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: Q512Y
Calculation Name: 6WTS-A-Other547
Preferred Name:
Target Type:
Ligand Name: 2-acetamido-2-deoxy-beta-d-glucopyranose
Ligand 3-letter code: NAG
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 6WTS
Chain ID: A
UniProt ID: Q9H2E6
Base Structure: ElectronMicroscopy
Registration Date: 2025-10-06
Reference: Sci Data 11, 1164 (2024).
DOI: https://doi.org/10.1038/s41597-024-03999-2
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptAll |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Homology Modeling |
| Water | No |
| Procedure | Manual calculation |
| Remarks |
ac.sh, 23 2024 Oct; Missing atoms/residues were imported from a 100% homology model, which was constructed by MOE. |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 542 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -11757522.621984 |
|---|---|
| FMO2-HF: Nuclear repulsion | 11535936.088917 |
| FMO2-HF: Total energy | -221586.533067 |
| FMO2-MP2: Total energy | -222218.638993 |
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:19:GLY)
Summations of interaction energy for
fragment #1(A:19:GLY)
| 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. |
| -28.147 | -27.373 | 0.001 | -0.267 | -0.508 | 0 |
Interaction energy analysis for fragmet #1(A:19:GLY)
| 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 | 21 | PRO | 0 | 0.008 | -0.003 | 3.818 | -2.335 | -1.561 | 0.001 | -0.267 | -0.508 | 0.000 |
| 4 | A | 22 | GLU | -1 | -0.911 | -0.945 | 6.195 | -33.407 | -33.407 | 0.000 | 0.000 | 0.000 | 0.000 |
| 5 | A | 23 | ASP | -1 | -0.757 | -0.862 | 8.080 | -22.102 | -22.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 24 | SER | 0 | -0.009 | -0.003 | 11.735 | 0.591 | 0.591 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 25 | GLU | -1 | -0.906 | -0.958 | 14.062 | -15.646 | -15.646 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 26 | PRO | 0 | -0.096 | -0.036 | 17.046 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 27 | ILE | 0 | 0.047 | 0.034 | 20.540 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 28 | SER | 0 | -0.054 | -0.036 | 23.117 | 0.862 | 0.862 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 29 | ILE | 0 | 0.032 | 0.022 | 22.090 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 30 | SER | 0 | -0.032 | -0.023 | 26.053 | 0.579 | 0.579 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 31 | HIS | 0 | 0.048 | 0.017 | 26.538 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 32 | GLY | 0 | 0.082 | 0.031 | 30.848 | 0.204 | 0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 33 | ASN | 0 | -0.042 | -0.031 | 33.835 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 34 | TYR | 0 | -0.057 | -0.026 | 33.743 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 35 | THR | 0 | -0.008 | -0.040 | 32.317 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 36 | LYS | 1 | 0.950 | 0.985 | 35.607 | 7.814 | 7.814 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 37 | GLN | 0 | -0.024 | -0.008 | 38.657 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 38 | TYR | 0 | -0.017 | -0.012 | 33.904 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 39 | PRO | 0 | 0.036 | 0.031 | 39.682 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 40 | VAL | 0 | -0.013 | -0.011 | 40.463 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 41 | PHE | 0 | -0.026 | -0.011 | 42.707 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 42 | VAL | 0 | 0.069 | 0.034 | 43.865 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 43 | GLY | 0 | -0.043 | -0.029 | 45.344 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 44 | HIS | 0 | -0.032 | 0.011 | 48.496 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 45 | LYS | 1 | 0.873 | 0.922 | 50.821 | 5.727 | 5.727 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 46 | PRO | 0 | 0.067 | 0.041 | 53.816 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 47 | GLY | 0 | -0.004 | -0.005 | 55.430 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 48 | ARG | 1 | 0.854 | 0.926 | 57.860 | 5.439 | 5.439 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 49 | ASN | 0 | 0.001 | 0.005 | 54.385 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 50 | THR | 0 | -0.071 | -0.033 | 54.474 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 51 | THR | 0 | 0.049 | 0.028 | 49.471 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 52 | GLN | 0 | -0.064 | -0.056 | 50.678 | 0.274 | 0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 53 | ARG | 0 | 0.049 | 0.025 | 44.614 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 54 | HIS | 0 | -0.017 | -0.016 | 49.873 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 55 | ARG | 1 | 0.857 | 0.897 | 40.674 | 7.519 | 7.519 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 56 | LEU | 0 | 0.013 | 0.007 | 44.081 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 57 | ASP | -1 | -0.796 | -0.880 | 42.788 | -7.240 | -7.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 58 | ILE | 0 | -0.023 | 0.007 | 40.252 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 59 | GLN | 0 | -0.061 | -0.045 | 39.847 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 60 | MET | 0 | -0.018 | -0.013 | 38.465 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 61 | ILE | 0 | -0.035 | -0.014 | 36.797 | 0.210 | 0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 62 | MET | 0 | -0.007 | 0.005 | 38.912 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 63 | ILE | 0 | 0.041 | 0.019 | 39.688 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 64 | MET | 0 | -0.032 | -0.012 | 42.695 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 65 | ASN | 0 | 0.021 | 0.009 | 45.814 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 66 | GLY | 0 | 0.051 | 0.033 | 45.673 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 67 | THR | 0 | -0.021 | -0.001 | 47.231 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 68 | LEU | 0 | -0.013 | -0.003 | 41.014 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 69 | TYR | 0 | 0.035 | 0.005 | 44.198 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 70 | ILE | 0 | -0.024 | -0.024 | 42.563 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 71 | ALA | 0 | 0.019 | 0.018 | 43.010 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 72 | ALA | 0 | 0.023 | 0.006 | 43.418 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 73 | ARG | 1 | 0.869 | 0.937 | 45.713 | 6.684 | 6.684 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 74 | ASP | -1 | -0.857 | -0.940 | 47.763 | -6.212 | -6.212 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 75 | HIS | 0 | -0.061 | -0.037 | 49.844 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 76 | ILE | 0 | 0.002 | 0.009 | 47.114 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 77 | TYR | 0 | -0.010 | -0.009 | 47.655 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 78 | THR | 0 | 0.034 | 0.009 | 47.953 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 79 | VAL | 0 | -0.001 | -0.003 | 46.076 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 80 | ASP | -1 | -0.795 | -0.868 | 47.490 | -6.411 | -6.411 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 81 | ILE | 0 | -0.053 | -0.023 | 42.823 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 82 | ASP | -1 | -0.958 | -0.973 | 46.389 | -6.684 | -6.684 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 83 | THR | 0 | -0.077 | -0.035 | 48.630 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 84 | SER | 0 | 0.011 | -0.007 | 49.424 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 85 | HIS | 0 | 0.016 | 0.001 | 42.378 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 86 | THR | 0 | -0.018 | -0.005 | 47.204 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 87 | GLU | -1 | -0.927 | -0.964 | 45.704 | -6.760 | -6.760 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 88 | GLU | -1 | -0.845 | -0.918 | 45.461 | -6.760 | -6.760 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 89 | ILE | 0 | -0.016 | -0.001 | 42.783 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 90 | TYR | -1 | -0.806 | -0.897 | 47.287 | -6.169 | -6.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 91 | CYS | 0 | -0.075 | -0.031 | 49.977 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 92 | SER | 0 | -0.057 | -0.041 | 51.212 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 93 | LYS | 1 | 0.937 | 0.967 | 52.751 | 6.145 | 6.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 94 | LYS | 1 | 0.962 | 0.974 | 52.527 | 5.781 | 5.781 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 95 | LEU | 0 | 0.031 | 0.045 | 52.453 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 96 | THR | 0 | -0.032 | -0.041 | 53.225 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 97 | TRP | 0 | -0.005 | -0.006 | 51.685 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 98 | LYS | 1 | 0.988 | 0.997 | 53.680 | 5.553 | 5.553 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 99 | SER | 0 | 0.042 | 0.008 | 53.807 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 100 | ARG | 1 | 0.820 | 0.881 | 55.812 | 5.538 | 5.538 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 101 | GLN | 0 | -0.017 | -0.014 | 58.541 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 102 | ALA | 0 | 0.031 | 0.001 | 59.893 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 103 | ASP | -1 | -0.819 | -0.886 | 56.031 | -5.794 | -5.794 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 104 | VAL | 0 | -0.018 | -0.016 | 54.906 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 105 | ASP | -1 | -0.882 | -0.931 | 55.754 | -5.484 | -5.484 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 106 | THR | 0 | -0.024 | -0.023 | 56.431 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 107 | CYS | 0 | -0.115 | -0.015 | 47.090 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 108 | ARG | 1 | 0.987 | 0.979 | 52.997 | 5.761 | 5.761 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 109 | MET | 0 | -0.040 | -0.010 | 54.292 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 110 | LYS | 1 | 0.900 | 0.965 | 52.255 | 6.050 | 6.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 111 | GLY | 0 | -0.003 | 0.007 | 51.325 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 112 | LYS | 1 | 0.858 | 0.957 | 44.006 | 7.087 | 7.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 113 | HIS | 0 | 0.086 | 0.037 | 47.350 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 114 | LYS | 1 | 0.963 | 0.966 | 49.256 | 5.990 | 5.990 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 115 | ASP | -1 | -0.886 | -0.957 | 46.956 | -6.615 | -6.615 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 116 | GLU | -1 | -0.897 | -0.959 | 44.550 | -7.311 | -7.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 118 | HIS | 0 | -0.043 | -0.020 | 49.075 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 119 | ASN | 0 | -0.011 | -0.011 | 49.594 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 120 | PHE | 0 | -0.036 | -0.012 | 44.448 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 121 | ILE | 0 | 0.010 | 0.007 | 45.832 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 122 | LYS | 1 | 0.844 | 0.915 | 38.711 | 8.061 | 8.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 123 | VAL | 0 | -0.022 | -0.007 | 42.419 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 124 | LEU | 0 | 0.021 | 0.012 | 43.826 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 125 | LEU | 0 | 0.001 | 0.000 | 42.430 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 126 | LYS | 1 | 0.916 | 0.968 | 45.950 | 6.728 | 6.728 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 127 | LYS | 1 | 0.846 | 0.928 | 48.076 | 5.980 | 5.980 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 128 | ASN | 0 | 0.004 | -0.006 | 50.655 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 129 | ASP | -1 | -0.914 | -0.966 | 51.471 | -6.254 | -6.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 130 | ASP | -1 | -0.838 | -0.916 | 53.381 | -5.777 | -5.777 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 131 | ALA | 0 | 0.005 | 0.005 | 54.439 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 132 | LEU | 0 | -0.020 | -0.016 | 48.931 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 133 | PHE | 0 | -0.009 | -0.017 | 47.845 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 134 | VAL | 0 | 0.009 | 0.002 | 48.528 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 135 | CYS | 0 | -0.071 | -0.035 | 47.380 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 136 | GLY | 0 | 0.062 | 0.027 | 47.304 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 137 | THR | 0 | -0.013 | -0.007 | 45.199 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 138 | ASN | 0 | -0.072 | -0.036 | 48.032 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 139 | ALA | 0 | -0.005 | 0.003 | 50.797 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 140 | PHE | 0 | 0.008 | -0.008 | 44.846 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 141 | ASN | 0 | -0.061 | -0.043 | 49.773 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 142 | PRO | 0 | 0.017 | 0.021 | 48.094 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 143 | SER | 0 | -0.011 | 0.004 | 50.352 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 145 | ARG | 1 | 0.872 | 0.938 | 52.391 | 5.786 | 5.786 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 146 | ASN | 0 | 0.036 | 0.026 | 53.249 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 147 | TYR | 0 | 0.024 | 0.011 | 53.351 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 148 | LYS | 1 | 0.980 | 1.001 | 55.254 | 5.306 | 5.306 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 149 | MET | 0 | -0.013 | -0.011 | 49.795 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 150 | ASP | -1 | -0.876 | -0.914 | 54.333 | -5.582 | -5.582 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 151 | THR | 0 | -0.011 | -0.036 | 57.311 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 152 | LEU | 0 | -0.070 | -0.025 | 52.323 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 153 | GLU | -1 | -0.913 | -0.944 | 56.272 | -5.242 | -5.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 154 | PRO | 0 | -0.064 | -0.044 | 58.145 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 155 | PHE | 0 | -0.010 | -0.028 | 58.093 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 156 | GLY | 0 | -0.007 | -0.002 | 59.917 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 157 | ASP | -1 | -0.925 | -0.957 | 60.265 | -5.440 | -5.440 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 158 | GLU | -1 | -0.815 | -0.868 | 56.958 | -5.687 | -5.687 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 159 | PHE | 0 | 0.034 | 0.028 | 52.489 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 160 | SER | 0 | 0.015 | -0.008 | 53.766 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 161 | GLY | 0 | 0.082 | 0.022 | 50.329 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 162 | MET | 0 | -0.003 | 0.003 | 48.482 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 163 | ALA | 0 | 0.000 | -0.001 | 45.658 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 164 | ARG | 1 | 0.885 | 0.943 | 45.224 | 6.283 | 6.283 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 165 | CYS | 0 | 0.001 | 0.007 | 44.534 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 166 | PRO | 0 | -0.044 | -0.005 | 41.387 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 167 | TYR | 0 | -0.025 | -0.033 | 43.864 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 168 | ASP | -1 | -0.811 | -0.913 | 41.828 | -7.605 | -7.605 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 169 | ALA | 0 | 0.012 | 0.006 | 41.972 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 170 | LYS | 1 | 0.923 | 0.951 | 37.673 | 7.831 | 7.831 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 171 | HIS | 0 | 0.003 | 0.014 | 36.759 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 172 | ALA | 0 | -0.024 | 0.003 | 33.985 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 173 | ASN | 0 | -0.032 | -0.037 | 36.011 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 174 | VAL | 0 | 0.001 | 0.010 | 35.009 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 175 | ALA | 0 | -0.017 | -0.017 | 38.250 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 176 | LEU | 0 | 0.030 | 0.023 | 38.979 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 177 | PHE | 0 | 0.015 | 0.001 | 42.091 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 178 | ALA | 0 | 0.021 | 0.009 | 42.893 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 179 | ASP | -1 | -0.844 | -0.919 | 45.051 | -6.613 | -6.613 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 180 | GLY | 0 | 0.043 | 0.026 | 48.053 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 181 | LYS | 1 | 0.774 | 0.882 | 47.347 | 6.772 | 6.772 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 182 | LEU | 0 | -0.028 | 0.008 | 45.312 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 183 | TYR | 0 | 0.026 | -0.004 | 42.014 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 184 | SER | 0 | -0.019 | -0.031 | 41.843 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 185 | ALA | 0 | -0.008 | 0.006 | 37.929 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 186 | THR | 0 | 0.023 | 0.017 | 39.475 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 187 | VAL | 0 | -0.014 | 0.009 | 40.118 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 188 | THR | 0 | -0.011 | -0.008 | 42.540 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 189 | ASP | -1 | -0.844 | -0.906 | 44.670 | -7.088 | -7.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 190 | PHE | 0 | 0.029 | 0.004 | 45.696 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 191 | LEU | 0 | -0.024 | -0.010 | 44.990 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 192 | ALA | 0 | -0.046 | -0.018 | 40.853 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 193 | ILE | 0 | 0.014 | 0.002 | 40.468 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 194 | ASP | -1 | -0.842 | -0.922 | 41.058 | -7.361 | -7.361 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 195 | ALA | 0 | -0.026 | -0.016 | 38.344 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 196 | VAL | 0 | -0.068 | -0.028 | 40.395 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 197 | ILE | 0 | 0.028 | 0.018 | 36.600 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 198 | TYR | 0 | -0.008 | -0.019 | 41.123 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 199 | ARG | 1 | 0.889 | 0.941 | 44.193 | 6.753 | 6.753 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 200 | SER | 0 | -0.033 | -0.023 | 46.748 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 201 | LEU | 0 | 0.003 | -0.015 | 50.002 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 202 | GLY | 0 | 0.046 | 0.042 | 51.372 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 203 | GLU | -1 | -1.000 | -0.997 | 52.328 | -5.761 | -5.761 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 204 | SER | 0 | 0.044 | 0.035 | 51.557 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 205 | PRO | 0 | -0.023 | -0.011 | 52.383 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 206 | THR | 0 | -0.037 | -0.026 | 50.463 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 207 | LEU | 0 | -0.036 | 0.006 | 46.455 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 208 | ARG | 1 | 0.805 | 0.874 | 44.512 | 7.058 | 7.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 209 | THR | 0 | 0.055 | 0.031 | 39.668 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 210 | VAL | 0 | 0.001 | 0.008 | 42.908 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 211 | LYS | 1 | 0.885 | 0.951 | 43.160 | 6.555 | 6.555 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 212 | HIS | 0 | 0.002 | -0.010 | 42.642 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 213 | ASP | -1 | -0.794 | -0.885 | 40.190 | -8.040 | -8.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 214 | SER | 0 | -0.012 | -0.024 | 36.586 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 215 | LYS | 1 | 0.904 | 0.960 | 35.737 | 8.274 | 8.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 216 | TRP | 0 | -0.011 | -0.005 | 35.452 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 217 | LEU | 0 | 0.008 | 0.012 | 35.062 | -0.263 | -0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 218 | LYS | 1 | 0.930 | 0.976 | 32.302 | 9.992 | 9.992 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 219 | GLU | -1 | -0.860 | -0.948 | 32.683 | -9.667 | -9.667 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 220 | PRO | 0 | -0.024 | 0.003 | 32.396 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 221 | TYR | 0 | 0.009 | -0.007 | 30.435 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 222 | PHE | 0 | 0.023 | -0.015 | 31.257 | -0.392 | -0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 223 | VAL | 0 | -0.068 | -0.018 | 28.395 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 224 | GLN | 0 | 0.015 | -0.001 | 31.681 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 225 | ALA | 0 | -0.043 | -0.026 | 33.382 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 226 | VAL | 0 | 0.001 | 0.018 | 33.262 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 227 | ASP | -1 | -0.814 | -0.904 | 36.252 | -7.853 | -7.853 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 228 | TYR | 0 | -0.053 | -0.054 | 35.100 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 229 | GLY | 0 | 0.037 | 0.029 | 37.771 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 230 | ASP | -1 | -0.861 | -0.927 | 40.399 | -7.418 | -7.418 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 231 | TYR | 0 | -0.031 | -0.030 | 37.613 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 232 | ILE | 0 | -0.031 | -0.003 | 38.278 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 233 | TYR | 0 | 0.010 | 0.000 | 32.890 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 234 | PHE | 0 | 0.016 | -0.005 | 34.314 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 235 | PHE | 0 | 0.040 | 0.011 | 27.705 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 236 | PHE | 0 | -0.018 | -0.018 | 29.584 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 237 | ARG | 1 | 0.866 | 0.946 | 26.421 | 11.180 | 11.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 238 | GLU | -1 | -0.743 | -0.847 | 28.036 | -9.785 | -9.785 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 239 | ILE | 0 | -0.052 | -0.019 | 27.868 | -0.516 | -0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 240 | ALA | 0 | -0.019 | -0.006 | 25.719 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 241 | VAL | 0 | -0.033 | -0.030 | 27.853 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 242 | GLU | -1 | -0.754 | -0.864 | 25.592 | -11.855 | -11.855 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 243 | TYR | 0 | -0.009 | -0.014 | 19.149 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 244 | ASN | 0 | -0.013 | -0.004 | 25.443 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 245 | THR | 0 | 0.016 | 0.014 | 24.843 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 246 | MET | 0 | -0.001 | 0.010 | 19.646 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 247 | GLY | 0 | 0.027 | 0.023 | 25.069 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 248 | LYS | 1 | 0.875 | 0.929 | 27.414 | 9.517 | 9.517 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 249 | VAL | 0 | 0.018 | 0.025 | 22.074 | -0.275 | -0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 250 | VAL | 0 | -0.009 | -0.003 | 24.423 | 0.361 | 0.361 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 251 | PHE | 0 | -0.031 | -0.032 | 21.112 | -0.826 | -0.826 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 252 | PRO | 0 | -0.015 | 0.019 | 21.617 | 0.615 | 0.615 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 253 | ARG | 1 | 0.744 | 0.812 | 24.906 | 11.441 | 11.441 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 254 | VAL | 0 | 0.050 | 0.031 | 27.731 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 255 | ALA | 0 | -0.013 | -0.015 | 29.693 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 256 | GLN | 0 | 0.018 | 0.028 | 33.231 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 257 | VAL | 0 | -0.006 | -0.009 | 36.030 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 258 | CYS | 0 | 0.020 | 0.015 | 39.860 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 259 | LYS | 1 | 0.832 | 0.889 | 42.091 | 7.778 | 7.778 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 260 | ASN | 0 | -0.020 | -0.012 | 44.800 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 261 | ASP | -1 | -0.732 | -0.812 | 44.643 | -7.097 | -7.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 262 | MET | 0 | 0.019 | -0.002 | 47.159 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 263 | GLY | 0 | 0.010 | 0.024 | 48.696 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 264 | GLY | 0 | 0.012 | 0.003 | 49.677 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 265 | SER | 0 | 0.054 | 0.026 | 50.512 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 266 | GLN | 0 | -0.024 | -0.029 | 53.673 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 267 | ARG | 1 | 0.822 | 0.901 | 54.615 | 5.879 | 5.879 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 268 | VAL | 0 | -0.037 | -0.013 | 48.627 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 269 | LEU | 0 | 0.009 | -0.009 | 44.859 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 270 | GLU | -1 | -0.792 | -0.875 | 49.002 | -5.886 | -5.886 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 271 | LYS | 1 | 0.884 | 0.936 | 50.745 | 5.891 | 5.891 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 272 | GLN | 0 | -0.056 | -0.028 | 45.805 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 273 | TRP | 0 | -0.021 | -0.016 | 42.642 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 274 | THR | 0 | -0.044 | -0.046 | 44.234 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 275 | SER | 0 | -0.010 | -0.024 | 41.215 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 276 | PHE | 0 | -0.045 | -0.013 | 35.970 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 277 | LEU | 0 | 0.010 | 0.017 | 34.578 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 278 | LYS | 1 | 0.788 | 0.864 | 31.446 | 9.730 | 9.730 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 279 | ALA | 0 | 0.055 | 0.031 | 27.619 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 280 | ARG | 1 | 0.874 | 0.949 | 18.569 | 15.868 | 15.868 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 281 | LEU | 0 | 0.025 | 0.022 | 22.835 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 282 | ASN | 0 | 0.032 | 0.027 | 16.839 | -1.217 | -1.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 283 | CYS | 0 | -0.027 | 0.024 | 17.201 | -1.864 | -1.864 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 284 | SER | 0 | -0.001 | -0.022 | 13.118 | -0.464 | -0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 285 | VAL | 0 | 0.008 | 0.007 | 8.125 | 0.651 | 0.651 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 286 | PRO | 0 | -0.021 | -0.008 | 9.834 | -0.615 | -0.615 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 287 | GLY | 0 | -0.010 | -0.022 | 7.042 | -5.017 | -5.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 288 | ASP | -1 | -0.951 | -0.956 | 7.135 | -26.945 | -26.945 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 289 | SER | 0 | 0.013 | 0.001 | 8.468 | 3.016 | 3.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 290 | HIS | 0 | -0.004 | 0.008 | 9.241 | -2.871 | -2.871 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 291 | PHE | 0 | -0.003 | 0.006 | 9.694 | 1.883 | 1.883 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 292 | TYR | 0 | 0.002 | -0.018 | 11.540 | 0.417 | 0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 293 | PHE | 0 | -0.007 | -0.004 | 12.235 | 0.485 | 0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 294 | ASN | 0 | 0.020 | -0.007 | 16.969 | 0.788 | 0.788 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 295 | ILE | 0 | -0.029 | -0.008 | 20.263 | 0.912 | 0.912 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 296 | LEU | 0 | 0.044 | 0.030 | 22.421 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 297 | GLN | 0 | -0.048 | -0.027 | 23.194 | 1.101 | 1.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 298 | ALA | 0 | -0.010 | -0.011 | 25.509 | 0.636 | 0.636 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 299 | VAL | 0 | -0.006 | -0.007 | 26.034 | -0.610 | -0.610 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 300 | THR | 0 | -0.021 | -0.006 | 27.775 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 301 | ASP | -1 | -0.805 | -0.900 | 30.200 | -9.328 | -9.328 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 302 | VAL | 0 | -0.021 | -0.020 | 31.589 | -0.363 | -0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 303 | ILE | 0 | -0.019 | -0.004 | 28.163 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 304 | ARG | 1 | 0.819 | 0.906 | 30.958 | 9.159 | 9.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 305 | ILE | 0 | 0.040 | 0.004 | 25.459 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 306 | ASN | 0 | -0.002 | -0.008 | 26.570 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 307 | GLY | 0 | 0.032 | 0.018 | 29.424 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 308 | ARG | 1 | 0.817 | 0.879 | 24.610 | 12.614 | 12.614 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 309 | ASP | -1 | -0.774 | -0.844 | 30.485 | -9.398 | -9.398 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 310 | VAL | 0 | -0.016 | -0.014 | 25.598 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 311 | VAL | 0 | 0.022 | 0.028 | 26.934 | 0.345 | 0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 312 | LEU | 0 | -0.003 | -0.010 | 23.192 | -0.682 | -0.682 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 313 | ALA | 0 | 0.019 | 0.011 | 23.393 | 0.543 | 0.543 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 314 | THR | 0 | -0.008 | -0.015 | 21.435 | -0.825 | -0.825 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 315 | PHE | 0 | 0.013 | -0.003 | 18.758 | 0.575 | 0.575 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 316 | SER | 0 | 0.004 | -0.004 | 18.533 | -0.407 | -0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 317 | THR | 0 | -0.011 | -0.016 | 15.341 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 318 | PRO | 0 | 0.058 | 0.014 | 18.361 | 0.786 | 0.786 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 319 | TYR | 0 | -0.038 | -0.027 | 20.851 | -0.435 | -0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 320 | ASN | 0 | -0.004 | 0.012 | 22.460 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 321 | SER | 0 | -0.030 | -0.032 | 17.489 | -0.481 | -0.481 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 322 | ILE | 0 | 0.065 | 0.039 | 13.257 | 0.658 | 0.658 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 323 | PRO | 0 | -0.046 | -0.009 | 16.580 | -0.283 | -0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 324 | GLY | 0 | 0.084 | 0.052 | 14.856 | -1.080 | -1.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 325 | SER | 0 | -0.100 | -0.071 | 15.630 | 1.754 | 1.754 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 326 | ALA | 0 | 0.033 | 0.032 | 14.934 | -1.130 | -1.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 327 | VAL | 0 | 0.013 | 0.010 | 16.636 | 1.300 | 1.300 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 329 | ALA | 0 | 0.055 | 0.040 | 19.561 | 0.809 | 0.809 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 330 | TYR | 0 | -0.028 | -0.040 | 20.050 | -0.584 | -0.584 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 331 | ASP | -1 | -0.739 | -0.855 | 24.526 | -11.135 | -11.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 332 | MET | 0 | -0.007 | 0.000 | 27.070 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 333 | LEU | 0 | -0.010 | 0.000 | 29.921 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 334 | ASP | -1 | -0.883 | -0.944 | 25.175 | -12.548 | -12.548 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 335 | ILE | 0 | -0.064 | -0.046 | 27.391 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 336 | ALA | 0 | 0.000 | 0.003 | 29.158 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 337 | SER | 0 | 0.035 | 0.021 | 29.088 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 338 | VAL | 0 | -0.022 | 0.008 | 26.892 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 339 | PHE | 0 | -0.025 | -0.019 | 29.503 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 340 | THR | 0 | -0.071 | -0.048 | 32.634 | 0.382 | 0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 341 | GLY | 0 | 0.070 | 0.047 | 30.865 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 342 | ARG | 1 | 0.864 | 0.934 | 28.242 | 11.146 | 11.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 343 | PHE | 0 | 0.086 | 0.038 | 31.585 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 344 | LYS | 1 | 0.849 | 0.953 | 26.099 | 11.901 | 11.901 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 345 | GLU | -1 | -0.768 | -0.863 | 32.266 | -8.318 | -8.318 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 346 | GLN | 0 | -0.020 | -0.001 | 32.740 | -0.302 | -0.302 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 347 | LYS | 1 | 0.833 | 0.900 | 34.516 | 9.411 | 9.411 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 348 | SER | 0 | 0.028 | 0.024 | 36.366 | 0.252 | 0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 349 | PRO | 0 | -0.014 | -0.014 | 36.401 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 350 | ASP | -1 | -0.903 | -0.941 | 33.879 | -9.086 | -9.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 351 | SER | 0 | -0.031 | -0.019 | 32.455 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 352 | THR | 0 | -0.008 | -0.011 | 27.439 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 353 | TRP | 0 | -0.014 | -0.009 | 28.465 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 354 | THR | 0 | -0.003 | 0.003 | 28.638 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 355 | PRO | 0 | 0.022 | 0.015 | 28.883 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 356 | VAL | 0 | -0.058 | -0.029 | 31.625 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 357 | PRO | 0 | 0.008 | -0.002 | 35.117 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 358 | ASP | -1 | -0.844 | -0.919 | 36.708 | -8.042 | -8.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 359 | GLU | -1 | -0.937 | -0.967 | 38.450 | -7.780 | -7.780 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 360 | ARG | 1 | 0.851 | 0.912 | 38.876 | 8.259 | 8.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 361 | VAL | 0 | -0.059 | -0.021 | 38.303 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 362 | PRO | 0 | -0.015 | 0.000 | 41.683 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 363 | LYS | 1 | 0.920 | 0.927 | 41.666 | 7.534 | 7.534 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 364 | PRO | 0 | -0.049 | 0.017 | 45.515 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 365 | ARG | 1 | 0.919 | 0.947 | 35.308 | 8.842 | 8.842 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 366 | PRO | 0 | 0.018 | 0.000 | 39.415 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 367 | GLY | 0 | 0.022 | 0.006 | 38.856 | -0.237 | -0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 368 | CYS | 0 | -0.040 | -0.010 | 39.933 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 370 | ALA | 0 | 0.026 | 0.009 | 44.403 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 371 | GLY | 0 | 0.026 | 0.017 | 48.144 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 372 | SER | 0 | 0.022 | 0.029 | 44.247 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 373 | SER | 0 | 0.069 | 0.033 | 43.948 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 374 | SER | 0 | -0.093 | -0.057 | 45.048 | -0.183 | -0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 375 | LEU | 0 | -0.047 | -0.032 | 44.261 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 376 | GLU | -1 | -0.915 | -0.953 | 48.254 | -6.322 | -6.322 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 377 | ARG | 1 | 0.875 | 0.942 | 50.452 | 6.396 | 6.396 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 378 | TYR | 0 | -0.012 | -0.005 | 49.566 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 379 | ALA | 0 | 0.045 | 0.029 | 51.876 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 380 | THR | 0 | -0.008 | -0.025 | 51.499 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 381 | SER | 0 | 0.040 | -0.004 | 48.093 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 382 | ASN | 0 | -0.108 | -0.052 | 49.910 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 383 | GLU | -1 | -0.869 | -0.927 | 53.007 | -5.783 | -5.783 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 384 | PHE | 0 | -0.038 | -0.018 | 45.802 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 385 | PRO | 0 | -0.003 | 0.006 | 49.127 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 386 | ASP | -1 | -0.738 | -0.857 | 49.318 | -6.189 | -6.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 387 | ASP | -1 | -0.834 | -0.919 | 48.326 | -6.820 | -6.820 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 388 | THR | 0 | 0.012 | 0.007 | 44.466 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 389 | LEU | 0 | -0.019 | 0.000 | 44.501 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 390 | ASN | 0 | -0.023 | -0.038 | 45.270 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 391 | PHE | 0 | -0.018 | 0.010 | 38.403 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 392 | ILE | 0 | 0.025 | 0.005 | 39.502 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 393 | LYS | 1 | 0.932 | 0.979 | 40.109 | 6.864 | 6.864 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 394 | THR | 0 | -0.034 | -0.034 | 40.731 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 395 | HIS | 1 | 0.761 | 0.886 | 36.492 | 8.169 | 8.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 396 | PRO | 0 | 0.053 | 0.029 | 35.697 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 397 | LEU | 0 | -0.037 | -0.005 | 28.805 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 398 | MET | 0 | 0.006 | 0.019 | 29.589 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 399 | ASP | -1 | -0.885 | -0.977 | 27.997 | -11.790 | -11.790 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 400 | GLU | -1 | -0.902 | -0.954 | 25.144 | -12.164 | -12.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 401 | ALA | 0 | -0.053 | -0.037 | 21.761 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 402 | VAL | 0 | 0.005 | 0.006 | 23.064 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 403 | PRO | 0 | 0.052 | 0.017 | 20.332 | -0.712 | -0.712 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 404 | SER | 0 | 0.015 | 0.007 | 17.792 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 405 | ILE | 0 | -0.002 | -0.007 | 19.399 | -0.378 | -0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 406 | PHE | 0 | -0.033 | -0.016 | 16.205 | -0.505 | -0.505 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 407 | ASN | 0 | -0.062 | -0.027 | 15.425 | -0.786 | -0.786 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 408 | ARG | 1 | 0.885 | 0.944 | 11.736 | 20.508 | 20.508 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 409 | PRO | 0 | -0.004 | -0.013 | 12.256 | 1.385 | 1.385 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 410 | TRP | 0 | -0.039 | -0.028 | 14.258 | -0.493 | -0.493 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 411 | PHE | 0 | 0.000 | 0.001 | 15.676 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 412 | LEU | 0 | 0.008 | -0.002 | 10.084 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 413 | ARG | 1 | 0.808 | 0.910 | 13.806 | 18.348 | 18.348 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 414 | THR | 0 | -0.069 | -0.063 | 10.552 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 415 | MET | 0 | -0.023 | -0.010 | 9.605 | 1.216 | 1.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 416 | VAL | 0 | 0.007 | 0.031 | 14.155 | 1.342 | 1.342 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 417 | ARG | 1 | 0.879 | 0.915 | 15.151 | 17.649 | 17.649 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 418 | TYR | 0 | -0.043 | -0.023 | 20.215 | 0.505 | 0.505 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 419 | ARG | 1 | 0.872 | 0.927 | 20.356 | 14.052 | 14.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 420 | LEU | 0 | 0.034 | 0.013 | 19.120 | 0.713 | 0.713 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 421 | THR | 0 | 0.002 | -0.013 | 22.482 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 422 | LYS | 1 | 0.922 | 0.988 | 25.577 | 10.039 | 10.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 423 | ILE | 0 | 0.031 | 0.013 | 23.951 | -0.378 | -0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 424 | ALA | 0 | 0.004 | 0.014 | 27.414 | 0.435 | 0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 425 | VAL | 0 | -0.003 | -0.009 | 26.534 | -0.419 | -0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 426 | ASP | -1 | -0.773 | -0.859 | 29.190 | -9.277 | -9.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 427 | THR | 0 | -0.026 | -0.024 | 29.116 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 428 | ALA | 0 | 0.004 | 0.015 | 31.016 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 429 | ALA | 0 | 0.008 | 0.024 | 30.477 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 430 | GLY | 0 | 0.010 | -0.010 | 32.640 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 431 | PRO | 0 | -0.004 | 0.005 | 33.691 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 432 | TYR | 0 | 0.003 | -0.014 | 35.409 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 433 | GLN | 0 | -0.054 | -0.016 | 35.151 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 434 | ASN | 0 | 0.007 | 0.006 | 32.688 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 435 | HIS | 0 | 0.026 | 0.025 | 28.427 | -0.719 | -0.719 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 436 | THR | 0 | -0.014 | -0.024 | 26.084 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 437 | VAL | 0 | -0.042 | -0.004 | 25.774 | -0.552 | -0.552 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 438 | VAL | 0 | -0.021 | -0.008 | 23.658 | 0.349 | 0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 439 | PHE | 0 | 0.026 | 0.007 | 25.206 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 440 | LEU | 0 | -0.009 | -0.010 | 21.157 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 441 | GLY | 0 | 0.074 | 0.027 | 25.306 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 442 | SER | 0 | -0.019 | -0.030 | 24.217 | -0.485 | -0.485 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 443 | GLU | -1 | -0.858 | -0.904 | 25.504 | -11.342 | -11.342 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 444 | LYS | 1 | 0.925 | 0.949 | 25.479 | 11.523 | 11.523 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 445 | GLY | 0 | 0.042 | 0.032 | 27.926 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 446 | ILE | 0 | -0.077 | -0.024 | 24.396 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 447 | ILE | 0 | 0.005 | 0.015 | 26.517 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 448 | LEU | 0 | -0.013 | -0.009 | 19.847 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 449 | LYS | 1 | 0.762 | 0.870 | 23.657 | 11.343 | 11.343 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 450 | PHE | 0 | 0.010 | -0.004 | 20.119 | -0.488 | -0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 451 | LEU | 0 | 0.053 | 0.030 | 22.244 | 0.565 | 0.565 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 452 | ALA | 0 | -0.008 | -0.002 | 21.256 | -0.756 | -0.756 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 453 | ARG | 1 | 0.895 | 0.951 | 19.925 | 15.576 | 15.576 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 454 | ILE | 0 | 0.036 | 0.022 | 21.798 | -0.535 | -0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 455 | GLY | 0 | 0.031 | 0.022 | 21.414 | -0.387 | -0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 456 | ASN | 0 | -0.027 | -0.016 | 22.146 | 0.703 | 0.703 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 457 | SER | 0 | 0.028 | 0.014 | 21.447 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 458 | GLY | 0 | 0.040 | 0.029 | 19.043 | -0.782 | -0.782 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 459 | PHE | 0 | -0.037 | -0.009 | 18.763 | -0.726 | -0.726 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 460 | LEU | 0 | 0.034 | 0.004 | 13.498 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 461 | ASN | 0 | 0.017 | 0.004 | 17.363 | -0.474 | -0.474 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 462 | ASP | -1 | -0.865 | -0.930 | 15.640 | -18.538 | -18.538 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 463 | SER | 0 | -0.057 | -0.023 | 15.566 | -0.498 | -0.498 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 464 | LEU | 0 | 0.030 | -0.003 | 17.948 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 465 | PHE | 0 | -0.020 | -0.011 | 17.882 | 0.773 | 0.773 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 466 | LEU | 0 | 0.021 | 0.025 | 19.794 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 467 | GLU | -1 | -0.749 | -0.875 | 23.373 | -11.455 | -11.455 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 468 | GLU | -1 | -0.790 | -0.864 | 20.576 | -15.274 | -15.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 469 | MET | 0 | -0.009 | -0.008 | 24.194 | 0.553 | 0.553 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 470 | SER | 0 | -0.012 | 0.005 | 27.717 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 471 | VAL | 0 | 0.021 | 0.018 | 29.430 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 472 | TYR | 0 | -0.012 | -0.002 | 32.249 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 473 | ASN | 0 | 0.067 | 0.031 | 34.186 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 474 | SER | 0 | -0.013 | -0.053 | 36.830 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 475 | GLU | -1 | -0.978 | -0.977 | 38.690 | -7.198 | -7.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 476 | LYS | 1 | 0.897 | 0.944 | 41.313 | 7.228 | 7.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 477 | CYS | 0 | -0.038 | 0.014 | 38.648 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 478 | SER | 0 | 0.009 | 0.022 | 38.942 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 479 | TYR | 0 | -0.066 | -0.021 | 40.873 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 480 | ASP | -1 | -0.860 | -0.923 | 43.425 | -6.802 | -6.802 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 481 | GLY | 0 | 0.007 | 0.007 | 43.097 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 482 | VAL | 0 | -0.050 | -0.021 | 39.001 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 483 | GLU | -1 | -0.785 | -0.876 | 35.283 | -8.849 | -8.849 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 484 | ASP | -1 | -0.888 | -0.950 | 34.922 | -9.320 | -9.320 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 485 | LYS | 1 | 0.832 | 0.915 | 31.285 | 9.672 | 9.672 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 486 | ARG | 1 | 0.875 | 0.917 | 29.567 | 9.938 | 9.938 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 487 | ILE | 0 | -0.009 | 0.011 | 29.056 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 488 | MET | 0 | -0.026 | -0.008 | 31.958 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 489 | GLY | 0 | -0.011 | -0.020 | 33.854 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 490 | MET | 0 | -0.044 | -0.013 | 28.279 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 491 | GLN | 0 | 0.009 | 0.006 | 33.894 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 492 | LEU | 0 | 0.001 | 0.008 | 32.207 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 493 | ASP | -1 | -0.747 | -0.843 | 35.570 | -7.749 | -7.749 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 494 | ARG | 1 | 0.894 | 0.931 | 34.638 | 9.000 | 9.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 495 | ALA | 0 | -0.017 | 0.008 | 38.802 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 496 | SER | 0 | -0.026 | -0.058 | 42.147 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 497 | SER | 0 | -0.012 | -0.001 | 38.236 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 498 | SER | 0 | -0.029 | -0.028 | 37.303 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 499 | LEU | 0 | -0.026 | -0.011 | 31.107 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 500 | TYR | 0 | 0.046 | 0.017 | 35.355 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 501 | VAL | 0 | -0.010 | -0.011 | 32.700 | -0.236 | -0.236 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 502 | ALA | 0 | 0.014 | 0.012 | 35.311 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 503 | PHE | 0 | 0.025 | -0.003 | 32.108 | -0.362 | -0.362 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 504 | SER | 0 | 0.031 | 0.017 | 36.637 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 505 | THR | 0 | -0.052 | -0.050 | 38.886 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 507 | VAL | 0 | 0.021 | 0.001 | 39.073 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 508 | ILE | 0 | 0.009 | 0.008 | 36.010 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 509 | LYS | 1 | 0.918 | 0.973 | 37.826 | 7.281 | 7.281 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 510 | VAL | 0 | -0.005 | -0.001 | 32.646 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 511 | PRO | 0 | -0.002 | 0.000 | 35.859 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 512 | LEU | 0 | 0.002 | 0.016 | 32.806 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 513 | GLY | 0 | 0.029 | 0.004 | 31.864 | -0.400 | -0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 514 | ARG | 1 | 0.820 | 0.899 | 28.641 | 10.483 | 10.483 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 515 | CYS | 0 | -0.046 | 0.013 | 33.062 | 0.343 | 0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 516 | GLU | -1 | -0.881 | -0.930 | 35.589 | -8.079 | -8.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 517 | ARG | 1 | 0.950 | 0.989 | 29.178 | 10.492 | 10.492 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 518 | TYR | 0 | -0.030 | -0.045 | 29.098 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 519 | GLY | 0 | 0.049 | 0.034 | 35.020 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 520 | LYS | 1 | 0.964 | 0.962 | 38.814 | 7.427 | 7.427 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 521 | CYS | 0 | 0.033 | 0.034 | 35.224 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 522 | LYS | 1 | 0.882 | 0.937 | 35.219 | 8.107 | 8.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 523 | LYS | 1 | 0.951 | 0.994 | 30.317 | 10.060 | 10.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 524 | THR | 0 | 0.052 | 0.012 | 30.191 | -0.321 | -0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 525 | CYS | 0 | -0.095 | -0.014 | 30.831 | -0.364 | -0.364 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 526 | ILE | 0 | -0.016 | 0.006 | 30.954 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 527 | ALA | 0 | 0.001 | -0.003 | 27.384 | -0.336 | -0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 528 | SER | 0 | -0.051 | -0.033 | 26.659 | -0.526 | -0.526 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 529 | ARG | 1 | 0.807 | 0.904 | 21.317 | 13.251 | 13.251 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 530 | ASP | -1 | -0.670 | -0.837 | 27.302 | -11.020 | -11.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 531 | PRO | 0 | -0.001 | -0.010 | 28.027 | 0.403 | 0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 532 | TYR | 0 | -0.059 | -0.070 | 30.507 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 534 | GLY | 0 | 0.067 | 0.035 | 34.522 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 535 | TRP | 0 | 0.022 | 0.006 | 36.529 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 536 | ILE | 0 | 0.016 | 0.017 | 38.716 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 537 | LYS | 1 | 0.859 | 0.911 | 41.668 | 7.740 | 7.740 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 538 | GLU | -1 | -0.815 | -0.916 | 44.685 | -7.017 | -7.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 539 | GLY | 0 | -0.003 | 0.005 | 46.001 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 540 | GLY | 0 | -0.030 | -0.002 | 44.814 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 541 | ALA | 0 | -0.040 | -0.032 | 41.586 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 543 | SER | 0 | -0.044 | -0.023 | 38.582 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 544 | HIS | 0 | 0.046 | -0.010 | 36.901 | -0.431 | -0.431 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 545 | LEU | 0 | -0.038 | -0.001 | 36.550 | 0.241 | 0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 546 | SER | 0 | 0.013 | -0.003 | 38.623 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 547 | PRO | 0 | 0.028 | 0.006 | 38.763 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 548 | ASN | 0 | -0.044 | -0.010 | 40.457 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 549 | SER | 0 | -0.004 | 0.010 | 42.431 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 550 | ARG | 1 | 0.946 | 0.963 | 44.250 | 6.221 | 6.221 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 551 | LEU | 0 | -0.022 | 0.002 | 45.411 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 552 | THR | 0 | -0.024 | -0.016 | 43.384 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 553 | PHE | 0 | 0.010 | -0.008 | 37.215 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 554 | GLU | -1 | -0.832 | -0.892 | 37.044 | -8.160 | -8.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 555 | GLN | 0 | -0.035 | -0.046 | 32.645 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 556 | ASP | -1 | -0.858 | -0.921 | 30.050 | -9.799 | -9.799 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 557 | ILE | 0 | -0.030 | -0.015 | 26.939 | -0.452 | -0.452 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 558 | GLU | -1 | -0.954 | -0.962 | 25.491 | -12.201 | -12.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 559 | ARG | 1 | 0.905 | 0.937 | 24.272 | 11.764 | 11.764 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 560 | GLY | 0 | 0.076 | 0.040 | 25.818 | 0.393 | 0.393 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 561 | ASN | 0 | -0.019 | 0.014 | 27.121 | -0.731 | -0.731 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 562 | THR | 0 | -0.023 | -0.019 | 28.500 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 563 | ASP | -1 | -0.865 | -0.930 | 31.011 | -9.950 | -9.950 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 564 | GLY | 0 | -0.007 | -0.013 | 32.973 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 565 | LEU | 0 | -0.059 | -0.042 | 34.908 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 566 | GLY | 0 | 0.005 | 0.007 | 34.858 | -0.275 | -0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 567 | ASP | -2 | -1.885 | -1.943 | 32.614 | -18.360 | -18.360 | 0.000 | 0.000 | 0.000 | 0.000 |