GLU | -1 | -0.970 | -0.970 | 57.750 | -4.690 | -4.690 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 301 | LEU | 0 | -0.050 | -0.016 | 53.542 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 302 | SER | 0 | 0.049 | 0.016 | 56.884 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 303 | ASP | -1 | -0.855 | -0.934 | 55.244 | -5.219 | -5.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 304 | ASP | -1 | -0.937 | -0.979 | 52.590 | -5.489 | -5.489 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 305 | LEU | 0 | -0.024 | -0.019 | 51.554 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 306 | HIS | 0 | -0.027 | -0.005 | 51.465 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 307 | LYS | 1 | 0.929 | 0.980 | 45.653 | 6.045 | 6.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 308 | ALA | 0 | -0.028 | 0.002 | 47.251 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 309 | ARG | 1 | 0.856 | 0.908 | 46.624 | 5.682 | 5.682 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 310 | MET | 0 | -0.018 | 0.001 | 46.435 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 311 | THR | 0 | -0.044 | -0.041 | 42.221 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 312 | TYR | 0 | -0.067 | -0.058 | 41.980 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 313 | VAL | 0 | 0.043 | 0.019 | 41.749 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 314 | TYR | 0 | 0.010 | -0.002 | 39.830 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 315 | MET | 0 | -0.057 | -0.017 | 37.575 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 316 | GLN | 0 | 0.005 | 0.015 | 36.813 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 317 | ALA | 0 | 0.041 | 0.016 | 36.763 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 318 | ALA | 0 | -0.042 | -0.027 | 34.181 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 319 | GLN | 0 | 0.000 | -0.010 | 32.498 | -0.429 | -0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 320 | HIS | 0 | -0.045 | -0.048 | 31.851 | -0.305 | -0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 321 | VAL | 0 | -0.026 | -0.002 | 32.177 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 322 | CYS | 0 | 0.010 | 0.012 | 27.567 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 323 | PHE | 0 | -0.023 | -0.005 | 23.926 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 324 | ALA | 0 | 0.037 | 0.029 | 28.806 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 325 | PRO | 0 | -0.007 | -0.018 | 30.756 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 326 | GLU | -1 | -0.849 | -0.931 | 32.777 | -7.068 | -7.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 327 | ILE | 0 | 0.007 | 0.019 | 34.169 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 328 | TRP | 0 | -0.023 | -0.015 | 30.861 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 329 | PHE | 0 | -0.008 | 0.003 | 35.354 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 330 | ASN | 0 | -0.026 | -0.027 | 37.383 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 331 | MET | 0 | -0.028 | 0.009 | 37.972 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 332 | ALA | 0 | -0.017 | -0.017 | 37.448 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 333 | ASN | 0 | -0.017 | -0.017 | 39.545 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 334 | TYR | 0 | 0.009 | 0.010 | 42.636 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 335 | GLN | 0 | -0.057 | -0.057 | 41.207 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 336 | GLY | 0 | -0.020 | -0.026 | 43.449 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 337 | GLU | -1 | -0.864 | -0.887 | 44.771 | -5.747 | -5.747 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 338 | LYS | 1 | 0.797 | 0.878 | 47.888 | 5.831 | 5.831 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 339 | ASN | 0 | 0.005 | 0.014 | 48.744 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 340 | THR | 0 | -0.009 | -0.012 | 48.412 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 341 | ASP | -1 | -0.812 | -0.899 | 43.969 | -6.590 | -6.590 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 342 | SER | 0 | -0.044 | -0.042 | 44.069 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 343 | THR | 0 | -0.006 | -0.010 | 39.509 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 344 | VAL | 0 | -0.013 | 0.000 | 39.433 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 345 | ILE | 0 | 0.024 | 0.019 | 39.182 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 346 | THR | 0 | 0.028 | 0.000 | 35.337 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 347 | LYS | 1 | 0.862 | 0.931 | 35.170 | 7.031 | 7.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 348 | TYR | 0 | 0.062 | 0.020 | 34.317 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 349 | LEU | 0 | 0.024 | 0.024 | 33.915 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 350 | LYS | 1 | 0.929 | 0.973 | 27.281 | 9.150 | 9.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 351 | LEU | 0 | -0.014 | -0.003 | 29.526 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 352 | GLY | 0 | 0.097 | 0.027 | 29.192 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 353 | GLN | 0 | -0.058 | -0.051 | 26.681 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 354 | GLN | 0 | -0.054 | -0.017 | 25.177 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 355 | CYS | 0 | 0.000 | 0.010 | 24.118 | -0.472 | -0.472 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 356 | ILE | 0 | -0.021 | 0.002 | 24.776 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 357 | PRO | 0 | 0.036 | 0.025 | 21.530 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 358 | ASN | 0 | -0.001 | -0.009 | 21.993 | 0.550 | 0.550 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 359 | SER | 0 | 0.006 | -0.008 | 24.554 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 360 | ALA | 0 | 0.053 | 0.011 | 28.221 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 361 | VAL | 0 | 0.023 | 0.021 | 30.541 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 362 | LEU | 0 | -0.004 | 0.008 | 30.034 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 363 | ALA | 0 | 0.017 | 0.022 | 29.195 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 364 | PHE | 0 | 0.018 | -0.014 | 31.196 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 365 | SER | 0 | 0.058 | 0.012 | 34.649 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 366 | LEU | 0 | -0.064 | -0.036 | 31.060 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 367 | SER | 0 | 0.007 | -0.002 | 34.186 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 368 | GLU | -1 | -0.954 | -0.964 | 35.675 | -6.883 | -6.883 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 369 | GLN | 0 | 0.022 | 0.008 | 37.902 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 370 | TYR | 0 | -0.009 | -0.013 | 31.786 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 371 | GLU | -1 | -0.816 | -0.887 | 38.160 | -6.892 | -6.892 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 372 | LEU | 0 | -0.010 | 0.002 | 40.557 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 373 | ASN | 0 | -0.071 | -0.026 | 40.787 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 374 | THR | 0 | -0.041 | -0.019 | 42.380 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 375 | LYS | 1 | 0.821 | 0.908 | 37.171 | 7.362 | 7.362 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 376 | ILE | 0 | 0.072 | 0.007 | 37.112 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 377 | PRO | 0 | 0.016 | 0.009 | 34.118 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 378 | GLU | -1 | -0.806 | -0.905 | 32.373 | -8.062 | -8.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 379 | ILE | 0 | -0.030 | 0.012 | 32.371 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 380 | GLU | -1 | -0.793 | -0.878 | 30.423 | -8.875 | -8.875 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 381 | THR | 0 | -0.035 | -0.020 | 27.437 | -0.336 | -0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 382 | THR | 0 | -0.013 | -0.003 | 27.505 | -0.434 | -0.434 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 383 | ILE | 0 | -0.006 | -0.001 | 28.208 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 384 | LEU | 0 | -0.034 | -0.027 | 25.463 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 385 | SER | 0 | 0.003 | 0.028 | 23.370 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 386 | CYS | 0 | -0.022 | 0.013 | 23.112 | -0.307 | -0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 387 | ILE | 0 | -0.048 | -0.032 | 23.788 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 388 | ASP | -1 | -0.909 | -0.968 | 19.839 | -12.118 | -12.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 389 | ARG | 1 | 0.803 | 0.893 | 15.529 | 13.594 | 13.594 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 390 | ILE | 0 | -0.007 | -0.018 | 19.551 | -0.280 | -0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 391 | HIS | 0 | -0.045 | -0.027 | 18.984 | -0.454 | -0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 392 | LEU | 0 | -0.003 | 0.008 | 13.797 | -0.411 | -0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 393 | ASP | -1 | -0.784 | -0.877 | 16.155 | -13.241 | -13.241 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 394 | LEU | 0 | -0.044 | -0.030 | 18.292 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 395 | ALA | 0 | -0.041 | -0.022 | 14.996 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 396 | ALA | 0 | 0.104 | 0.050 | 14.031 | -0.485 | -0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 397 | LEU | 0 | -0.008 | 0.002 | 14.974 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 398 | MET | 0 | -0.125 | -0.085 | 18.110 | 0.360 | 0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 399 | GLU | -1 | -0.979 | -0.977 | 10.874 | -22.676 | -22.676 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 400 | ASP | -1 | -0.898 | -0.943 | 13.247 | -19.182 | -19.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 401 | ASP | -1 | -0.916 | -0.967 | 15.722 | -13.272 | -13.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 402 | PRO | 0 | 0.016 | 0.013 | 17.656 | 0.891 | 0.891 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 403 | THR | 0 | -0.027 | -0.021 | 20.274 | 0.354 | 0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 404 | ASN | 0 | -0.061 | -0.011 | 23.102 | 1.158 | 1.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 405 | GLU | -1 | -0.930 | -0.989 | 25.011 | -10.172 | -10.172 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 406 | SER | 0 | -0.044 | -0.015 | 27.107 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 407 | ALA | 0 | 0.074 | 0.038 | 24.697 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 408 | ILE | 0 | 0.015 | 0.007 | 21.772 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 409 | ASN | 0 | -0.011 | -0.018 | 24.687 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 410 | GLN | 0 | -0.017 | 0.004 | 27.965 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 411 | LEU | 0 | 0.049 | 0.040 | 21.297 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 412 | LYS | 1 | 0.913 | 0.964 | 24.681 | 11.426 | 11.426 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 413 | SER | 0 | -0.031 | -0.016 | 26.537 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 414 | LYS | 1 | 0.878 | 0.946 | 25.068 | 10.644 | 10.644 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 415 | LEU | 0 | 0.016 | 0.013 | 23.265 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 416 | THR | 0 | -0.040 | -0.040 | 26.841 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 417 | TYR | 0 | 0.055 | 0.034 | 29.923 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 418 | VAL | 0 | 0.030 | 0.011 | 28.299 | 0.247 | 0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 419 | TYR | 0 | 0.020 | 0.015 | 25.172 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 420 | CYS | 0 | -0.052 | -0.019 | 30.662 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 421 | VAL | 0 | 0.034 | 0.029 | 33.938 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 422 | TYR | 0 | -0.033 | -0.031 | 29.262 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 423 | MET | 0 | -0.087 | -0.032 | 33.302 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 424 | ASN | 0 | -0.031 | -0.036 | 35.185 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 425 | THR | 0 | -0.030 | -0.028 | 35.966 | 0.253 | 0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 426 | MET | 0 | 0.004 | 0.003 | 33.873 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 427 | LYS | 1 | 0.884 | 0.972 | 37.185 | 6.911 | 6.911 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 428 | ARG | 1 | 0.831 | 0.893 | 40.125 | 7.117 | 7.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 429 | ILE | 0 | -0.029 | -0.007 | 38.963 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 430 | GLN | 0 | -0.042 | -0.029 | 34.738 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 431 | GLY | 0 | 0.015 | 0.018 | 40.334 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 432 | LEU | 0 | -0.009 | -0.024 | 39.997 | -0.180 | -0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 433 | ALA | 0 | 0.004 | -0.007 | 39.101 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 434 | ALA | 0 | 0.043 | 0.029 | 35.940 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 435 | SER | 0 | 0.079 | 0.039 | 35.019 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 436 | ARG | 1 | 0.801 | 0.861 | 35.710 | 6.966 | 6.966 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 437 | LYS | 1 | 0.918 | 0.961 | 32.161 | 8.147 | 8.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 438 | ILE | 0 | -0.009 | 0.009 | 30.869 | -0.320 | -0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 439 | PHE | 0 | 0.096 | 0.047 | 30.983 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 440 | GLY | 0 | 0.026 | 0.010 | 31.955 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 441 | LYS | 1 | 0.911 | 0.957 | 26.787 | 9.690 | 9.690 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 442 | CYS | 0 | 0.043 | 0.040 | 27.241 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 443 | ARG | 1 | 0.936 | 0.983 | 28.963 | 9.141 | 9.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 444 | ARG | 1 | 0.818 | 0.874 | 25.996 | 10.003 | 10.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 445 | LEU | 0 | 0.039 | 0.049 | 22.915 | -0.413 | -0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 446 | LYS | 1 | 0.846 | 0.910 | 24.235 | 11.480 | 11.480 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 447 | LYS | 1 | 0.965 | 0.986 | 27.115 | 10.548 | 10.548 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 448 | LEU | 0 | 0.027 | 0.037 | 21.222 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 449 | VAL | 0 | -0.002 | 0.002 | 25.284 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 450 | THR | 0 | 0.048 | 0.011 | 28.224 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 451 | PRO | 0 | 0.009 | -0.012 | 31.569 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 452 | ASP | -1 | -0.850 | -0.920 | 34.496 | -8.016 | -8.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 453 | ILE | 0 | 0.020 | 0.002 | 31.546 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 454 | TYR | 0 | -0.042 | -0.039 | 31.625 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 455 | LEU | 0 | -0.003 | 0.005 | 36.922 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 456 | GLU | -1 | -0.829 | -0.921 | 37.369 | -7.174 | -7.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 457 | ASN | 0 | -0.024 | -0.022 | 37.094 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 458 | ALA | 0 | -0.014 | 0.003 | 39.162 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 459 | TYR | 0 | 0.076 | 0.035 | 42.448 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 460 | ILE | 0 | -0.045 | -0.013 | 39.046 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 461 | GLU | -1 | -0.799 | -0.890 | 41.111 | -7.039 | -7.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 462 | TYR | 0 | 0.029 | 0.014 | 44.326 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 463 | HIS | 0 | -0.039 | -0.028 | 46.418 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 464 | ILE | 0 | -0.096 | -0.018 | 44.622 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 465 | SER | 0 | -0.010 | -0.029 | 48.561 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 466 | LYS | 1 | 0.927 | 0.978 | 51.191 | 5.670 | 5.670 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 467 | ASP | -1 | -0.829 | -0.907 | 49.558 | -6.062 | -6.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 468 | THR | 0 | 0.029 | 0.001 | 49.586 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 469 | LYS | 1 | 0.912 | 0.965 | 48.006 | 6.201 | 6.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 470 | THR | 0 | -0.028 | -0.022 | 43.012 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 471 | ALA | 0 | 0.043 | 0.028 | 43.496 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 472 | CYS | 0 | 0.005 | -0.008 | 43.489 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 473 | LYS | 1 | 0.785 | 0.888 | 42.556 | 6.670 | 6.670 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 474 | VAL | 0 | -0.035 | -0.004 | 38.159 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 475 | LEU | 0 | 0.057 | 0.033 | 39.197 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 476 | GLU | -1 | -0.789 | -0.861 | 40.690 | -7.000 | -7.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 477 | LEU | 0 | -0.097 | -0.058 | 35.119 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 478 | GLY | 0 | 0.034 | 0.017 | 35.956 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 479 | LEU | 0 | 0.019 | 0.015 | 36.599 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 480 | LYS | 1 | 0.880 | 0.937 | 35.441 | 8.085 | 8.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 481 | TYR | 0 | -0.080 | -0.040 | 30.451 | -0.305 | -0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 482 | PHE | 0 | 0.057 | 0.019 | 31.654 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 483 | ALA | 0 | 0.016 | 0.017 | 36.214 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 484 | THR | 0 | -0.016 | -0.007 | 36.841 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 485 | ASP | -1 | -0.856 | -0.922 | 36.532 | -8.182 | -8.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 486 | GLY | 0 | 0.028 | 0.007 | 38.556 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 487 | GLU | -1 | -0.774 | -0.870 | 38.966 | -6.997 | -6.997 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 488 | TYR | 0 | -0.042 | -0.034 | 38.286 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 489 | ILE | 0 | 0.006 | -0.013 | 40.318 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 490 | ASN | 0 | 0.002 | 0.000 | 43.493 | 0.340 | 0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 491 | LYS | 1 | 0.939 | 0.954 | 40.978 | 7.365 | 7.365 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 492 | TYR | 0 | -0.014 | -0.003 | 42.617 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 493 | LEU | 0 | -0.008 | -0.020 | 44.634 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 494 | ASP | -1 | -0.831 | -0.894 | 47.008 | -6.193 | -6.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 495 | PHE | 0 | -0.014 | -0.010 | 45.688 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 496 | LEU | 0 | -0.002 | -0.015 | 47.774 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 497 | ILE | 0 | -0.015 | -0.002 | 50.154 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 498 | TYR | 0 | -0.076 | -0.036 | 49.921 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 499 | VAL | 0 | -0.051 | -0.022 | 49.338 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 500 | ASN | 0 | -0.091 | -0.046 | 52.426 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 501 | GLU | -1 | -0.846 | -0.911 | 51.563 | -5.764 | -5.764 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 502 | GLU | -1 | -0.871 | -0.955 | 53.983 | -5.302 | -5.302 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 503 | SER | 0 | 0.019 | 0.007 | 55.622 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 504 | GLN | 0 | -0.006 | 0.001 | 49.351 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 505 | VAL | 0 | 0.014 | 0.028 | 51.063 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 506 | LYS | 1 | 0.920 | 0.965 | 51.786 | 5.334 | 5.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 507 | SER | 0 | -0.041 | -0.028 | 50.974 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 508 | LEU | 0 | -0.002 | -0.001 | 44.604 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 509 | PHE | 0 | 0.046 | 0.027 | 47.885 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 510 | GLU | -1 | -0.852 | -0.906 | 49.529 | -5.792 | -5.792 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 511 | SER | 0 | -0.036 | -0.016 | 46.497 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 512 | SER | 0 | -0.002 | -0.027 | 45.126 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 513 | ILE | 0 | -0.049 | -0.008 | 45.861 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 514 | ASP | -1 | -0.874 | -0.932 | 46.771 | -6.447 | -6.447 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 515 | LYS | 1 | 0.831 | 0.920 | 41.835 | 7.007 | 7.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 516 | ILE | 0 | -0.018 | -0.015 | 41.666 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 517 | SER | 0 | -0.015 | -0.004 | 39.712 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 518 | ASP | -1 | -0.821 | -0.919 | 41.834 | -6.941 | -6.941 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 519 | SER | 0 | 0.039 | 0.020 | 44.345 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 520 | HIS | 0 | -0.048 | -0.011 | 42.989 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 521 | LEU | 0 | 0.081 | 0.043 | 42.346 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 522 | LEU | 0 | -0.021 | -0.018 | 46.893 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 523 | LYS | 1 | 0.865 | 0.948 | 48.600 | 5.715 | 5.715 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 524 | MET | 0 | 0.009 | 0.004 | 47.086 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 525 | ILE | 0 | 0.018 | 0.001 | 46.023 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 526 | PHE | 0 | 0.001 | -0.001 | 50.691 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 527 | GLN | 0 | -0.074 | -0.056 | 53.705 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 528 | LYS | 1 | 0.797 | 0.901 | 48.528 | 6.389 | 6.389 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 529 | VAL | 0 | 0.013 | -0.001 | 52.353 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 530 | ILE | 0 | -0.025 | -0.010 | 55.049 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 531 | PHE | 0 | -0.027 | -0.009 | 57.549 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 532 | PHE | 0 | 0.044 | 0.012 | 56.261 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 533 | GLU | -1 | -0.822 | -0.951 | 57.827 | -5.301 | -5.301 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 534 | SER | 0 | -0.086 | -0.040 | 60.112 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 535 | LYS | 1 | 0.809 | 0.926 | 61.151 | 5.092 | 5.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 536 | VAL | 0 | -0.019 | -0.009 | 60.210 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 537 | GLY | 0 | 0.016 | 0.022 | 63.012 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 538 | SER | 0 | 0.083 | 0.050 | 63.169 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 539 | LEU | 0 | 0.006 | 0.024 | 65.276 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 540 | ASN | 0 | 0.036 | -0.007 | 65.858 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 541 | SER | 0 | 0.035 | 0.007 | 60.478 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 542 | VAL | 0 | 0.007 | 0.020 | 61.543 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 543 | ARG | 1 | 0.926 | 0.964 | 62.251 | 4.668 | 4.668 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 544 | THR | 0 | -0.057 | -0.031 | 60.149 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 545 | LEU | 0 | -0.005 | -0.008 | 56.170 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 546 | GLU | -1 | -0.796 | -0.889 | 58.334 | -4.980 | -4.980 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 547 | LYS | 1 | 0.819 | 0.903 | 60.824 | 5.165 | 5.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 548 | ARG | 1 | 0.890 | 0.913 | 53.727 | 5.718 | 5.718 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 549 | PHE | 0 | -0.018 | 0.004 | 54.984 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 550 | PHE | 0 | -0.015 | -0.042 | 57.485 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 551 | GLU | -1 | -0.855 | -0.895 | 58.024 | -5.295 | -5.295 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 552 | LYS | 1 | 0.847 | 0.896 | 49.328 | 6.318 | 6.318 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 553 | PHE | 0 | -0.029 | -0.011 | 50.489 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 554 | PRO | 0 | 0.018 | 0.017 | 56.166 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 555 | GLU | -1 | -0.947 | -0.985 | 58.401 | -5.382 | -5.382 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 556 | VAL | 0 | -0.014 | 0.026 | 57.292 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 557 | ASN | 0 | 0.012 | -0.006 | 60.358 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 558 | LYS | 1 | 0.900 | 0.952 | 62.550 | 5.024 | 5.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 559 | LEU | 0 | 0.030 | 0.027 | 65.296 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 560 | GLU | -1 | -0.877 | -0.944 | 60.718 | -5.149 | -5.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 561 | GLU | -1 | -0.768 | -0.879 | 58.726 | -5.433 | -5.433 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 562 | PHE | 0 | -0.075 | -0.032 | 62.386 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 563 | THR | 0 | 0.008 | -0.009 | 63.739 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 564 | ASN | 0 | -0.022 | -0.017 | 59.590 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 565 | LYS | 1 | 0.814 | 0.909 | 61.218 | 4.847 | 4.847 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 566 | TYR | 0 | -0.038 | -0.020 | 62.418 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 567 | LYS | 1 | 0.872 | 0.962 | 56.920 | 5.459 | 5.459 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 568 | VAL | 0 | -0.016 | -0.021 | 62.924 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 569 | LEU | 0 | 0.002 | -0.007 | 60.182 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 570 | ASP | -1 | -0.832 | -0.911 | 56.085 | -5.505 | -5.505 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 571 | VAL | 0 | -0.022 | 0.001 | 59.016 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 572 | ASN | 0 | 0.006 | -0.003 | 61.788 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 573 | TYR | 0 | 0.033 | -0.012 | 63.525 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 574 | LEU | 0 | 0.041 | 0.040 | 67.092 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 575 | GLN | 0 | 0.056 | 0.018 | 63.094 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 576 | ARG | 1 | 0.923 | 0.966 | 63.649 | 4.787 | 4.787 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 577 | LEU | 0 | -0.060 | -0.036 | 67.936 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 578 | GLU | -1 | -0.954 | -0.967 | 70.873 | -4.206 | -4.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 579 | LEU | 0 | -0.087 | -0.039 | 68.838 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 580 | ASP | -1 | -0.878 | -0.947 | 68.819 | -4.512 | -4.512 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 581 | TYR | 0 | -0.026 | -0.004 | 68.506 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 582 | MET | 0 | -0.053 | -0.019 | 63.547 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |