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: 5NY7Z
Calculation Name: 1HQN-B-Xray540
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1HQN
Chain ID: B
UniProt ID: P22535
Base Structure: X-ray
Registration Date: 2025-07-08
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | 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 | 700 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -5904272.832428 |
|---|---|
| FMO2-HF: Nuclear repulsion | 5761942.636015 |
| FMO2-HF: Total energy | -142330.196414 |
| FMO2-MP2: Total energy | -142748.765458 |
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(B:15:LEU)
Summations of interaction energy for
fragment #1(B:15:LEU)
| 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. |
| -2.925 | -0.106 | 3.557 | -3.078 | -3.297 | -0.007 |
Interaction energy analysis for fragmet #1(B:15:LEU)
| frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 4 | B | 16 | ARG | 1 | 0.856 | 1.078 | 4.555 | -0.523 | -0.265 | 0.000 | -0.117 | -0.141 | 0.000 |
| 5 | B | 17 | ASN | 0 | 0.062 | -0.082 | 2.888 | -2.830 | -1.186 | 0.061 | -0.798 | -0.907 | 0.004 |
| 6 | B | 17 | ASN | 0 | -0.058 | 0.082 | 3.471 | -0.219 | 0.001 | 0.003 | -0.043 | -0.180 | 0.000 |
| 7 | B | 18 | GLN | 0 | 0.061 | -0.127 | 3.071 | -0.415 | -0.054 | 0.058 | -0.119 | -0.299 | 0.002 |
| 8 | B | 18 | GLN | 0 | -0.004 | 0.130 | 2.405 | 0.344 | 0.627 | 3.436 | -1.976 | -1.743 | -0.013 |
| 9 | B | 19 | GLN | 0 | 0.154 | -0.063 | 4.567 | 0.028 | 0.081 | -0.001 | -0.025 | -0.027 | 0.000 |
| 10 | B | 19 | GLN | 0 | -0.090 | 0.109 | 5.469 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | B | 20 | ALA | 0 | 0.079 | -0.107 | 6.493 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | B | 20 | ALA | 0 | -0.086 | 0.102 | 8.249 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | B | 21 | MET | 0 | 0.081 | -0.097 | 7.928 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | B | 21 | MET | 0 | -0.073 | 0.104 | 8.157 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | B | 22 | ALA | 0 | 0.104 | -0.087 | 8.716 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | B | 22 | ALA | 0 | -0.060 | 0.110 | 9.101 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | B | 23 | ALA | 0 | 0.086 | -0.103 | 10.530 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | B | 23 | ALA | 0 | -0.099 | 0.098 | 11.743 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | B | 24 | ASN | 0 | 0.083 | -0.077 | 12.198 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | B | 24 | ASN | 0 | -0.116 | 0.056 | 12.915 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | B | 25 | LEU | 0 | 0.124 | -0.085 | 13.419 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | B | 25 | LEU | 0 | -0.107 | 0.105 | 13.635 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | B | 26 | GLN | 0 | 0.139 | -0.075 | 14.796 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | B | 26 | GLN | 0 | -0.107 | 0.077 | 15.334 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | B | 27 | ALA | 0 | 0.139 | -0.104 | 16.499 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | B | 27 | ALA | 0 | -0.080 | 0.113 | 17.420 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | B | 28 | ARG | 0 | 0.131 | -0.082 | 17.963 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | B | 28 | ARG | 1 | 0.654 | 0.920 | 17.824 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | B | 29 | GLN | 0 | 0.040 | -0.113 | 19.353 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | B | 29 | GLN | 0 | -0.100 | 0.085 | 18.875 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | B | 30 | ILE | 0 | 0.100 | -0.070 | 20.901 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | B | 30 | ILE | 0 | -0.088 | 0.090 | 20.095 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | B | 31 | VAL | 0 | 0.094 | -0.104 | 22.527 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | B | 31 | VAL | 0 | -0.055 | 0.105 | 22.269 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | B | 32 | LEU | 0 | 0.033 | -0.089 | 23.937 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | B | 32 | LEU | 0 | -0.114 | 0.075 | 22.918 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | B | 33 | GLN | 0 | 0.078 | -0.088 | 25.388 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | B | 33 | GLN | 0 | -0.139 | 0.053 | 23.670 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | B | 34 | GLN | 0 | -0.012 | -0.108 | 26.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | B | 34 | GLN | 0 | -0.110 | 0.070 | 26.544 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | B | 35 | SER | 0 | 0.054 | -0.040 | 28.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | B | 35 | SER | 0 | -0.057 | 0.023 | 28.010 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | B | 36 | TYR | 0 | 0.059 | -0.096 | 30.057 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | B | 36 | TYR | 0 | -0.143 | 0.065 | 33.976 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | B | 37 | PRO | 0 | -0.006 | -0.131 | 31.579 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | B | 38 | VAL | 0 | 0.053 | -0.007 | 33.580 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | B | 38 | VAL | 0 | -0.071 | 0.115 | 35.530 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | B | 39 | ILE | 0 | 0.132 | -0.083 | 35.661 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | B | 39 | ILE | 0 | -0.106 | 0.104 | 37.150 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | B | 40 | GLN | 0 | 0.017 | -0.122 | 38.213 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | B | 40 | GLN | 0 | -0.067 | 0.099 | 39.211 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | B | 41 | GLN | 0 | 0.124 | -0.102 | 40.673 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | B | 41 | GLN | 0 | -0.078 | 0.125 | 44.883 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | B | 42 | VAL | 0 | 0.009 | -0.114 | 41.246 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | B | 42 | VAL | 0 | -0.113 | 0.096 | 39.227 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | B | 43 | GLU | 0 | 0.105 | -0.124 | 42.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | B | 43 | GLU | -1 | -0.849 | -0.779 | 44.132 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | B | 44 | THR | 0 | -0.024 | -0.090 | 45.396 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | B | 44 | THR | 0 | -0.018 | 0.074 | 48.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | B | 45 | GLN | 0 | -0.037 | -0.109 | 48.249 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | B | 45 | GLN | 0 | -0.029 | 0.091 | 47.770 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | B | 46 | THR | 0 | 0.083 | -0.073 | 50.624 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | B | 46 | THR | 0 | -0.021 | 0.108 | 54.315 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | B | 47 | PHE | 0 | 0.003 | -0.097 | 53.175 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | B | 47 | PHE | 0 | -0.113 | 0.066 | 49.467 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | B | 48 | ASP | 0 | 0.170 | -0.068 | 54.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | B | 48 | ASP | -1 | -0.830 | -0.742 | 57.777 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | B | 49 | PRO | 0 | -0.046 | -0.135 | 52.480 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | B | 50 | ALA | 0 | 0.067 | -0.019 | 54.010 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | B | 50 | ALA | 0 | -0.054 | 0.121 | 58.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | B | 51 | ASN | 0 | 0.046 | -0.065 | 56.448 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | B | 51 | ASN | 0 | -0.233 | -0.014 | 56.509 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | B | 52 | ARG | 0 | 0.036 | -0.105 | 52.166 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | B | 52 | ARG | 1 | 0.823 | 1.036 | 50.966 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | B | 53 | SER | 0 | 0.117 | -0.057 | 49.690 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | B | 53 | SER | 0 | 0.007 | 0.114 | 48.663 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | B | 54 | VAL | 0 | 0.051 | -0.103 | 45.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | B | 54 | VAL | 0 | -0.114 | 0.082 | 44.204 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | B | 55 | PHE | 0 | 0.043 | -0.118 | 44.780 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | B | 55 | PHE | 0 | -0.078 | 0.102 | 45.012 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | B | 56 | ASP | 0 | 0.120 | -0.065 | 41.620 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | B | 56 | ASP | -1 | -0.935 | -0.833 | 40.625 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | B | 57 | VAL | 0 | 0.099 | -0.109 | 41.020 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | B | 57 | VAL | 0 | -0.109 | 0.113 | 40.403 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | B | 58 | THR | 0 | 0.043 | -0.109 | 39.195 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | B | 58 | THR | 0 | -0.078 | 0.075 | 39.112 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | B | 59 | PRO | 0 | -0.034 | -0.089 | 35.675 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | B | 60 | ALA | 0 | 0.099 | 0.006 | 37.871 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | B | 60 | ALA | 0 | -0.025 | 0.120 | 38.300 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | B | 61 | ASN | 0 | 0.076 | -0.076 | 34.101 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | B | 61 | ASN | 0 | -0.138 | 0.051 | 33.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | B | 62 | VAL | 0 | -0.011 | -0.122 | 34.298 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | B | 62 | VAL | 0 | -0.086 | 0.126 | 35.009 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | B | 63 | GLY | 0 | 0.173 | -0.061 | 30.523 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | B | 64 | ILE | 0 | 0.069 | -0.002 | 27.142 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | B | 64 | ILE | 0 | -0.077 | 0.093 | 24.363 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | B | 65 | VAL | 0 | 0.113 | -0.120 | 28.316 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | B | 65 | VAL | 0 | -0.114 | 0.126 | 30.184 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | B | 66 | LYS | 0 | 0.102 | -0.102 | 28.345 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | B | 66 | LYS | 1 | 0.773 | 1.013 | 27.736 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | B | 67 | GLY | 0 | -0.001 | -0.105 | 29.405 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | B | 68 | PHE | 0 | 0.073 | 0.008 | 32.192 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | B | 68 | PHE | 0 | -0.061 | 0.089 | 32.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | B | 69 | LEU | 0 | 0.144 | -0.054 | 35.874 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | B | 69 | LEU | 0 | -0.105 | 0.095 | 38.011 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | B | 70 | VAL | 0 | -0.005 | -0.138 | 38.650 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | B | 70 | VAL | 0 | -0.080 | 0.097 | 38.926 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | B | 71 | LYS | 0 | 0.196 | -0.060 | 41.365 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | B | 71 | LYS | 1 | 0.853 | 1.066 | 45.032 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | B | 72 | VAL | 0 | 0.024 | -0.103 | 44.882 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | B | 72 | VAL | 0 | -0.091 | 0.082 | 44.564 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | B | 73 | THR | 0 | 0.054 | -0.057 | 47.278 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | B | 73 | THR | 0 | -0.047 | 0.050 | 50.223 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | B | 74 | ALA | 0 | 0.077 | -0.074 | 50.981 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | B | 74 | ALA | 0 | -0.069 | 0.078 | 52.142 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | B | 75 | ALA | 0 | 0.158 | -0.054 | 53.717 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | B | 75 | ALA | 0 | -0.072 | 0.120 | 58.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | B | 76 | ILE | 0 | 0.032 | -0.118 | 57.389 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | B | 76 | ILE | 0 | -0.115 | 0.079 | 53.936 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | B | 77 | THR | 0 | 0.074 | -0.067 | 58.372 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | B | 77 | THR | 0 | -0.022 | 0.075 | 62.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | B | 78 | ASN | 0 | 0.220 | -0.055 | 61.934 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | B | 78 | ASN | 0 | -0.207 | 0.032 | 62.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | B | 79 | ASN | 0 | 0.015 | -0.124 | 63.432 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | B | 79 | ASN | 0 | -0.137 | 0.045 | 64.309 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | B | 80 | HIS | 0 | 0.153 | -0.042 | 65.796 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | B | 80 | HIS | 0 | -0.078 | 0.110 | 65.738 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | B | 81 | ALA | 0 | 0.123 | -0.081 | 67.534 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | B | 81 | ALA | 0 | -0.154 | 0.070 | 72.120 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | B | 82 | THR | 0 | -0.057 | -0.163 | 70.055 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | B | 82 | THR | 0 | -0.102 | 0.022 | 70.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | B | 83 | GLU | 0 | 0.091 | -0.066 | 66.801 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | B | 83 | GLU | -1 | -0.968 | -0.821 | 65.972 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | B | 84 | ALA | 0 | 0.126 | -0.064 | 64.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | B | 84 | ALA | 0 | -0.082 | 0.088 | 63.706 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | B | 85 | VAL | 0 | -0.029 | -0.158 | 59.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | B | 85 | VAL | 0 | -0.041 | 0.139 | 58.911 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | B | 86 | ALA | 0 | 0.149 | -0.102 | 57.943 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | B | 86 | ALA | 0 | -0.105 | 0.090 | 57.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | B | 87 | LEU | 0 | 0.085 | -0.105 | 53.570 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | B | 87 | LEU | 0 | -0.114 | 0.099 | 51.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | B | 88 | THR | 0 | -0.021 | -0.057 | 51.206 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | B | 88 | THR | 0 | -0.048 | 0.027 | 50.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | B | 89 | ASP | 0 | 0.115 | -0.081 | 48.345 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | B | 89 | ASP | -1 | -0.959 | -0.839 | 47.414 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | B | 90 | PHE | 0 | 0.002 | -0.102 | 45.866 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | B | 90 | PHE | 0 | -0.054 | 0.100 | 43.124 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | B | 91 | GLY | 0 | 0.058 | -0.060 | 46.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | B | 92 | PRO | 0 | 0.110 | 0.020 | 47.660 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | B | 93 | ALA | 0 | 0.112 | 0.023 | 43.937 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | B | 93 | ALA | 0 | -0.068 | 0.093 | 42.874 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | B | 94 | ASN | 0 | -0.001 | -0.086 | 43.684 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | B | 94 | ASN | 0 | -0.132 | 0.054 | 44.875 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | B | 95 | LEU | 0 | 0.149 | -0.091 | 46.002 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | B | 95 | LEU | 0 | -0.044 | 0.123 | 46.737 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | B | 96 | VAL | 0 | 0.061 | -0.113 | 43.086 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | B | 96 | VAL | 0 | -0.109 | 0.102 | 41.430 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | B | 97 | GLN | 0 | 0.110 | -0.106 | 43.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | B | 97 | GLN | 0 | -0.181 | 0.079 | 44.571 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | B | 98 | ARG | 0 | 0.043 | -0.116 | 39.857 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | B | 98 | ARG | 1 | 0.760 | 0.975 | 37.555 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | B | 99 | VAL | 0 | 0.104 | -0.100 | 37.485 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | B | 99 | VAL | 0 | -0.058 | 0.114 | 35.834 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | B | 100 | ILE | 0 | 0.067 | -0.104 | 34.730 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | B | 100 | ILE | 0 | -0.105 | 0.094 | 34.231 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | B | 101 | TYR | 0 | 0.144 | -0.059 | 32.617 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | B | 101 | TYR | 0 | -0.105 | 0.072 | 29.318 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | B | 102 | TYR | 0 | 0.028 | -0.102 | 31.303 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | B | 102 | TYR | 0 | -0.095 | 0.078 | 32.499 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | B | 103 | ASP | 0 | 0.120 | -0.051 | 28.476 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | B | 103 | ASP | -1 | -0.783 | -0.768 | 26.376 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | B | 104 | PRO | 0 | -0.022 | -0.121 | 28.645 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | B | 105 | ASP | 0 | 0.042 | -0.006 | 27.620 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | B | 105 | ASP | -1 | -0.955 | -0.854 | 25.604 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | B | 106 | ASN | 0 | 0.053 | -0.037 | 29.154 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | B | 106 | ASN | 0 | -0.140 | 0.032 | 31.916 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | B | 107 | GLN | 0 | 0.114 | -0.112 | 26.900 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | B | 107 | GLN | 0 | -0.130 | 0.078 | 24.907 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | B | 108 | ARG | 0 | 0.120 | -0.094 | 28.381 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | B | 108 | ARG | 1 | 0.737 | 1.000 | 29.568 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | B | 109 | HIS | 0 | 0.046 | -0.052 | 27.303 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | B | 109 | HIS | 0 | -0.168 | -0.006 | 25.048 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | B | 110 | THR | 0 | 0.072 | -0.063 | 28.269 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | B | 110 | THR | 0 | -0.057 | 0.064 | 29.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | B | 111 | GLU | 0 | 0.120 | -0.097 | 30.695 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | B | 111 | GLU | -1 | -0.904 | -0.804 | 32.644 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | B | 112 | THR | 0 | -0.020 | -0.037 | 33.448 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | B | 112 | THR | 0 | -0.083 | 0.012 | 33.458 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | B | 113 | SER | 0 | 0.102 | -0.067 | 35.387 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | B | 113 | SER | 0 | -0.014 | 0.075 | 39.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | B | 114 | GLY | 0 | 0.047 | -0.059 | 37.983 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | B | 115 | TRP | 0 | 0.086 | 0.010 | 39.687 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | B | 115 | TRP | 0 | -0.041 | 0.112 | 38.218 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | B | 116 | HIS | 0 | 0.044 | -0.095 | 36.367 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | B | 116 | HIS | 0 | -0.038 | 0.107 | 31.713 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | B | 117 | LEU | 0 | 0.120 | -0.102 | 34.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | B | 117 | LEU | 0 | -0.092 | 0.108 | 34.157 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | B | 118 | HIS | 0 | 0.062 | -0.091 | 35.762 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | B | 118 | HIS | 0 | -0.021 | 0.114 | 39.990 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | B | 119 | PHE | 0 | 0.053 | -0.107 | 37.394 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | B | 119 | PHE | 0 | -0.062 | 0.094 | 36.896 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | B | 120 | VAL | 0 | 0.106 | -0.101 | 32.807 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | B | 120 | VAL | 0 | -0.070 | 0.115 | 30.767 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | B | 121 | ASN | 0 | 0.022 | -0.114 | 33.352 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | B | 121 | ASN | 0 | -0.062 | 0.086 | 34.143 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | B | 122 | THR | 0 | 0.074 | -0.049 | 35.285 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | B | 122 | THR | 0 | -0.085 | 0.060 | 37.793 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | B | 123 | ALA | 0 | 0.128 | -0.080 | 33.423 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | B | 123 | ALA | 0 | -0.101 | 0.076 | 32.692 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | B | 124 | LYS | 0 | -0.029 | -0.139 | 31.133 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | B | 124 | LYS | 1 | 0.692 | 0.977 | 27.412 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | B | 125 | GLN | 0 | 0.086 | -0.089 | 31.995 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | B | 125 | GLN | 0 | -0.078 | 0.116 | 36.074 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | B | 126 | GLY | 0 | -0.004 | -0.090 | 34.844 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | B | 127 | ALA | 0 | 0.062 | -0.032 | 35.469 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | B | 127 | ALA | 0 | -0.064 | 0.104 | 39.390 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | B | 128 | PRO | 0 | -0.053 | -0.110 | 38.880 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | B | 129 | PHE | 0 | 0.108 | 0.043 | 39.396 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | B | 129 | PHE | 0 | -0.064 | 0.094 | 37.054 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | B | 130 | LEU | 0 | -0.047 | -0.123 | 40.183 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | B | 130 | LEU | 0 | -0.064 | 0.090 | 39.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | B | 131 | SER | 0 | 0.105 | -0.058 | 42.267 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | B | 131 | SER | 0 | -0.074 | 0.032 | 42.932 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | B | 132 | SER | 0 | 0.063 | -0.074 | 44.694 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | B | 132 | SER | 0 | -0.057 | 0.075 | 48.407 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | B | 133 | MET | 0 | 0.093 | -0.099 | 46.247 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | B | 133 | MET | 0 | -0.117 | 0.088 | 42.982 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | B | 134 | VAL | 0 | 0.088 | -0.107 | 47.364 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | B | 134 | VAL | 0 | -0.063 | 0.114 | 50.852 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | B | 135 | THR | 0 | -0.086 | -0.109 | 50.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | B | 135 | THR | 0 | -0.027 | 0.049 | 49.007 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | B | 136 | ASP | 0 | 0.068 | -0.093 | 51.830 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | B | 136 | ASP | -1 | -0.929 | -0.837 | 53.385 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | B | 137 | SER | 0 | 0.061 | -0.079 | 53.696 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | B | 137 | SER | 0 | -0.058 | 0.059 | 52.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | B | 138 | PRO | 0 | -0.023 | -0.084 | 54.925 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | B | 139 | ILE | 0 | 0.068 | -0.003 | 55.783 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | B | 139 | ILE | 0 | -0.069 | 0.096 | 54.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | B | 140 | LYS | 0 | -0.031 | -0.052 | 55.714 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | B | 140 | LYS | 1 | 0.858 | 1.044 | 57.851 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | B | 141 | TYR | 0 | 0.157 | -0.093 | 51.966 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | B | 141 | TYR | 0 | -0.072 | 0.066 | 50.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | B | 142 | GLY | 0 | 0.038 | -0.086 | 51.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | B | 143 | ASP | 0 | 0.083 | -0.034 | 51.396 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | B | 143 | ASP | -1 | -0.918 | -0.784 | 51.527 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | B | 144 | VAL | 0 | 0.022 | -0.114 | 52.212 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | B | 144 | VAL | 0 | -0.145 | 0.059 | 52.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | B | 145 | MET | 0 | 0.140 | -0.071 | 50.724 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | B | 145 | MET | 0 | -0.134 | 0.066 | 49.495 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | B | 146 | ASN | 0 | 0.048 | -0.069 | 51.389 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | B | 146 | ASN | 0 | -0.083 | 0.082 | 52.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | B | 147 | VAL | 0 | 0.106 | -0.090 | 46.860 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | B | 147 | VAL | 0 | -0.102 | 0.062 | 44.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | B | 148 | ILE | 0 | 0.120 | -0.096 | 46.309 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | B | 148 | ILE | 0 | -0.159 | 0.074 | 42.965 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | B | 149 | ASP | 0 | -0.047 | -0.168 | 47.612 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | B | 149 | ASP | -1 | -0.880 | -0.802 | 51.601 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | B | 150 | ALA | 0 | 0.130 | -0.077 | 51.093 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | B | 150 | ALA | 0 | -0.086 | 0.084 | 51.707 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | B | 151 | PRO | 0 | 0.001 | -0.050 | 53.379 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | B | 152 | ALA | 0 | 0.204 | 0.041 | 55.772 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | B | 152 | ALA | 0 | -0.111 | 0.083 | 56.725 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | B | 153 | THR | 0 | -0.099 | -0.119 | 56.816 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | B | 153 | THR | 0 | -0.042 | 0.048 | 59.710 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | B | 154 | ILE | 0 | 0.104 | -0.091 | 59.614 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | B | 154 | ILE | 0 | -0.054 | 0.156 | 57.610 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | B | 155 | ALA | 0 | 0.137 | -0.088 | 61.434 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | B | 155 | ALA | 0 | -0.087 | 0.088 | 65.732 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | B | 156 | ALA | 0 | 0.108 | -0.105 | 65.128 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | B | 156 | ALA | 0 | -0.091 | 0.124 | 68.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | B | 157 | GLY | 0 | -0.030 | -0.120 | 67.078 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | B | 158 | ALA | 0 | 0.072 | 0.026 | 65.277 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | B | 158 | ALA | 0 | -0.127 | 0.056 | 64.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | B | 159 | THR | 0 | 0.001 | -0.133 | 62.300 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | B | 159 | THR | 0 | -0.040 | 0.086 | 61.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | B | 160 | GLY | 0 | -0.052 | -0.117 | 59.021 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | B | 161 | GLU | 0 | 0.138 | 0.006 | 56.652 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | B | 161 | GLU | -1 | -1.014 | -0.856 | 56.339 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | B | 162 | LEU | 0 | 0.024 | -0.093 | 52.636 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | B | 162 | LEU | 0 | -0.128 | 0.066 | 51.214 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | B | 163 | THR | 0 | 0.065 | -0.110 | 49.983 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | B | 163 | THR | 0 | -0.031 | 0.082 | 48.318 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | B | 164 | MET | 0 | 0.085 | -0.086 | 46.314 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | B | 164 | MET | 0 | -0.127 | 0.115 | 42.472 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | B | 165 | TYR | 0 | 0.068 | -0.119 | 42.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | B | 165 | TYR | 0 | -0.095 | 0.077 | 41.838 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | B | 166 | TYR | 0 | 0.092 | -0.086 | 39.389 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | B | 166 | TYR | 0 | -0.096 | 0.058 | 38.755 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | B | 167 | TRP | 0 | 0.118 | -0.072 | 35.780 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | B | 167 | TRP | 0 | -0.109 | 0.094 | 31.269 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | B | 168 | VAL | 0 | 0.070 | -0.123 | 34.011 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | B | 168 | VAL | 0 | -0.081 | 0.111 | 32.898 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | B | 169 | PRO | 0 | -0.063 | -0.117 | 28.911 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | B | 170 | LEU | 0 | 0.113 | 0.038 | 27.792 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | B | 170 | LEU | 0 | -0.135 | 0.078 | 27.559 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | B | 171 | ALA | 0 | 0.142 | -0.096 | 24.867 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | B | 171 | ALA | 0 | -0.073 | 0.096 | 25.522 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | B | 172 | TYR | 0 | 0.094 | -0.065 | 23.804 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | B | 172 | TYR | 0 | -0.104 | 0.071 | 23.165 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | B | 173 | SER | 0 | -0.018 | -0.059 | 25.137 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | B | 173 | SER | 0 | -0.045 | 0.025 | 25.391 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | B | 174 | GLU | 0 | 0.097 | -0.094 | 26.527 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | B | 174 | GLU | -1 | -0.893 | -0.780 | 29.236 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | B | 175 | THR | 0 | 0.012 | -0.090 | 25.058 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | B | 175 | THR | 0 | -0.036 | 0.070 | 23.978 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | B | 176 | ASP | 0 | 0.090 | -0.070 | 21.531 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | B | 176 | ASP | -1 | -0.857 | -0.761 | 19.787 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | B | 177 | LEU | 0 | 0.025 | -0.121 | 21.676 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | B | 177 | LEU | 0 | -0.034 | 0.115 | 21.695 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | B | 178 | THR | 0 | 0.049 | -0.105 | 19.918 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | B | 178 | THR | 0 | -0.103 | 0.021 | 18.448 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | B | 179 | GLY | 0 | -0.010 | -0.097 | 20.625 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | B | 180 | ALA | 0 | 0.142 | 0.041 | 22.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | B | 180 | ALA | 0 | -0.113 | 0.069 | 23.950 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | B | 181 | VAL | 0 | 0.030 | -0.127 | 23.971 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | B | 181 | VAL | 0 | -0.091 | 0.121 | 26.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | B | 182 | LEU | 0 | 0.153 | -0.078 | 25.632 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | B | 182 | LEU | 0 | -0.130 | 0.092 | 24.553 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | B | 183 | ALA | 0 | 0.115 | -0.106 | 26.896 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | B | 183 | ALA | 0 | -0.107 | 0.115 | 30.869 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | B | 184 | ASN | 0 | 0.078 | -0.090 | 30.158 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | B | 184 | ASN | 0 | -0.106 | 0.071 | 29.971 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | B | 185 | VAL | 0 | 0.037 | -0.140 | 31.264 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | B | 185 | VAL | 0 | -0.032 | 0.144 | 29.243 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | B | 186 | PRO | 0 | 0.037 | -0.095 | 32.092 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | B | 187 | GLN | 0 | 0.019 | 0.007 | 35.440 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | B | 187 | GLN | 0 | -0.072 | 0.086 | 37.422 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | B | 188 | SER | 0 | -0.001 | -0.101 | 33.874 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | B | 188 | SER | 0 | -0.003 | 0.082 | 33.193 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | B | 189 | LYS | 0 | 0.085 | -0.066 | 33.542 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | B | 189 | LYS | 1 | 0.870 | 1.046 | 36.820 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | B | 190 | GLN | 0 | 0.098 | -0.043 | 33.555 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | B | 190 | GLN | 0 | -0.058 | 0.075 | 31.636 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | B | 191 | ARG | 0 | 0.117 | -0.081 | 34.252 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | B | 191 | ARG | 1 | 0.764 | 1.013 | 36.067 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | B | 192 | LEU | 0 | 0.121 | -0.085 | 35.350 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | B | 192 | LEU | 0 | -0.127 | 0.090 | 35.573 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | B | 193 | LYS | 0 | 0.095 | -0.091 | 37.356 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | B | 193 | LYS | 1 | 0.751 | 1.005 | 38.581 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | B | 194 | LEU | 0 | 0.017 | -0.123 | 39.127 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | B | 194 | LEU | 0 | -0.048 | 0.104 | 39.540 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | B | 195 | GLU | 0 | 0.099 | -0.079 | 41.797 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | B | 195 | GLU | -1 | -0.914 | -0.795 | 41.865 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | B | 196 | PHE | 0 | 0.051 | -0.114 | 44.079 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | B | 196 | PHE | 0 | -0.075 | 0.100 | 45.010 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | B | 197 | ALA | 0 | 0.137 | -0.104 | 46.747 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | B | 197 | ALA | 0 | -0.064 | 0.119 | 48.528 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | B | 198 | ASN | 0 | 0.110 | -0.031 | 49.171 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | B | 198 | ASN | 0 | -0.091 | 0.046 | 50.700 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | B | 199 | ASN | 0 | 0.060 | -0.114 | 52.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | B | 199 | ASN | 0 | 0.000 | 0.121 | 57.236 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | B | 200 | ASN | 0 | 0.101 | -0.046 | 54.354 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | B | 200 | ASN | 0 | -0.145 | 0.024 | 53.458 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | B | 201 | THR | 0 | 0.027 | -0.083 | 50.139 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | B | 201 | THR | 0 | -0.033 | 0.057 | 48.777 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | B | 202 | ALA | 0 | 0.104 | -0.087 | 51.460 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | B | 202 | ALA | 0 | -0.052 | 0.125 | 52.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | B | 203 | PHE | 0 | 0.063 | -0.098 | 52.559 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | B | 203 | PHE | 0 | -0.085 | 0.134 | 56.195 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | B | 204 | ALA | 0 | 0.154 | -0.080 | 54.700 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | B | 204 | ALA | 0 | -0.093 | 0.112 | 53.749 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | B | 205 | ALA | 0 | 0.170 | -0.090 | 55.830 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | B | 205 | ALA | 0 | -0.057 | 0.117 | 59.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | B | 206 | VAL | 0 | 0.066 | -0.121 | 57.914 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | B | 206 | VAL | 0 | -0.058 | 0.125 | 60.758 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | B | 207 | GLY | 0 | -0.053 | -0.117 | 58.185 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | B | 208 | ALA | 0 | 0.068 | 0.006 | 55.915 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | B | 208 | ALA | 0 | -0.077 | 0.102 | 55.494 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | B | 209 | ASN | 0 | 0.117 | -0.080 | 51.162 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | B | 209 | ASN | 0 | -0.119 | 0.051 | 48.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | B | 210 | PRO | 0 | 0.023 | -0.091 | 50.397 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | B | 211 | LEU | 0 | 0.070 | 0.007 | 46.851 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | B | 211 | LEU | 0 | -0.145 | 0.074 | 43.444 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | B | 212 | GLU | 0 | 0.024 | -0.122 | 46.328 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | B | 212 | GLU | -1 | -0.966 | -0.853 | 44.472 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | B | 213 | ALA | 0 | 0.198 | -0.050 | 47.337 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | B | 213 | ALA | 0 | -0.084 | 0.108 | 51.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | B | 214 | ILE | 0 | -0.007 | -0.117 | 49.625 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | B | 214 | ILE | 0 | -0.073 | 0.099 | 49.523 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | B | 215 | TYR | 0 | 0.058 | -0.112 | 51.421 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | B | 215 | TYR | 0 | -0.049 | 0.092 | 54.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | B | 216 | GLN | 0 | 0.155 | -0.082 | 54.963 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | B | 216 | GLN | 0 | -0.160 | 0.062 | 54.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | B | 217 | GLY | 0 | -0.012 | -0.107 | 56.772 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | B | 218 | ALA | 0 | 0.094 | -0.009 | 60.467 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | B | 218 | ALA | 0 | -0.084 | 0.114 | 64.791 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | B | 219 | GLY | 0 | 0.029 | -0.099 | 63.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | B | 220 | ALA | 0 | 0.130 | 0.002 | 59.781 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | B | 220 | ALA | 0 | -0.125 | 0.094 | 58.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | B | 221 | ALA | 0 | 0.043 | -0.105 | 60.535 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | B | 221 | ALA | 0 | -0.110 | 0.072 | 63.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | B | 222 | ASP | 0 | 0.060 | -0.081 | 62.487 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | B | 222 | ASP | -1 | -0.992 | -0.858 | 65.421 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | B | 223 | CYS | 0 | 0.102 | -0.102 | 60.121 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | B | 223 | CYS | 0 | -0.123 | 0.078 | 59.377 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | B | 224 | GLU | 0 | 0.024 | -0.121 | 58.952 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | B | 224 | GLU | -1 | -0.938 | -0.814 | 60.272 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | B | 225 | PHE | 0 | 0.013 | -0.115 | 56.272 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | B | 225 | PHE | 0 | -0.106 | 0.034 | 51.925 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | B | 226 | GLU | 0 | 0.072 | -0.080 | 57.602 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | B | 226 | GLU | -1 | -0.896 | -0.779 | 59.482 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | B | 227 | GLU | 0 | 0.010 | -0.129 | 56.453 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | B | 227 | GLU | -1 | -0.913 | -0.856 | 55.496 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | B | 228 | ILE | 0 | 0.055 | -0.086 | 51.943 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | B | 228 | ILE | 0 | -0.124 | 0.080 | 49.842 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | B | 229 | SER | 0 | 0.082 | -0.055 | 51.186 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | B | 229 | SER | 0 | -0.068 | 0.072 | 51.544 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | B | 230 | TYR | 0 | 0.020 | -0.112 | 46.645 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | B | 230 | TYR | 0 | -0.104 | 0.041 | 45.152 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | B | 231 | THR | 0 | 0.045 | -0.085 | 45.876 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | B | 231 | THR | 0 | -0.058 | 0.047 | 45.020 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | B | 232 | VAL | 0 | 0.032 | -0.097 | 41.633 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | B | 232 | VAL | 0 | -0.054 | 0.109 | 39.709 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | B | 233 | TYR | 0 | 0.080 | -0.104 | 40.519 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | B | 233 | TYR | 0 | -0.067 | 0.109 | 40.151 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | B | 234 | GLN | 0 | 0.184 | -0.088 | 36.703 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | B | 234 | GLN | 0 | -0.129 | 0.072 | 33.986 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | B | 235 | SER | 0 | 0.096 | -0.059 | 34.354 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | B | 235 | SER | 0 | -0.085 | 0.055 | 33.649 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | B | 236 | TYR | 0 | 0.014 | -0.101 | 31.412 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | B | 236 | TYR | 0 | -0.057 | 0.088 | 32.060 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | B | 237 | LEU | 0 | 0.062 | -0.099 | 29.333 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | B | 237 | LEU | 0 | -0.090 | 0.089 | 26.757 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | B | 238 | ASP | 0 | 0.154 | -0.099 | 30.823 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | B | 238 | ASP | -1 | -0.909 | -0.792 | 34.343 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | B | 239 | GLN | 0 | 0.039 | -0.113 | 31.974 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | B | 239 | GLN | 0 | -0.105 | 0.090 | 33.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | B | 240 | LEU | 0 | 0.105 | -0.093 | 28.141 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | B | 240 | LEU | 0 | -0.088 | 0.087 | 26.911 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | B | 241 | PRO | 0 | 0.027 | -0.082 | 24.790 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | B | 242 | VAL | 0 | 0.065 | -0.038 | 25.659 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | B | 242 | VAL | 0 | -0.074 | 0.129 | 27.267 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | B | 243 | GLY | 0 | 0.005 | -0.093 | 23.590 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | B | 244 | GLN | 0 | 0.053 | -0.014 | 23.866 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | B | 244 | GLN | 0 | -0.065 | 0.089 | 20.436 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | B | 245 | ASN | 0 | 0.016 | -0.087 | 22.076 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | B | 245 | ASN | 0 | -0.135 | 0.053 | 19.744 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | B | 246 | GLY | 0 | 0.094 | -0.067 | 22.674 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | B | 247 | TYR | 0 | 0.108 | -0.004 | 24.214 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | B | 247 | TYR | 0 | -0.074 | 0.100 | 24.989 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | B | 248 | ILE | 0 | 0.097 | -0.067 | 21.122 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | B | 248 | ILE | 0 | -0.133 | 0.116 | 20.575 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | B | 249 | LEU | 0 | 0.007 | -0.167 | 20.059 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | B | 249 | LEU | 0 | -0.045 | 0.127 | 20.664 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | B | 250 | PRO | 0 | -0.006 | -0.080 | 17.022 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | B | 251 | LEU | 0 | 0.082 | -0.013 | 16.301 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | B | 251 | LEU | 0 | -0.053 | 0.108 | 15.241 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | B | 252 | ILE | 0 | 0.120 | -0.032 | 13.956 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | B | 252 | ILE | 0 | -0.075 | 0.071 | 10.832 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | B | 253 | ASP | 0 | 0.073 | -0.108 | 15.185 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | B | 253 | ASP | -1 | -0.837 | -0.742 | 17.460 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | B | 254 | LEU | 0 | 0.106 | -0.076 | 18.441 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | B | 254 | LEU | 0 | -0.072 | 0.108 | 20.148 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | B | 255 | SER | 0 | 0.007 | -0.078 | 17.636 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | B | 255 | SER | 0 | -0.090 | 0.034 | 16.367 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | B | 256 | THR | 0 | -0.016 | -0.105 | 18.228 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | B | 256 | THR | 0 | -0.084 | 0.021 | 16.719 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | B | 257 | LEU | 0 | 0.061 | -0.099 | 18.944 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | B | 257 | LEU | 0 | -0.101 | 0.106 | 21.635 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | B | 258 | TYR | 0 | 0.148 | -0.079 | 21.898 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | B | 258 | TYR | 0 | -0.154 | 0.047 | 23.048 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | B | 259 | ASN | 0 | 0.038 | -0.121 | 23.951 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | B | 259 | ASN | 0 | -0.036 | 0.093 | 25.258 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | B | 260 | LEU | 0 | 0.081 | -0.071 | 26.885 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | B | 260 | LEU | 0 | -0.069 | 0.100 | 28.615 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | B | 261 | GLU | 0 | 0.097 | -0.100 | 29.840 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | B | 261 | GLU | -1 | -0.863 | -0.753 | 28.389 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | B | 262 | ASN | 0 | 0.049 | -0.061 | 31.424 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | B | 262 | ASN | 0 | -0.065 | 0.077 | 35.114 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | B | 263 | SER | 0 | 0.023 | -0.095 | 34.214 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | B | 263 | SER | 0 | -0.014 | 0.071 | 33.752 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | B | 264 | ALA | 0 | 0.118 | -0.077 | 35.703 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | B | 264 | ALA | 0 | -0.066 | 0.105 | 40.030 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | B | 265 | GLN | 0 | -0.035 | -0.134 | 38.056 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | B | 265 | GLN | 0 | -0.054 | 0.107 | 34.786 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | B | 266 | ALA | 0 | 0.168 | -0.069 | 39.112 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | B | 266 | ALA | 0 | -0.042 | 0.118 | 43.216 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | B | 267 | GLY | 0 | -0.026 | -0.113 | 41.577 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | B | 268 | LEU | 0 | 0.086 | -0.012 | 43.278 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | B | 268 | LEU | 0 | -0.066 | 0.117 | 41.591 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | B | 269 | THR | 0 | 0.021 | -0.106 | 44.152 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | B | 269 | THR | 0 | -0.031 | 0.094 | 45.572 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | B | 270 | PRO | 0 | -0.012 | -0.102 | 45.699 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | B | 271 | ASN | 0 | 0.050 | 0.054 | 46.027 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | B | 271 | ASN | 0 | -0.107 | 0.050 | 47.404 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | B | 272 | VAL | 0 | 0.161 | -0.103 | 43.742 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | B | 272 | VAL | 0 | -0.088 | 0.108 | 42.313 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | B | 273 | ASP | 0 | 0.057 | -0.098 | 39.106 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | B | 273 | ASP | -1 | -0.843 | -0.743 | 38.101 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | B | 274 | PHE | 0 | 0.152 | -0.075 | 39.070 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | B | 274 | PHE | 0 | -0.104 | 0.114 | 38.198 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | B | 275 | VAL | 0 | 0.026 | -0.123 | 34.695 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | B | 275 | VAL | 0 | -0.133 | 0.068 | 32.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | B | 276 | VAL | 0 | 0.104 | -0.102 | 33.282 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | B | 276 | VAL | 0 | -0.065 | 0.130 | 32.183 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | B | 277 | GLN | 0 | 0.052 | -0.115 | 29.578 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | B | 277 | GLN | 0 | -0.011 | 0.118 | 28.732 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | B | 278 | TYR | 0 | 0.083 | -0.082 | 26.017 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | B | 278 | TYR | 0 | -0.119 | 0.082 | 25.156 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | B | 279 | ALA | 0 | 0.113 | -0.075 | 25.257 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | B | 279 | ALA | 0 | -0.035 | 0.115 | 25.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | B | 280 | ASN | 0 | 0.045 | -0.065 | 21.391 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | B | 280 | ASN | 0 | -0.052 | 0.040 | 20.165 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | B | 281 | LEU | 0 | -0.010 | -0.133 | 17.802 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | B | 281 | LEU | 0 | -0.030 | 0.117 | 16.986 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | B | 282 | TYR | 0 | 0.071 | -0.117 | 18.237 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | B | 282 | TYR | 0 | -0.060 | 0.106 | 21.300 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | B | 283 | ARG | 0 | 0.137 | -0.060 | 18.701 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | B | 283 | ARG | 1 | 0.815 | 1.058 | 15.253 | -0.294 | -0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | B | 284 | TYR | 0 | 0.107 | -0.100 | 19.875 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | B | 284 | TYR | 0 | -0.113 | 0.100 | 23.068 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | B | 285 | LEU | 0 | 0.134 | -0.097 | 23.465 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | B | 285 | LEU | 0 | -0.094 | 0.107 | 21.252 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | B | 286 | SER | 0 | -0.076 | -0.117 | 24.339 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | B | 286 | SER | 0 | -0.024 | 0.048 | 28.329 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | B | 287 | THR | 0 | 0.044 | -0.065 | 28.027 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | B | 287 | THR | 0 | -0.066 | 0.022 | 28.839 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | B | 288 | ILE | 0 | 0.098 | -0.085 | 30.616 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | B | 288 | ILE | 0 | -0.094 | 0.097 | 33.297 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | B | 289 | ALA | 0 | 0.123 | -0.076 | 34.312 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | B | 289 | ALA | 0 | -0.095 | 0.083 | 35.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | B | 290 | VAL | 0 | 0.061 | -0.126 | 36.848 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | B | 290 | VAL | 0 | -0.073 | 0.125 | 38.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | B | 291 | PHE | 0 | 0.089 | -0.083 | 40.419 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | B | 291 | PHE | 0 | -0.125 | 0.064 | 42.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | B | 292 | ASP | 0 | 0.172 | -0.059 | 42.971 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | B | 292 | ASP | -1 | -0.901 | -0.780 | 44.609 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | B | 293 | ASN | 0 | 0.179 | -0.066 | 45.535 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | B | 293 | ASN | 0 | -0.189 | 0.040 | 47.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | B | 294 | GLY | 0 | -0.027 | -0.113 | 48.075 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | B | 295 | GLY | 0 | -0.001 | -0.007 | 49.291 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | B | 296 | SER | 0 | 0.016 | 0.011 | 50.485 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | B | 296 | SER | 0 | -0.028 | 0.069 | 51.296 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | B | 297 | PHE | 0 | 0.070 | -0.098 | 47.904 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | B | 297 | PHE | 0 | -0.097 | 0.131 | 44.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | B | 298 | ASN | 0 | 0.100 | -0.106 | 48.000 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | B | 298 | ASN | 0 | -0.148 | 0.053 | 48.706 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | B | 299 | ALA | 0 | 0.138 | -0.089 | 46.948 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | B | 299 | ALA | 0 | -0.081 | 0.117 | 48.502 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | B | 300 | GLY | 0 | -0.008 | -0.127 | 45.225 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | B | 301 | THR | 0 | -0.023 | -0.003 | 46.139 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | B | 301 | THR | 0 | -0.035 | 0.066 | 50.548 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | B | 302 | ASP | 0 | 0.115 | -0.070 | 47.987 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | B | 302 | ASP | -1 | -0.823 | -0.756 | 46.928 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | B | 303 | ILE | 0 | 0.025 | -0.126 | 44.003 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | B | 303 | ILE | 0 | -0.060 | 0.118 | 41.796 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | B | 304 | ASN | 0 | 0.099 | -0.106 | 44.433 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | B | 304 | ASN | 0 | -0.116 | 0.076 | 44.198 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | B | 305 | TYR | 0 | 0.049 | -0.094 | 40.901 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | B | 305 | TYR | 0 | -0.106 | 0.009 | 37.876 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | B | 306 | LEU | 0 | 0.073 | -0.081 | 37.662 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | B | 306 | LEU | 0 | -0.062 | 0.112 | 36.770 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | B | 307 | SER | 0 | 0.043 | -0.087 | 34.262 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | B | 307 | SER | 0 | -0.034 | 0.007 | 33.906 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | B | 308 | GLN | 0 | 0.020 | -0.046 | 29.758 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | B | 308 | GLN | 0 | -0.030 | 0.092 | 27.716 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | B | 309 | ARG | 0 | 0.000 | -0.105 | 29.733 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | B | 309 | ARG | 1 | 0.732 | 0.969 | 31.029 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | B | 310 | THR | 0 | 0.075 | -0.070 | 26.459 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | B | 310 | THR | 0 | -0.050 | 0.045 | 24.488 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | B | 311 | ALA | 0 | 0.231 | -0.006 | 26.811 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | B | 311 | ALA | 0 | -0.094 | 0.090 | 26.653 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | B | 312 | ASN | 0 | -0.004 | -0.094 | 27.487 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | B | 312 | ASN | 0 | -0.108 | 0.037 | 25.662 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | B | 313 | PHE | 0 | 0.008 | -0.103 | 29.100 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | B | 313 | PHE | 0 | -0.083 | 0.084 | 32.680 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | B | 314 | SER | 0 | 0.105 | -0.014 | 29.353 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | B | 314 | SER | 0 | -0.089 | 0.022 | 27.731 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | B | 315 | ASP | 0 | 0.075 | -0.098 | 30.338 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | B | 315 | ASP | -1 | -0.788 | -0.743 | 33.585 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | B | 316 | THR | 0 | 0.029 | -0.056 | 28.657 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | B | 316 | THR | 0 | -0.043 | 0.053 | 26.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | B | 317 | ARG | 0 | -0.011 | -0.084 | 30.113 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | B | 317 | ARG | 1 | 0.821 | 1.022 | 30.091 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | B | 318 | LYS | 0 | 0.271 | -0.032 | 32.800 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | B | 318 | LYS | 1 | 0.758 | 1.030 | 35.659 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | B | 319 | LEU | 0 | -0.001 | -0.122 | 36.033 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | B | 319 | LEU | 0 | -0.085 | 0.093 | 35.375 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | B | 320 | ASP | 0 | 0.056 | -0.070 | 38.540 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | B | 320 | ASP | -1 | -0.824 | -0.782 | 42.928 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | B | 321 | PRO | 0 | 0.054 | -0.088 | 41.182 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | B | 322 | LYS | 0 | 0.127 | 0.022 | 41.965 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | B | 322 | LYS | 1 | 0.883 | 1.073 | 45.147 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | B | 323 | THR | 0 | 0.036 | -0.085 | 40.836 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | B | 323 | THR | 0 | -0.079 | 0.039 | 38.834 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | B | 324 | TRP | 0 | 0.102 | -0.080 | 37.594 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | B | 324 | TRP | 0 | -0.094 | 0.093 | 33.001 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | B | 325 | ALA | 0 | 0.060 | -0.126 | 37.907 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | B | 325 | ALA | 0 | -0.048 | 0.125 | 41.961 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | B | 326 | ALA | 0 | 0.085 | -0.095 | 40.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | B | 326 | ALA | 0 | -0.085 | 0.095 | 40.087 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | B | 327 | GLN | 0 | 0.057 | -0.102 | 35.686 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | B | 327 | GLN | 0 | -0.119 | 0.077 | 33.764 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | B | 328 | THR | 0 | 0.068 | -0.101 | 35.567 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | B | 328 | THR | 0 | -0.050 | 0.082 | 36.884 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | B | 329 | ARG | 0 | 0.123 | -0.052 | 36.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | B | 329 | ARG | 1 | 0.691 | 0.944 | 40.561 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | B | 330 | ARG | 0 | 0.013 | -0.098 | 36.082 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | B | 330 | ARG | 1 | 0.845 | 1.034 | 35.110 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | B | 331 | ARG | 0 | -0.002 | -0.069 | 34.111 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | B | 331 | ARG | 1 | 0.756 | 0.982 | 27.591 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | B | 332 | ILE | 0 | 0.075 | -0.099 | 34.891 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | B | 332 | ILE | 0 | -0.102 | 0.095 | 35.838 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | B | 333 | ALA | 0 | 0.168 | -0.079 | 37.674 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | B | 333 | ALA | 0 | -0.079 | 0.116 | 39.939 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | B | 334 | THR | 0 | 0.009 | -0.096 | 40.575 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | B | 334 | THR | 0 | -0.040 | 0.051 | 41.851 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | B | 335 | ASP | 0 | 0.046 | -0.095 | 41.110 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | B | 335 | ASP | -1 | -0.855 | -0.769 | 43.484 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | B | 336 | PHE | 0 | 0.042 | -0.071 | 40.604 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | B | 336 | PHE | 0 | -0.085 | 0.086 | 36.297 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | B | 337 | PRO | 0 | 0.036 | -0.098 | 41.853 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | B | 338 | LYS | 0 | 0.131 | -0.014 | 43.924 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | B | 338 | LYS | 1 | 0.755 | 1.010 | 47.932 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | B | 339 | GLY | 0 | 0.001 | -0.074 | 44.342 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | B | 340 | VAL | 0 | 0.060 | -0.010 | 40.667 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | B | 340 | VAL | 0 | -0.068 | 0.119 | 39.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | B | 341 | TYR | 0 | 0.070 | -0.104 | 38.274 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | B | 341 | TYR | 0 | -0.111 | 0.097 | 37.890 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | B | 342 | TYR | 0 | 0.146 | -0.070 | 34.634 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | B | 342 | TYR | 0 | -0.094 | 0.073 | 30.652 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | B | 343 | CYS | 0 | 0.068 | -0.149 | 31.548 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | B | 343 | CYS | 0 | -0.163 | 0.113 | 29.578 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | B | 344 | ASP | 0 | 0.100 | -0.083 | 29.059 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | B | 344 | ASP | -1 | -0.826 | -0.758 | 27.764 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | B | 345 | ASN | 0 | -0.016 | -0.078 | 25.340 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | B | 345 | ASN | 0 | -0.070 | 0.069 | 24.421 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | B | 346 | ARG | 0 | 0.204 | -0.075 | 23.353 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | B | 346 | ARG | 1 | 0.712 | 0.963 | 24.442 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | B | 347 | ASP | 0 | 0.079 | -0.078 | 21.530 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | B | 347 | ASP | -1 | -1.012 | -0.877 | 22.151 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | B | 348 | LYS | 0 | -0.024 | -0.111 | 19.710 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | B | 348 | LYS | 1 | 0.847 | 1.043 | 19.187 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | B | 349 | PRO | 0 | 0.066 | -0.085 | 18.662 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | B | 350 | ILE | 0 | 0.087 | -0.004 | 19.901 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | B | 350 | ILE | 0 | -0.112 | 0.104 | 23.194 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | B | 351 | TYR | 0 | 0.119 | -0.072 | 17.969 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | B | 351 | TYR | 0 | -0.136 | 0.078 | 13.215 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | B | 352 | THR | 0 | 0.081 | -0.055 | 18.739 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | B | 352 | THR | 0 | -0.036 | 0.078 | 21.515 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | B | 353 | LEU | 0 | 0.009 | -0.126 | 17.825 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | B | 353 | LEU | 0 | -0.028 | 0.121 | 17.241 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | B | 354 | GLN | 0 | 0.096 | -0.104 | 15.425 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | B | 354 | GLN | 0 | -0.079 | 0.099 | 12.025 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | B | 355 | TYR | 0 | -0.016 | -0.151 | 16.293 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | B | 355 | TYR | 0 | -0.029 | 0.124 | 19.284 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | B | 356 | GLY | 0 | -0.058 | -0.110 | 19.718 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | B | 357 | ASN | 0 | 0.151 | 0.035 | 21.833 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | B | 357 | ASN | 0 | -0.092 | 0.061 | 25.302 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | B | 358 | VAL | 0 | 0.025 | -0.120 | 24.669 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | B | 358 | VAL | 0 | -0.066 | 0.096 | 23.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | B | 359 | GLY | 0 | 0.021 | -0.076 | 26.360 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | B | 360 | PHE | 0 | 0.137 | 0.001 | 29.741 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | B | 360 | PHE | 0 | -0.099 | 0.109 | 31.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | B | 361 | VAL | 0 | 0.046 | -0.121 | 32.046 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | B | 361 | VAL | 0 | -0.116 | 0.077 | 33.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | B | 362 | VAL | 0 | 0.110 | -0.093 | 35.326 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | B | 362 | VAL | 0 | -0.058 | 0.124 | 37.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | B | 363 | ASN | 0 | 0.128 | -0.064 | 38.871 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 660 | B | 363 | ASN | 0 | -0.163 | 0.055 | 40.811 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 661 | B | 364 | PRO | 0 | 0.025 | -0.088 | 41.775 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 662 | B | 365 | LYS | 0 | 0.130 | 0.029 | 44.858 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 663 | B | 365 | LYS | 1 | 0.727 | 1.006 | 47.583 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 664 | B | 366 | THR | 0 | -0.030 | -0.100 | 48.266 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 665 | B | 366 | THR | 0 | -0.006 | 0.063 | 50.574 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 666 | B | 367 | VAL | 0 | 0.080 | -0.084 | 48.636 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 667 | B | 367 | VAL | 0 | -0.110 | 0.110 | 46.920 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 668 | B | 368 | ASN | 0 | 0.145 | -0.071 | 49.542 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 669 | B | 368 | ASN | 0 | -0.141 | 0.040 | 51.258 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 670 | B | 369 | GLN | 0 | 0.092 | -0.098 | 50.474 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 671 | B | 369 | GLN | 0 | -0.063 | 0.098 | 53.603 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 672 | B | 370 | ASN | 0 | 0.033 | -0.040 | 49.084 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 673 | B | 370 | ASN | 0 | -0.100 | 0.052 | 49.677 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 674 | B | 371 | ALA | 0 | 0.162 | -0.089 | 47.141 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 675 | B | 371 | ALA | 0 | -0.072 | 0.102 | 46.571 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 676 | B | 372 | ARG | 0 | -0.044 | -0.129 | 43.169 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 677 | B | 372 | ARG | 1 | 0.810 | 1.003 | 42.638 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 678 | B | 373 | LEU | 0 | 0.016 | -0.128 | 39.282 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 679 | B | 373 | LEU | 0 | -0.035 | 0.105 | 38.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 680 | B | 374 | LEU | 0 | 0.095 | -0.078 | 38.793 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 681 | B | 374 | LEU | 0 | -0.096 | 0.101 | 39.544 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 682 | B | 375 | MET | 0 | 0.115 | -0.100 | 34.310 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 683 | B | 375 | MET | 0 | -0.137 | 0.096 | 32.972 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 684 | B | 376 | GLY | 0 | 0.025 | -0.098 | 33.489 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 685 | B | 377 | TYR | 0 | 0.006 | -0.026 | 28.993 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 686 | B | 377 | TYR | 0 | -0.064 | 0.086 | 27.927 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 687 | B | 378 | GLU | 0 | 0.249 | -0.048 | 27.506 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 688 | B | 378 | GLU | -1 | -0.835 | -0.677 | 26.240 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 689 | B | 379 | TYR | 0 | -0.044 | -0.123 | 23.491 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 690 | B | 379 | TYR | 0 | -0.147 | 0.021 | 22.516 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 691 | B | 380 | PHE | 0 | 0.192 | -0.056 | 19.632 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 692 | B | 380 | PHE | 0 | -0.111 | 0.065 | 18.831 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 693 | B | 381 | THR | 0 | 0.008 | -0.082 | 18.465 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 694 | B | 381 | THR | 0 | 0.002 | 0.088 | 19.829 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 695 | B | 382 | SER | 0 | 0.054 | -0.035 | 16.397 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 696 | B | 382 | SER | 0 | -0.059 | 0.047 | 14.492 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 697 | B | 383 | ARG | 0 | 0.109 | -0.059 | 17.681 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 698 | B | 383 | ARG | 1 | 0.761 | 0.986 | 19.661 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 699 | B | 384 | THR | 0 | -0.126 | -0.152 | 16.430 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 700 | B | 384 | THR | 0 | 0.052 | 0.033 | 17.007 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |