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: 2NKZR
Calculation Name: 4UW2-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 4UW2
Chain ID: A
UniProt ID: B6YWB8
Base Structure: X-ray
Registration Date: 2023-09-20
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 | OptH |
| 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 | 710 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -17889920.233622 |
|---|---|
| FMO2-HF: Nuclear repulsion | 17610309.856877 |
| FMO2-HF: Total energy | -279610.376745 |
| FMO2-MP2: Total energy | -280438.818365 |
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:ALA)
Summations of interaction energy for
fragment #1(A:-1:ALA)
| 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. |
| -4.134 | -2.463 | -0.026 | -0.805 | -0.839 | 0 |
Interaction energy analysis for fragmet #1(A:-1:ALA)
| 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 | 1 | MET | 0 | -0.004 | -0.004 | 3.833 | 1.312 | 2.906 | -0.025 | -0.802 | -0.767 | 0.000 |
| 4 | A | 2 | GLU | -1 | -0.856 | -0.901 | 6.245 | -1.828 | -1.828 | 0.000 | 0.000 | 0.000 | 0.000 |
| 5 | A | 3 | ILE | 0 | 0.055 | 0.011 | 8.344 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 4 | ASP | -1 | -0.994 | -1.006 | 11.097 | -0.666 | -0.666 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 5 | GLU | -1 | -0.860 | -0.935 | 7.830 | -1.666 | -1.666 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 6 | LEU | 0 | -0.005 | 0.000 | 11.154 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 7 | THR | 0 | 0.019 | -0.003 | 12.467 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 8 | ALA | 0 | -0.026 | 0.002 | 14.074 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 9 | LEU | 0 | 0.025 | -0.007 | 10.276 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 10 | GLY | 0 | 0.052 | 0.031 | 14.577 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 11 | GLY | 0 | 0.026 | -0.007 | 16.552 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 12 | LEU | 0 | -0.098 | -0.038 | 15.663 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 13 | LEU | 0 | -0.015 | -0.019 | 14.538 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 14 | HIS | 0 | -0.003 | 0.000 | 18.730 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 15 | ASP | -1 | -0.805 | -0.915 | 21.404 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 16 | ILE | 0 | -0.017 | -0.013 | 19.368 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 17 | GLY | 0 | 0.070 | 0.010 | 22.327 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 18 | LYS | 1 | 0.827 | 0.933 | 24.693 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 19 | PRO | 0 | -0.041 | -0.015 | 24.829 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 20 | VAL | 0 | 0.032 | 0.005 | 23.584 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 21 | GLN | 0 | -0.009 | 0.013 | 26.913 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 22 | ARG | 1 | 0.785 | 0.914 | 29.694 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 23 | ALA | 0 | -0.003 | -0.015 | 29.169 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 24 | GLY | 0 | -0.079 | -0.081 | 31.111 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 25 | LEU | 0 | -0.021 | 0.009 | 24.588 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 26 | TYR | 0 | 0.011 | 0.019 | 23.184 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 27 | SER | 0 | -0.031 | -0.023 | 29.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 28 | GLY | 0 | 0.023 | 0.014 | 30.071 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 29 | ASP | -1 | -0.812 | -0.912 | 29.849 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 30 | HIS | 0 | -0.001 | -0.024 | 25.742 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 31 | SER | 0 | 0.031 | 0.021 | 25.595 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 32 | THR | 0 | -0.004 | 0.005 | 24.543 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 33 | GLN | 0 | -0.071 | -0.058 | 24.574 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 34 | GLY | 0 | 0.098 | 0.031 | 22.477 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 35 | ALA | 0 | 0.030 | 0.023 | 19.833 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 36 | ARG | 1 | 0.889 | 0.939 | 19.720 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 37 | PHE | 0 | 0.001 | 0.011 | 18.712 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 38 | LEU | 0 | -0.018 | -0.010 | 15.535 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 39 | ARG | 1 | 0.953 | 0.962 | 15.400 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 40 | ASP | -1 | -0.873 | -0.922 | 16.841 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 41 | LEU | 0 | -0.043 | -0.033 | 14.442 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 42 | ALA | 0 | -0.080 | -0.019 | 12.012 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 43 | GLU | -1 | -0.926 | -0.953 | 12.386 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 44 | ASN | 0 | -0.112 | -0.054 | 14.648 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 45 | THR | 0 | -0.033 | -0.020 | 13.062 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 46 | GLY | 0 | 0.032 | 0.010 | 9.407 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 47 | ARG | 1 | 0.920 | 0.966 | 4.611 | -0.955 | -0.878 | -0.001 | -0.003 | -0.072 | 0.000 |
| 50 | A | 48 | ALA | 0 | 0.084 | 0.046 | 8.470 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 49 | GLU | -1 | -0.935 | -0.985 | 5.586 | -0.350 | -0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 50 | TYR | 0 | 0.018 | -0.012 | 8.910 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 51 | GLU | -1 | -0.874 | -0.944 | 12.143 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 52 | LEU | 0 | 0.018 | 0.028 | 11.544 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 53 | LEU | 0 | 0.002 | -0.005 | 10.484 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 54 | SER | 0 | -0.058 | -0.030 | 14.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 55 | LEU | 0 | 0.032 | 0.016 | 16.518 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 56 | PHE | 0 | -0.034 | -0.016 | 15.005 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 57 | SER | 0 | -0.052 | -0.036 | 19.871 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 58 | GLU | -1 | -0.916 | -0.918 | 21.141 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 59 | PHE | 0 | -0.033 | 0.003 | 22.582 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 67 | ASN | 0 | 0.035 | -0.016 | 28.903 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 68 | ASP | -1 | -0.820 | -0.926 | 29.195 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 69 | GLU | -1 | -0.996 | -1.002 | 29.020 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 70 | LEU | 0 | 0.022 | 0.014 | 28.021 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 71 | MET | 0 | 0.001 | 0.019 | 24.349 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 72 | ILE | 0 | -0.032 | -0.014 | 23.785 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 73 | ARG | 1 | 0.878 | 0.941 | 24.464 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 74 | ARG | 1 | 0.927 | 0.952 | 20.615 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 75 | ILE | 0 | -0.002 | 0.002 | 17.868 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 76 | LYS | 1 | 0.894 | 0.954 | 18.192 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 77 | GLU | -1 | -0.990 | -0.988 | 18.734 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 78 | LEU | 0 | -0.018 | -0.003 | 14.709 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 79 | SER | 0 | 0.017 | 0.031 | 11.696 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 80 | PRO | 0 | -0.046 | 0.046 | 12.751 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 81 | GLU | -1 | -0.945 | -0.995 | 12.587 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 82 | ARG | 1 | 0.845 | 0.874 | 5.955 | -2.077 | -2.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 83 | PHE | 0 | -0.035 | -0.014 | 6.342 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 84 | GLY | 0 | 0.031 | 0.024 | 6.724 | 0.690 | 0.690 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 85 | LEU | 0 | 0.030 | 0.025 | 9.830 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 86 | THR | 0 | 0.137 | 0.023 | 12.618 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 87 | MET | 0 | -0.060 | -0.027 | 15.502 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 88 | GLU | -1 | -0.902 | -0.967 | 17.233 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 89 | ASP | -1 | -0.912 | -0.955 | 14.177 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 90 | VAL | 0 | -0.012 | -0.004 | 15.343 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 91 | LEU | 0 | 0.038 | 0.007 | 17.486 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 92 | ASN | 0 | -0.025 | -0.042 | 19.719 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 93 | ALA | 0 | 0.035 | 0.023 | 17.106 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 94 | LEU | 0 | -0.009 | -0.005 | 19.117 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 95 | TRP | 0 | -0.049 | -0.030 | 21.335 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 96 | ILE | 0 | 0.003 | 0.009 | 20.503 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 97 | VAL | 0 | -0.010 | -0.003 | 19.722 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 98 | TYR | 0 | -0.022 | -0.012 | 22.838 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 99 | GLU | -1 | -0.903 | -0.946 | 26.259 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 100 | ALA | 0 | -0.017 | -0.015 | 24.452 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 101 | ASP | -1 | -0.838 | -0.916 | 26.406 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 102 | ASN | 0 | -0.020 | -0.008 | 28.097 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 103 | LEU | 0 | -0.104 | -0.046 | 28.330 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 104 | ALA | 0 | -0.003 | 0.011 | 27.636 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 105 | SER | 0 | -0.021 | -0.044 | 29.692 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 106 | GLY | 0 | 0.090 | 0.070 | 32.905 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 107 | GLU | -1 | -0.958 | -0.980 | 35.435 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 108 | ARG | 1 | 0.848 | 0.912 | 37.485 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 109 | GLU | -1 | -0.761 | -0.828 | 36.292 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 110 | GLU | -1 | -0.940 | -0.966 | 38.888 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 111 | GLY | 0 | 0.001 | -0.023 | 40.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 112 | GLN | 0 | -0.019 | -0.001 | 40.737 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 113 | PRO | 0 | 0.000 | 0.018 | 37.278 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 114 | GLN | 0 | 0.032 | 0.013 | 39.163 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 115 | ALA | 0 | 0.010 | 0.016 | 35.435 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 116 | SER | 0 | 0.002 | 0.005 | 35.561 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 117 | ARG | 1 | 0.933 | 0.977 | 37.894 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 118 | PRO | 0 | 0.028 | 0.022 | 36.564 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 119 | LEU | 0 | -0.029 | 0.001 | 32.738 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 120 | TYR | 0 | 0.063 | 0.020 | 36.192 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 121 | SER | 0 | -0.021 | -0.016 | 37.756 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 122 | VAL | 0 | 0.032 | 0.005 | 36.673 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 123 | PHE | 0 | -0.027 | 0.001 | 38.305 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 124 | ASN | 0 | -0.062 | -0.054 | 42.023 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 125 | PRO | 0 | 0.092 | 0.046 | 42.392 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 126 | GLY | 0 | -0.005 | 0.010 | 43.473 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 127 | LYS | 1 | 0.872 | 0.948 | 44.243 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 128 | ALA | 0 | 0.032 | 0.019 | 40.190 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 129 | TYR | 0 | -0.002 | -0.006 | 36.760 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 130 | PRO | 0 | -0.013 | 0.004 | 37.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 131 | TRP | 0 | -0.007 | -0.022 | 31.110 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 132 | ALA | 0 | 0.021 | 0.023 | 35.507 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 133 | GLU | -1 | -0.958 | -0.963 | 30.888 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 134 | LEU | 0 | -0.062 | -0.034 | 27.475 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 135 | ASP | -1 | -0.813 | -0.910 | 30.133 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 136 | PHE | 0 | -0.056 | -0.024 | 28.738 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 137 | GLU | -1 | -0.958 | -0.999 | 33.928 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 138 | LYS | 1 | 0.869 | 0.918 | 35.999 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 139 | GLU | -1 | -0.837 | -0.907 | 34.979 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 140 | LEU | 0 | -0.063 | -0.017 | 36.732 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 141 | PRO | 0 | 0.012 | 0.007 | 35.890 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 142 | VAL | 0 | 0.000 | -0.016 | 38.585 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 143 | PRO | 0 | -0.044 | -0.013 | 40.648 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 144 | GLY | 0 | 0.000 | -0.003 | 42.402 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 145 | ASP | -1 | -0.940 | -0.970 | 44.738 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 146 | VAL | 0 | -0.020 | -0.011 | 42.705 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 147 | PHE | 0 | -0.002 | 0.000 | 42.567 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 148 | SER | 0 | -0.035 | -0.024 | 40.690 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 149 | ILE | 0 | 0.001 | 0.011 | 34.706 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 150 | ARG | 1 | 0.933 | 0.963 | 37.627 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 151 | SER | 0 | 0.104 | 0.041 | 33.978 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 152 | GLN | 0 | -0.073 | -0.058 | 32.942 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 153 | ASP | -1 | -0.855 | -0.917 | 33.168 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 154 | TYR | 0 | 0.056 | 0.019 | 29.286 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 155 | ARG | 1 | 0.903 | 0.990 | 28.645 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 156 | GLU | -1 | -0.886 | -0.942 | 27.996 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 157 | LEU | 0 | -0.010 | 0.005 | 26.627 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 158 | VAL | 0 | -0.003 | -0.023 | 23.322 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 159 | LYS | 1 | 0.928 | 0.975 | 23.369 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 160 | ARG | 1 | 0.970 | 0.988 | 23.634 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 161 | LEU | 0 | -0.018 | -0.011 | 20.416 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 162 | TRP | 0 | -0.047 | -0.008 | 19.457 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 163 | GLU | -1 | -0.933 | -0.960 | 18.185 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 164 | GLU | -1 | -0.957 | -0.996 | 17.935 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 165 | LEU | 0 | -0.038 | -0.023 | 15.359 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 166 | SER | 0 | 0.019 | 0.027 | 13.426 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 167 | LYS | 1 | 0.895 | 0.973 | 12.741 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 168 | ALA | 0 | -0.112 | -0.060 | 12.983 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 169 | LYS | 1 | 0.924 | 0.946 | 8.099 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 170 | LEU | 0 | 0.065 | 0.040 | 6.573 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 171 | ARG | 1 | 0.921 | 0.959 | 7.210 | 0.781 | 0.781 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 172 | SER | 0 | 0.081 | 0.027 | 9.810 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 173 | ASP | -1 | -0.853 | -0.913 | 11.601 | -0.599 | -0.599 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 174 | ARG | 1 | 0.875 | 0.947 | 11.383 | 0.502 | 0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 175 | LEU | 0 | 0.064 | 0.022 | 12.219 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 176 | LEU | 0 | -0.016 | -0.004 | 15.158 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 177 | PRO | 0 | -0.017 | 0.000 | 16.826 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 178 | VAL | 0 | 0.027 | 0.014 | 16.787 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 179 | LEU | 0 | 0.012 | -0.006 | 17.814 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 180 | GLU | -1 | -0.833 | -0.921 | 20.843 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 181 | LYS | 1 | 0.907 | 0.975 | 22.680 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 182 | TYR | 0 | 0.002 | 0.003 | 21.754 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 183 | LEU | 0 | -0.029 | -0.006 | 22.621 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 184 | THR | 0 | 0.002 | -0.019 | 26.093 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 185 | PHE | 0 | -0.005 | -0.006 | 28.545 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 186 | VAL | 0 | 0.034 | 0.012 | 29.332 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 187 | SER | 0 | -0.021 | -0.005 | 30.726 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 188 | SER | 0 | 0.058 | 0.029 | 29.830 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 189 | VAL | 0 | -0.002 | -0.004 | 30.804 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 190 | THR | 0 | -0.040 | -0.033 | 33.679 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 191 | SER | 0 | -0.021 | -0.060 | 36.149 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 192 | GLU | -1 | -0.977 | -1.001 | 39.302 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 193 | GLY | 0 | 0.023 | 0.030 | 41.254 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 194 | ASN | 0 | -0.034 | -0.023 | 34.652 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 195 | ILE | 0 | -0.012 | -0.014 | 36.573 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 196 | ILE | 0 | -0.028 | -0.003 | 30.936 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 197 | SER | 0 | -0.001 | -0.015 | 29.509 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 198 | LEU | 0 | 0.005 | 0.004 | 25.768 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 199 | TYR | 0 | 0.025 | 0.014 | 21.386 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 200 | ASP | -1 | -0.748 | -0.882 | 24.536 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 201 | HIS | 0 | 0.009 | 0.016 | 26.099 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 202 | MET | 0 | -0.024 | -0.001 | 21.871 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 203 | ARG | 1 | 0.868 | 0.965 | 21.775 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 204 | MET | 0 | -0.008 | 0.002 | 21.752 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 205 | THR | 0 | 0.036 | 0.028 | 22.306 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 206 | SER | 0 | -0.001 | 0.009 | 17.265 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 207 | ALA | 0 | -0.027 | -0.007 | 19.428 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 208 | ILE | 0 | -0.019 | -0.028 | 21.415 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 209 | ALA | 0 | 0.033 | 0.023 | 20.184 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 210 | LEU | 0 | 0.002 | 0.009 | 15.778 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 211 | ALA | 0 | -0.019 | -0.009 | 19.100 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 212 | MET | 0 | 0.034 | 0.003 | 22.189 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 213 | LEU | 0 | 0.017 | 0.020 | 16.595 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 214 | ARG | 1 | 0.819 | 0.898 | 14.729 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 215 | ALA | 0 | -0.070 | -0.044 | 20.837 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 216 | GLY | 0 | -0.011 | 0.006 | 22.805 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 217 | CYS | 0 | -0.124 | -0.049 | 23.624 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 218 | THR | 0 | 0.014 | -0.003 | 21.377 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 219 | ALA | 0 | 0.010 | 0.015 | 23.362 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 220 | GLU | -1 | -0.986 | -0.981 | 25.383 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 228 | ARG | 1 | 1.012 | 0.992 | 31.732 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 229 | LYS | 1 | 0.947 | 0.996 | 32.584 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 230 | GLU | -1 | -0.847 | -0.929 | 31.924 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 231 | LYS | 1 | 0.885 | 0.939 | 33.438 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 232 | ARG | 1 | 0.939 | 0.966 | 27.633 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 233 | PHE | 0 | 0.028 | 0.006 | 25.825 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 234 | LEU | 0 | -0.042 | -0.021 | 28.112 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 235 | LEU | 0 | 0.000 | 0.009 | 29.061 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 236 | ILE | 0 | 0.022 | 0.006 | 27.635 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 237 | GLU | -1 | -0.840 | -0.929 | 30.443 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 238 | GLY | 0 | -0.013 | -0.014 | 32.230 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 239 | ASP | -1 | -0.856 | -0.916 | 33.095 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 240 | PHE | 0 | 0.026 | 0.016 | 32.937 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 241 | SER | 0 | 0.002 | -0.019 | 38.016 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 242 | GLY | 0 | 0.020 | 0.025 | 41.819 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 243 | ILE | 0 | 0.024 | 0.005 | 38.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 244 | GLN | 0 | 0.032 | 0.004 | 41.591 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 245 | ASP | -1 | -0.979 | -1.000 | 44.556 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 246 | PHE | 0 | 0.038 | 0.035 | 38.701 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 247 | ILE | 0 | -0.036 | -0.003 | 40.026 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 248 | TYR | 0 | -0.039 | -0.049 | 43.437 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 249 | ARG | 1 | 0.911 | 0.940 | 46.964 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 250 | VAL | 0 | 0.070 | 0.055 | 45.076 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 251 | SER | 0 | -0.037 | -0.024 | 48.283 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 252 | GLY | 0 | 0.065 | 0.025 | 49.506 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 253 | LYS | 1 | 0.818 | 0.968 | 48.588 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 254 | GLY | 0 | 0.081 | 0.030 | 47.142 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 255 | THR | 0 | 0.005 | -0.058 | 48.078 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 256 | LEU | 0 | 0.024 | 0.029 | 45.201 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 257 | LYS | 1 | 0.949 | 0.963 | 42.565 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 258 | TYR | 0 | 0.023 | 0.026 | 41.732 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 259 | LEU | 0 | -0.029 | -0.003 | 41.738 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 260 | ARG | 1 | 0.911 | 0.949 | 37.752 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 261 | ALA | 0 | -0.032 | -0.002 | 37.753 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 262 | ARG | 1 | 0.960 | 0.986 | 37.028 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 263 | SER | 0 | -0.025 | -0.012 | 37.735 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 264 | ALA | 0 | -0.015 | -0.012 | 33.721 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 265 | TYR | 0 | -0.030 | -0.025 | 32.316 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 266 | LEU | 0 | 0.033 | 0.014 | 32.632 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 267 | GLU | -1 | -0.884 | -0.950 | 30.256 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 268 | LEU | 0 | -0.025 | -0.005 | 27.427 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 269 | ILE | 0 | -0.005 | -0.006 | 28.181 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 270 | GLY | 0 | 0.027 | 0.013 | 29.610 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 271 | TRP | 0 | 0.047 | 0.002 | 23.067 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 272 | ASP | -1 | -0.718 | -0.850 | 24.755 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 273 | VAL | 0 | 0.008 | -0.006 | 25.145 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 274 | VAL | 0 | -0.012 | -0.005 | 23.355 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 275 | LEU | 0 | -0.056 | -0.033 | 19.843 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 276 | GLU | -1 | -0.843 | -0.909 | 20.433 | -0.258 | -0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 277 | ILE | 0 | -0.033 | -0.021 | 22.266 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 278 | LEU | 0 | -0.082 | -0.048 | 18.571 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 279 | SER | 0 | 0.018 | 0.023 | 17.025 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 280 | ARG | 1 | 0.867 | 0.940 | 17.587 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 281 | LEU | 0 | 0.007 | 0.023 | 19.753 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 282 | GLY | 0 | 0.038 | 0.032 | 16.317 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 283 | LEU | 0 | -0.057 | -0.022 | 16.542 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 284 | THR | 0 | 0.074 | 0.029 | 14.507 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 285 | ARG | 1 | 0.956 | 0.966 | 17.166 | 0.312 | 0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 286 | ALA | 0 | -0.001 | -0.004 | 18.807 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 287 | ASN | 0 | -0.001 | -0.029 | 20.062 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 288 | VAL | 0 | -0.028 | 0.001 | 22.163 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 289 | VAL | 0 | -0.008 | 0.005 | 24.303 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 290 | PHE | 0 | -0.016 | -0.023 | 27.244 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 291 | ASN | 0 | 0.001 | -0.017 | 26.191 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 292 | ALA | 0 | 0.024 | 0.012 | 28.857 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 293 | GLY | 0 | -0.013 | 0.002 | 31.604 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 294 | GLY | 0 | 0.016 | -0.001 | 32.699 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 295 | HIS | 0 | -0.035 | -0.013 | 33.748 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 296 | PHE | 0 | 0.019 | 0.002 | 28.658 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 297 | MET | 0 | -0.059 | -0.023 | 29.588 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 298 | ILE | 0 | -0.022 | -0.011 | 24.087 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 299 | ILE | 0 | 0.016 | 0.016 | 25.579 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 300 | ALA | 0 | 0.034 | 0.031 | 24.353 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 301 | GLN | 0 | 0.101 | 0.054 | 22.106 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 302 | ASN | 0 | -0.073 | -0.032 | 26.031 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 303 | THR | 0 | 0.055 | 0.021 | 25.006 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 304 | PRO | 0 | -0.002 | -0.025 | 27.881 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 305 | ASP | -1 | -0.908 | -0.937 | 23.063 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 306 | ALA | 0 | 0.059 | 0.029 | 25.232 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 307 | VAL | 0 | -0.027 | -0.024 | 26.106 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 308 | LYS | 1 | 0.974 | 0.999 | 27.880 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 309 | GLU | -1 | -0.828 | -0.934 | 23.110 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 310 | LEU | 0 | -0.048 | -0.018 | 26.989 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 311 | GLU | -1 | -1.026 | -1.028 | 28.956 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 312 | GLU | -1 | -0.940 | -0.942 | 27.723 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 313 | ILE | 0 | -0.017 | -0.010 | 24.771 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 314 | ARG | 1 | 0.906 | 0.961 | 29.207 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 315 | ALA | 0 | -0.003 | -0.004 | 32.562 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 316 | LYS | 1 | 0.990 | 1.005 | 31.152 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 317 | ALA | 0 | -0.022 | -0.022 | 31.276 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 318 | VAL | 0 | -0.090 | -0.048 | 33.039 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 319 | GLU | -1 | -0.908 | -0.952 | 35.888 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 320 | TRP | 0 | -0.066 | -0.030 | 33.781 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 321 | LEU | 0 | 0.038 | 0.009 | 35.279 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 322 | TYR | 0 | 0.052 | -0.044 | 37.872 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 323 | ARG | 1 | 0.909 | 0.940 | 34.876 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 324 | GLU | -1 | -0.950 | -0.953 | 36.450 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 325 | PHE | 0 | -0.036 | -0.031 | 36.231 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 326 | GLU | -1 | -1.030 | -0.887 | 41.604 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 327 | SER | 0 | -0.073 | -0.050 | 43.709 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 328 | ASP | -1 | -0.830 | -0.930 | 42.962 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 329 | LEU | 0 | -0.068 | -0.023 | 37.776 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 330 | TYR | 0 | -0.021 | -0.016 | 39.614 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 331 | LEU | 0 | -0.003 | -0.016 | 32.349 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 332 | ALA | 0 | -0.067 | -0.028 | 36.790 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 333 | ILE | 0 | 0.030 | 0.016 | 30.606 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 334 | GLU | -1 | -0.883 | -0.951 | 34.424 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 335 | TRP | 0 | 0.062 | 0.023 | 31.690 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 336 | GLU | -1 | -0.938 | -0.977 | 33.582 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 337 | PRO | 0 | -0.055 | -0.026 | 33.105 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 338 | VAL | 0 | -0.008 | 0.011 | 32.066 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 339 | SER | 0 | -0.034 | -0.029 | 33.020 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 340 | GLY | 0 | 0.058 | 0.025 | 31.767 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 341 | ARG | 1 | 0.932 | 0.963 | 32.547 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 342 | GLU | -1 | -0.954 | -0.973 | 35.495 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 343 | PHE | 0 | 0.049 | 0.006 | 29.680 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 344 | GLY | 0 | 0.058 | 0.027 | 34.717 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 345 | ARG | 1 | 0.804 | 0.916 | 37.453 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 346 | GLU | -1 | -0.909 | -0.962 | 40.688 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 347 | GLY | 0 | 0.002 | 0.002 | 43.298 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 348 | GLY | 0 | -0.014 | -0.007 | 45.873 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 349 | LYS | 1 | 0.932 | 0.968 | 44.880 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 350 | ASN | 0 | 0.032 | 0.004 | 40.430 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 351 | LEU | 0 | 0.065 | 0.025 | 39.267 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 352 | PHE | 0 | 0.061 | 0.049 | 32.633 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 353 | ALA | 0 | 0.047 | 0.012 | 37.685 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 354 | GLU | -1 | -0.933 | -0.972 | 39.857 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 355 | ALA | 0 | 0.011 | 0.005 | 37.051 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 356 | ARG | 1 | 0.912 | 0.961 | 34.336 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 357 | LYS | 1 | 0.919 | 0.967 | 38.015 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 358 | ARG | 1 | 0.901 | 0.948 | 38.460 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 359 | LEU | 0 | -0.012 | 0.009 | 33.773 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 360 | LYS | 1 | 0.953 | 0.966 | 38.369 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 361 | HIS | 0 | -0.025 | -0.003 | 40.274 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 362 | LYS | 1 | 0.907 | 0.959 | 37.586 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 363 | LEU | 0 | 0.019 | 0.012 | 36.417 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 364 | THR | 0 | -0.002 | -0.009 | 40.505 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 365 | VAL | 0 | 0.010 | 0.010 | 44.053 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 366 | ARG | 1 | 0.841 | 0.896 | 38.473 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 367 | LYS | 1 | 0.908 | 0.982 | 39.650 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 368 | LEU | 0 | -0.071 | -0.015 | 44.152 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 369 | LYS | 1 | 0.964 | 1.004 | 44.469 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 425 | ASN | 0 | -0.030 | -0.036 | 35.444 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 426 | LEU | 0 | 0.020 | 0.008 | 36.720 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 427 | PRO | 0 | 0.000 | 0.028 | 34.649 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 428 | LYS | 1 | 0.913 | 0.938 | 28.034 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 429 | LEU | 0 | -0.004 | 0.012 | 29.108 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 430 | LEU | 0 | -0.084 | -0.071 | 26.377 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 431 | GLY | 0 | 0.040 | 0.020 | 25.246 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 432 | PHE | 0 | -0.008 | -0.009 | 24.853 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 433 | GLY | 0 | 0.036 | 0.026 | 21.472 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 434 | ARG | 1 | 0.824 | 0.899 | 20.170 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 435 | THR | 0 | 0.005 | 0.004 | 20.141 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 436 | ALA | 0 | 0.086 | 0.040 | 22.022 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 437 | LYS | 1 | 0.834 | 0.913 | 23.337 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 438 | ASN | 0 | -0.035 | -0.012 | 25.575 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 439 | ASP | -1 | -0.912 | -0.944 | 23.563 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 440 | ALA | 0 | 0.031 | 0.011 | 27.021 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 441 | GLY | 0 | -0.061 | -0.035 | 28.014 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 442 | VAL | 0 | 0.001 | 0.004 | 27.068 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 443 | LEU | 0 | -0.080 | -0.041 | 29.571 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 444 | VAL | 0 | -0.053 | -0.031 | 31.056 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 445 | GLU | -1 | -0.860 | -0.923 | 30.435 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 446 | GLY | 0 | 0.044 | 0.031 | 29.408 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 447 | PRO | 0 | -0.041 | -0.014 | 28.653 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 448 | PHE | 0 | -0.073 | -0.046 | 25.348 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 449 | SER | 0 | -0.045 | -0.010 | 23.466 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 450 | GLY | 0 | 0.055 | 0.049 | 25.296 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 451 | PHE | 0 | 0.016 | -0.006 | 24.047 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 452 | VAL | 0 | 0.025 | 0.027 | 24.834 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 453 | PRO | 0 | -0.016 | 0.000 | 26.078 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 454 | TYR | 0 | 0.100 | 0.028 | 23.670 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 455 | LEU | 0 | -0.063 | -0.020 | 26.808 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 456 | GLN | 0 | 0.076 | 0.032 | 25.648 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 457 | GLY | 0 | -0.018 | 0.008 | 26.816 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 458 | GLY | 0 | 0.046 | 0.017 | 27.545 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 459 | ARG | 1 | 0.875 | 0.931 | 22.382 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 460 | PRO | 0 | -0.004 | 0.001 | 18.840 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 461 | VAL | 0 | 0.015 | 0.026 | 18.596 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 462 | GLY | 0 | 0.044 | 0.011 | 17.453 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 463 | GLU | -1 | -0.886 | -0.940 | 13.933 | -0.406 | -0.406 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 464 | GLN | 0 | 0.026 | 0.007 | 14.968 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 465 | ILE | 0 | -0.002 | 0.005 | 17.252 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 466 | LEU | 0 | -0.036 | -0.009 | 19.745 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 467 | VAL | 0 | -0.007 | 0.007 | 20.519 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 468 | LYS | 1 | 0.949 | 0.984 | 23.381 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 469 | ASN | 0 | -0.045 | -0.028 | 26.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 470 | THR | 0 | 0.020 | 0.006 | 23.680 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 471 | LEU | 0 | 0.021 | 0.008 | 22.596 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 472 | ASN | 0 | -0.057 | -0.051 | 20.059 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 473 | PRO | 0 | -0.013 | 0.033 | 15.893 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 474 | GLY | 0 | -0.047 | -0.023 | 17.027 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 475 | GLU | -1 | -0.864 | -0.947 | 15.963 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 476 | ILE | 0 | 0.000 | -0.009 | 12.633 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 477 | PRO | 0 | -0.032 | -0.025 | 8.767 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 478 | GLU | -1 | -0.950 | -0.956 | 8.238 | -0.525 | -0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 479 | SER | 0 | -0.015 | -0.025 | 7.153 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 480 | ALA | 0 | 0.006 | 0.006 | 8.937 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 481 | GLN | 0 | -0.027 | -0.007 | 10.720 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 482 | PHE | 0 | 0.008 | -0.007 | 13.995 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 483 | VAL | 0 | -0.035 | -0.023 | 16.480 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 484 | PRO | 0 | -0.035 | 0.006 | 19.541 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 485 | TYR | 0 | -0.012 | -0.015 | 22.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 486 | PHE | 0 | 0.028 | 0.009 | 26.040 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 487 | VAL | 0 | -0.040 | -0.023 | 29.385 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 488 | ALA | 0 | 0.018 | 0.027 | 32.620 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 489 | ASP | -1 | -0.869 | -0.948 | 33.746 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 490 | TYR | 0 | 0.049 | 0.033 | 36.843 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 491 | PHE | 0 | -0.059 | -0.054 | 37.665 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 492 | LYS | 1 | 0.909 | 0.981 | 42.212 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 493 | LYS | 1 | 0.968 | 0.966 | 40.284 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 494 | ASP | -1 | -0.873 | -0.936 | 44.216 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 495 | PRO | 0 | -0.024 | -0.018 | 45.389 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 496 | LYS | 1 | 0.944 | 0.964 | 45.424 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 497 | GLY | 0 | -0.022 | 0.000 | 41.881 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 498 | GLY | 0 | 0.042 | 0.026 | 41.080 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 499 | VAL | 0 | -0.063 | -0.035 | 40.903 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 500 | ALA | 0 | 0.064 | 0.053 | 43.659 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 501 | THR | 0 | -0.066 | -0.037 | 46.814 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 502 | PHE | 0 | 0.036 | -0.016 | 48.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 503 | GLU | -1 | -0.885 | -0.957 | 51.697 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 504 | GLU | -1 | -0.860 | -0.938 | 49.419 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 505 | LEU | 0 | -0.007 | 0.013 | 48.054 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 506 | SER | 0 | -0.002 | -0.003 | 52.075 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 507 | MET | 0 | -0.060 | -0.028 | 54.985 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 508 | ALA | 0 | 0.008 | 0.022 | 53.725 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 509 | SER | 0 | -0.079 | -0.034 | 55.803 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 510 | THR | 0 | -0.020 | -0.004 | 57.507 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 511 | GLY | 0 | 0.000 | -0.001 | 60.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 512 | THR | 0 | -0.126 | -0.074 | 62.029 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 513 | ARG | 1 | 0.988 | 0.983 | 59.915 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 514 | ARG | 1 | 0.873 | 0.957 | 59.217 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 515 | LEU | 0 | 0.088 | 0.047 | 51.625 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 516 | GLY | 0 | -0.007 | -0.017 | 53.749 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 517 | VAL | 0 | -0.035 | -0.014 | 50.206 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 518 | MET | 0 | 0.004 | 0.005 | 47.730 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 519 | LYS | 1 | 0.940 | 0.978 | 47.448 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 520 | GLY | 0 | 0.014 | -0.019 | 47.022 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 521 | ASP | -1 | -0.804 | -0.871 | 44.890 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 522 | VAL | 0 | 0.029 | 0.007 | 42.263 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 523 | ASP | -1 | -0.515 | -0.553 | 45.465 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 524 | ARG | 1 | 0.869 | 0.933 | 47.301 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 525 | LEU | 0 | 0.100 | 0.056 | 39.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 526 | GLY | 0 | -0.011 | -0.012 | 42.055 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 527 | GLU | -1 | -0.947 | -0.977 | 42.765 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 528 | PHE | 0 | 0.019 | 0.003 | 39.061 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 529 | PHE | 0 | -0.009 | -0.019 | 37.148 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 530 | SER | 0 | -0.009 | -0.008 | 39.678 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 531 | SER | 0 | -0.061 | -0.018 | 42.312 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 532 | MET | 0 | -0.049 | 0.013 | 37.028 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 533 | ASP | -1 | -0.834 | -0.920 | 38.350 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 534 | SER | 0 | 0.060 | 0.045 | 33.653 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 535 | PRO | 0 | -0.003 | -0.006 | 29.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 536 | SER | 0 | 0.055 | -0.002 | 30.151 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 537 | LYS | 1 | 0.815 | 0.887 | 31.174 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 538 | LEU | 0 | 0.000 | -0.003 | 31.801 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 539 | ALA | 0 | 0.001 | 0.011 | 28.343 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 540 | THR | 0 | 0.004 | -0.002 | 30.394 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 541 | ALA | 0 | -0.042 | -0.029 | 32.241 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 542 | SER | 0 | -0.074 | -0.047 | 31.703 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 543 | ARG | 1 | 0.883 | 0.954 | 27.421 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 544 | PHE | 0 | 0.008 | -0.003 | 31.432 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 545 | MET | 0 | -0.012 | 0.019 | 34.271 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 546 | ASP | -1 | -0.926 | -0.970 | 32.012 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 547 | TYR | 0 | -0.003 | -0.010 | 27.534 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 548 | PHE | 0 | -0.026 | 0.015 | 33.777 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 549 | PHE | 0 | -0.010 | -0.022 | 37.489 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 550 | LYS | 1 | 0.902 | 0.946 | 32.926 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 551 | GLY | 0 | 0.044 | 0.036 | 33.799 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 552 | TYR | 0 | 0.012 | -0.010 | 34.067 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 553 | ILE | 0 | -0.027 | -0.013 | 37.519 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 554 | GLY | 0 | 0.038 | 0.018 | 38.046 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 555 | ALA | 0 | 0.087 | 0.048 | 38.389 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 556 | ILE | 0 | -0.065 | -0.034 | 40.124 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 557 | ILE | 0 | -0.037 | -0.021 | 41.571 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 558 | GLU | -1 | -0.910 | -0.952 | 39.555 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 559 | GLY | 0 | -0.060 | -0.021 | 43.752 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 560 | LYS | 1 | 0.901 | 0.960 | 40.312 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 561 | PHE | 0 | -0.001 | -0.005 | 38.705 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 562 | GLY | 0 | 0.040 | 0.017 | 44.592 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 563 | TYR | 0 | -0.001 | 0.007 | 47.456 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 564 | ILE | 0 | 0.008 | 0.014 | 44.402 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 565 | ILE | 0 | -0.044 | -0.013 | 45.781 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 566 | GLY | 0 | 0.021 | 0.025 | 49.259 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 567 | ASP | -1 | -0.920 | -0.959 | 52.441 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 568 | VAL | 0 | -0.033 | -0.021 | 52.163 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 569 | PRO | 0 | -0.057 | -0.039 | 55.435 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 570 | SER | 0 | 0.023 | 0.015 | 55.923 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 571 | LEU | 0 | -0.027 | -0.015 | 57.566 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 572 | ARG | 1 | 0.838 | 0.945 | 54.486 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 573 | ASP | -1 | -0.807 | -0.881 | 55.040 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 574 | TRP | 0 | -0.091 | -0.060 | 47.065 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 575 | PRO | 0 | -0.041 | -0.031 | 50.111 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 576 | GLU | -1 | -0.923 | -0.941 | 47.241 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 577 | GLU | -1 | -0.926 | -0.970 | 44.241 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 578 | PRO | 0 | -0.002 | 0.008 | 45.373 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 579 | ASP | -1 | -0.818 | -0.926 | 46.838 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 580 | ILE | 0 | -0.030 | -0.032 | 44.979 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 581 | VAL | 0 | -0.037 | -0.034 | 43.024 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 582 | VAL | 0 | 0.012 | 0.016 | 40.237 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 583 | VAL | 0 | -0.084 | -0.026 | 40.836 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 584 | TYR | 0 | -0.012 | -0.075 | 38.819 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 585 | ALA | 0 | 0.035 | 0.018 | 38.391 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 586 | GLY | 0 | -0.003 | -0.015 | 37.558 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 587 | GLY | 0 | 0.020 | 0.016 | 38.424 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 588 | ASP | -1 | -0.908 | -0.967 | 39.157 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 589 | ASP | -1 | -0.798 | -0.874 | 41.280 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 590 | PHE | 0 | -0.053 | 0.002 | 41.478 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 591 | PHE | 0 | -0.004 | -0.003 | 43.091 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 592 | ILE | 0 | 0.021 | -0.003 | 43.688 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 593 | VAL | 0 | -0.011 | -0.010 | 45.953 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 594 | GLY | 0 | 0.072 | 0.020 | 47.640 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 595 | ALA | 0 | 0.064 | 0.049 | 50.145 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 596 | TRP | 0 | -0.014 | -0.020 | 53.283 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 597 | ASP | -1 | -0.869 | -0.946 | 55.640 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 598 | GLN | 0 | 0.055 | 0.020 | 50.804 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 599 | ILE | 0 | -0.039 | 0.003 | 49.435 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 600 | PHE | 0 | -0.046 | -0.037 | 52.011 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 601 | GLU | -1 | -0.746 | -0.854 | 52.232 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 602 | LEU | 0 | 0.012 | 0.015 | 45.906 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 603 | ALA | 0 | 0.007 | -0.004 | 48.920 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 604 | PHE | 0 | -0.044 | -0.035 | 50.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 605 | ARG | 1 | 0.850 | 0.919 | 47.981 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 606 | VAL | 0 | 0.041 | 0.024 | 44.570 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 607 | ARG | 1 | 0.885 | 0.956 | 46.217 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 608 | ARG | 1 | 0.862 | 0.911 | 48.256 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 609 | ALA | 0 | 0.045 | 0.036 | 43.981 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 610 | PHE | 0 | 0.037 | 0.016 | 41.648 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 611 | ASN | 0 | -0.036 | -0.010 | 44.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 612 | ALA | 0 | -0.001 | -0.009 | 45.607 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 613 | TYR | 0 | -0.053 | -0.041 | 36.034 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 614 | THR | 0 | -0.008 | -0.020 | 41.422 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 615 | GLY | 0 | -0.012 | -0.015 | 43.419 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 616 | GLY | 0 | -0.041 | -0.018 | 45.918 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 617 | LYS | 1 | 0.803 | 0.911 | 45.741 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 618 | LEU | 0 | 0.001 | 0.013 | 42.257 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 619 | THR | 0 | -0.222 | -0.162 | 46.429 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 620 | LEU | 0 | 0.015 | 0.000 | 44.785 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 621 | SER | 0 | 0.013 | 0.001 | 48.753 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 622 | VAL | 0 | -0.014 | -0.010 | 49.284 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 623 | GLY | 0 | -0.009 | 0.008 | 51.724 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 624 | LEU | 0 | -0.029 | -0.011 | 52.694 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 625 | GLY | 0 | -0.016 | -0.004 | 54.658 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 626 | TYR | 0 | -0.012 | -0.017 | 55.783 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 627 | PHE | 0 | -0.006 | 0.004 | 55.204 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 628 | ASP | -1 | -0.901 | -0.965 | 58.902 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 629 | GLU | -1 | -0.893 | -0.963 | 56.625 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 630 | ARG | 1 | 0.933 | 0.978 | 56.212 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 631 | THR | 0 | -0.026 | -0.018 | 56.803 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 632 | PRO | 0 | -0.015 | 0.002 | 54.726 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 633 | ILE | 0 | 0.066 | 0.013 | 48.878 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 634 | TYR | 0 | 0.082 | 0.027 | 51.512 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 635 | ARG | 1 | 0.943 | 1.003 | 52.508 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 636 | MET | 0 | -0.046 | -0.020 | 53.179 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 637 | ALA | 0 | 0.021 | 0.013 | 50.513 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 638 | ASP | -1 | -0.859 | -0.910 | 52.491 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 639 | VAL | 0 | -0.064 | -0.020 | 54.588 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 640 | VAL | 0 | -0.017 | -0.018 | 51.850 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 641 | SER | 0 | -0.020 | -0.049 | 51.241 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 642 | GLU | -1 | -0.828 | -0.894 | 52.805 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 643 | ARG | 1 | 0.788 | 0.883 | 56.215 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 644 | LEU | 0 | -0.054 | -0.013 | 49.277 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 645 | ASP | -1 | -0.847 | -0.922 | 53.080 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 646 | THR | 0 | -0.031 | -0.009 | 55.028 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 647 | ALA | 0 | -0.011 | -0.008 | 54.863 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 648 | LYS | 1 | 0.841 | 0.872 | 48.811 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 649 | ASP | -1 | -0.923 | -0.952 | 54.880 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 650 | GLU | -1 | -0.749 | -0.822 | 58.109 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 651 | GLY | 0 | 0.001 | -0.031 | 57.663 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 652 | ARG | 1 | 0.678 | 0.626 | 51.301 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 653 | ASN | 0 | 0.096 | 0.192 | 52.202 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 654 | ARG | 1 | 0.729 | 0.857 | 53.488 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 655 | VAL | 0 | 0.086 | 0.050 | 54.127 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 656 | PHE | 0 | -0.016 | -0.010 | 55.740 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 657 | VAL | 0 | 0.005 | 0.013 | 57.172 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 658 | VAL | 0 | 0.029 | -0.001 | 58.740 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 659 | GLY | 0 | -0.028 | -0.002 | 61.284 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 660 | ARG | 1 | 0.774 | 0.874 | 63.416 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 661 | SER | 0 | 0.011 | 0.001 | 66.965 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 662 | ARG | 1 | 0.953 | 0.964 | 65.287 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 663 | PRO | 0 | 0.036 | 0.045 | 71.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 664 | LEU | 0 | -0.053 | -0.033 | 70.620 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 665 | ASP | -1 | -0.767 | -0.905 | 72.699 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 666 | GLY | 0 | -0.026 | -0.004 | 69.530 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 667 | LYS | 1 | 0.893 | 0.951 | 69.710 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 668 | HIS | 0 | -0.002 | 0.044 | 69.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 669 | LYS | 1 | 0.916 | 0.966 | 61.948 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 670 | LEU | 0 | -0.056 | -0.002 | 62.785 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 671 | SER | 0 | -0.043 | -0.063 | 58.404 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 672 | TYR | 0 | -0.022 | -0.015 | 59.568 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 673 | GLU | -1 | -0.878 | -0.931 | 58.182 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 674 | TRP | 0 | -0.009 | -0.029 | 51.528 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 675 | ASN | 0 | 0.047 | 0.006 | 55.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 676 | HIS | 0 | 0.060 | 0.050 | 58.369 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 677 | TYR | 0 | -0.002 | -0.032 | 59.035 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 678 | GLU | -1 | -0.828 | -0.931 | 54.779 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 679 | GLU | -1 | -0.943 | -0.951 | 59.656 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 680 | LEU | 0 | -0.038 | -0.005 | 62.776 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 681 | TRP | 0 | 0.027 | 0.007 | 60.943 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 682 | ARG | 1 | 0.985 | 0.983 | 59.848 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 683 | THR | 0 | -0.027 | -0.018 | 63.398 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 684 | TYR | 0 | -0.069 | -0.069 | 66.837 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | A | 685 | ALA | 0 | 0.026 | 0.019 | 64.456 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | A | 686 | PRO | 0 | 0.031 | 0.027 | 65.022 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | A | 687 | ARG | 1 | 0.769 | 0.918 | 67.411 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | A | 688 | ILE | 0 | -0.022 | -0.007 | 68.571 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | A | 689 | TYR | 0 | -0.077 | -0.060 | 61.776 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | A | 690 | ALA | 0 | -0.047 | -0.054 | 67.018 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | A | 691 | GLY | 0 | 0.063 | 0.055 | 62.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | A | 692 | ASN | 0 | 0.006 | -0.012 | 59.067 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | A | 693 | GLY | 0 | 0.039 | 0.010 | 62.292 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | A | 694 | ARG | 1 | 0.893 | 0.963 | 64.252 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | A | 695 | LEU | 0 | 0.022 | 0.018 | 67.449 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | A | 696 | LYS | 1 | 0.887 | 0.922 | 68.172 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | A | 697 | GLY | 0 | 0.070 | 0.034 | 71.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | A | 698 | LYS | 1 | 0.936 | 0.960 | 74.808 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | A | 699 | LEU | 0 | -0.029 | -0.017 | 72.554 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | A | 700 | GLU | -1 | -0.827 | -0.906 | 75.551 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | A | 701 | SER | 0 | -0.088 | -0.051 | 77.494 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | A | 702 | LYS | 1 | 0.892 | 0.956 | 78.099 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | A | 703 | LYS | 1 | 1.006 | 0.995 | 73.875 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | A | 704 | GLY | 0 | -0.020 | -0.007 | 75.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | A | 705 | LEU | 0 | 0.011 | 0.002 | 76.366 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | A | 706 | LEU | 0 | 0.033 | 0.015 | 71.244 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | A | 707 | TRP | 0 | 0.036 | 0.005 | 71.343 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | A | 708 | LYS | 1 | 0.946 | 0.989 | 74.851 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | A | 709 | LEU | 0 | 0.031 | 0.009 | 75.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | A | 710 | LEU | 0 | -0.057 | -0.015 | 70.656 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | A | 711 | GLU | -1 | -0.915 | -0.961 | 74.719 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | A | 712 | ILE | 0 | -0.009 | -0.001 | 77.501 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | A | 713 | ARG | 1 | 0.808 | 0.902 | 69.838 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | A | 714 | GLU | -1 | -0.879 | -0.931 | 73.129 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | A | 715 | LEU | 0 | -0.061 | -0.025 | 76.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | A | 716 | TYR | 0 | -0.001 | -0.028 | 73.714 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | A | 717 | VAL | 0 | -0.065 | -0.032 | 73.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | A | 718 | ARG | 1 | 0.902 | 0.942 | 75.878 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | A | 719 | ASP | -1 | -0.910 | -0.957 | 78.924 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | A | 720 | PRO | 0 | 0.002 | 0.008 | 76.529 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | A | 721 | ASN | 0 | -0.051 | -0.014 | 78.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | A | 722 | ASP | -1 | -0.735 | -0.865 | 81.903 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | A | 723 | VAL | 0 | -0.033 | 0.004 | 82.518 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | A | 724 | ARG | 1 | 0.842 | 0.905 | 82.298 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | A | 725 | TRP | 0 | 0.014 | -0.007 | 78.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | A | 726 | ALA | 0 | 0.043 | 0.062 | 81.297 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 660 | A | 727 | TYR | 0 | 0.019 | 0.001 | 82.306 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 661 | A | 728 | LEU | 0 | -0.022 | -0.008 | 82.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 662 | A | 729 | THR | 0 | -0.104 | -0.089 | 78.072 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 663 | A | 730 | ALA | 0 | 0.053 | 0.026 | 81.484 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 664 | A | 731 | TYR | 0 | 0.020 | 0.005 | 84.183 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 665 | A | 732 | LEU | 0 | -0.016 | -0.006 | 80.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 666 | A | 733 | LEU | 0 | 0.047 | 0.013 | 79.056 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 667 | A | 734 | GLY | 0 | 0.030 | 0.027 | 82.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 668 | A | 735 | ARG | 1 | 0.880 | 0.945 | 86.054 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 669 | A | 736 | HIS | 0 | -0.001 | -0.004 | 81.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 670 | A | 737 | GLY | 0 | 0.004 | 0.015 | 83.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 671 | A | 738 | LEU | 0 | -0.065 | -0.045 | 77.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 672 | A | 739 | SER | 0 | -0.001 | -0.016 | 80.703 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 673 | A | 740 | ASP | -1 | -0.877 | -0.922 | 78.947 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 674 | A | 741 | LEU | 0 | -0.045 | -0.012 | 75.438 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 675 | A | 742 | PHE | 0 | -0.050 | -0.057 | 71.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 676 | A | 743 | PRO | 0 | 0.061 | 0.036 | 75.067 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 677 | A | 744 | GLU | -1 | -0.725 | -0.869 | 73.363 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 678 | A | 745 | LEU | 0 | -0.045 | -0.026 | 73.240 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 679 | A | 746 | VAL | 0 | 0.019 | 0.029 | 77.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 680 | A | 747 | GLY | 0 | -0.019 | 0.000 | 80.141 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 681 | A | 748 | ILE | 0 | 0.007 | 0.005 | 80.122 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 682 | A | 749 | ASP | -1 | -0.852 | -0.967 | 75.471 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 683 | A | 750 | THR | 0 | 0.031 | -0.005 | 78.295 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 684 | A | 751 | LYS | 1 | 0.909 | 0.966 | 77.038 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 685 | A | 752 | ALA | 0 | 0.050 | 0.043 | 73.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 686 | A | 753 | VAL | 0 | -0.021 | -0.006 | 74.495 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 687 | A | 754 | GLU | -1 | -0.965 | -0.977 | 76.383 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 688 | A | 755 | ARG | 1 | 0.921 | 0.963 | 68.111 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 689 | A | 756 | LYS | 1 | 0.891 | 0.956 | 70.504 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 690 | A | 757 | GLU | -1 | -0.900 | -0.955 | 68.297 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 691 | A | 758 | PRO | 0 | -0.066 | -0.003 | 69.532 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 692 | A | 759 | GLN | 0 | 0.039 | -0.004 | 72.433 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 693 | A | 760 | PRO | 0 | 0.053 | 0.021 | 71.308 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 694 | A | 761 | VAL | 0 | 0.013 | -0.002 | 71.567 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 695 | A | 762 | TYR | 0 | -0.037 | -0.051 | 67.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 696 | A | 763 | TRP | 0 | 0.045 | 0.029 | 64.583 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 697 | A | 764 | VAL | 0 | 0.046 | 0.036 | 67.268 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 698 | A | 765 | ASP | -1 | -0.760 | -0.915 | 68.126 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 699 | A | 766 | GLY | 0 | -0.031 | -0.006 | 64.571 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 700 | A | 767 | VAL | 0 | -0.002 | 0.015 | 63.661 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 701 | A | 768 | LEU | 0 | 0.016 | 0.003 | 65.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 702 | A | 769 | LYS | 1 | 0.881 | 0.943 | 65.897 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 703 | A | 770 | ILE | 0 | 0.024 | 0.021 | 60.928 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 704 | A | 771 | VAL | 0 | 0.069 | 0.035 | 63.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 705 | A | 772 | LEU | 0 | -0.019 | -0.021 | 65.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 706 | A | 773 | MET | 0 | -0.122 | -0.056 | 62.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 707 | A | 774 | ALA | 0 | 0.043 | 0.036 | 62.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 708 | A | 775 | VAL | 0 | -0.010 | -0.009 | 63.883 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 709 | A | 776 | ARG | 1 | 0.867 | 0.963 | 66.178 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 710 | A | 777 | ARG | 1 | 1.005 | 1.008 | 67.580 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |