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: JKNJ9
Calculation Name: 1DMT-A-Xray549
Preferred Name: Neprilysin
Target Type: SINGLE PROTEIN
Ligand Name: n-alpha-l-rhamnopyranosyloxy(hydroxyphosphinyl)-l-leucyl-l-tryptophan | 2-acetamido-2-deoxy-beta-d-glucopyranose
Ligand 3-letter code: RDF | NAG
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1DMT
Chain ID: A
ChEMBL ID: CHEMBL1944
UniProt ID: P08473
Base Structure: X-ray
Registration Date: 2025-10-11
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 | OptH |
| Protonation | MOE:Protonate 3D |
| Complement | ac.sh, 23 2024 Oct |
| Water | No |
| Procedure | Manual calculation |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 690 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -17823280.081134 |
|---|---|
| FMO2-HF: Nuclear repulsion | 17543263.688094 |
| FMO2-HF: Total energy | -280016.39304 |
| FMO2-MP2: Total energy | -280830.750298 |
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:54:GLY)
Summations of interaction energy for
fragment #1(A:54: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. |
| 15.148 | 16.539 | -0.011 | -0.462 | -0.92 | 0 |
Interaction energy analysis for fragmet #1(A:54: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 | 56 | CYS | 0 | -0.049 | -0.012 | 3.841 | 1.610 | 2.520 | -0.010 | -0.333 | -0.567 | 0.000 |
| 4 | A | 57 | LYS | 1 | 0.976 | 0.969 | 4.579 | 46.891 | 46.927 | -0.001 | -0.007 | -0.028 | 0.000 |
| 616 | A | 672 | LYS | 1 | 0.923 | 0.948 | 3.865 | 45.471 | 45.680 | 0.001 | -0.056 | -0.155 | 0.000 |
| 617 | A | 673 | LEU | 0 | 0.045 | 0.041 | 4.070 | 3.159 | 3.395 | -0.001 | -0.066 | -0.170 | 0.000 |
| 5 | A | 58 | SER | 0 | 0.064 | 0.040 | 8.999 | 1.775 | 1.775 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 59 | SER | 0 | 0.076 | 0.016 | 11.970 | -0.599 | -0.599 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 60 | ASP | -1 | -0.820 | -0.899 | 14.971 | -17.218 | -17.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 62 | ILE | 0 | 0.013 | 0.009 | 12.202 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 63 | LYS | 1 | 0.907 | 0.961 | 14.176 | 16.581 | 16.581 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 64 | SER | 0 | -0.010 | -0.014 | 15.050 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 65 | ALA | 0 | 0.020 | 0.004 | 12.933 | 0.579 | 0.579 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 66 | ALA | 0 | 0.014 | 0.009 | 15.051 | 0.751 | 0.751 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 67 | ARG | 1 | 0.869 | 0.926 | 17.816 | 16.457 | 16.457 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 68 | LEU | 0 | -0.033 | -0.017 | 15.835 | 0.552 | 0.552 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 69 | ILE | 0 | 0.040 | -0.001 | 14.284 | 0.762 | 0.762 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 70 | GLN | 0 | -0.066 | -0.027 | 18.718 | 1.145 | 1.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 71 | ASN | 0 | 0.000 | -0.007 | 22.182 | 1.101 | 1.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 72 | MET | 0 | -0.007 | 0.018 | 18.130 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 73 | ASP | -1 | -0.870 | -0.893 | 22.837 | -12.204 | -12.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 74 | ALA | 0 | -0.023 | -0.022 | 20.095 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 75 | THR | 0 | -0.092 | -0.066 | 21.925 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 76 | THR | 0 | -0.021 | -0.018 | 25.199 | 0.558 | 0.558 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 77 | GLU | -1 | -0.870 | -0.946 | 23.951 | -13.661 | -13.661 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 78 | PRO | 0 | 0.019 | 0.009 | 21.065 | 0.501 | 0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 79 | CYS | 0 | 0.002 | 0.018 | 22.175 | 0.563 | 0.563 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 80 | THR | 0 | -0.063 | -0.030 | 26.557 | 0.620 | 0.620 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 81 | ASP | -1 | -0.774 | -0.890 | 28.197 | -10.018 | -10.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 82 | PHE | 0 | 0.043 | 0.004 | 21.028 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 83 | PHE | 0 | 0.015 | 0.015 | 25.975 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 84 | LYS | 1 | 0.863 | 0.908 | 27.930 | 9.654 | 9.654 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 85 | TYR | 0 | 0.030 | 0.027 | 18.283 | -0.439 | -0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 86 | ALA | 0 | 0.004 | 0.001 | 22.945 | -0.523 | -0.523 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 87 | CYS | 0 | -0.041 | 0.005 | 24.023 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 88 | GLY | 0 | 0.065 | 0.037 | 26.672 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 89 | GLY | 0 | -0.023 | 0.002 | 25.326 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 90 | TRP | 0 | -0.018 | -0.014 | 26.385 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 91 | LEU | 0 | -0.018 | -0.022 | 28.308 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 92 | LYS | 1 | 0.927 | 0.974 | 29.351 | 11.069 | 11.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 93 | ARG | 1 | 0.840 | 0.927 | 23.931 | 12.902 | 12.902 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 94 | ASN | 0 | -0.027 | -0.011 | 30.099 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 95 | VAL | 0 | -0.006 | 0.004 | 33.705 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 96 | ILE | 0 | -0.026 | -0.001 | 37.477 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 97 | PRO | 0 | 0.053 | 0.030 | 37.999 | 0.242 | 0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 98 | GLU | -1 | -0.780 | -0.858 | 41.029 | -7.102 | -7.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 99 | THR | 0 | -0.031 | -0.015 | 42.705 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 100 | SER | 0 | -0.029 | -0.004 | 40.580 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 101 | SER | 0 | 0.036 | 0.006 | 42.684 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 102 | ARG | 1 | 0.821 | 0.926 | 37.200 | 8.503 | 8.503 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 103 | TYR | 0 | 0.009 | 0.008 | 34.215 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 104 | GLY | 0 | 0.081 | 0.019 | 32.240 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 105 | ASN | 0 | -0.049 | -0.009 | 27.764 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 106 | PHE | 0 | 0.036 | 0.012 | 30.168 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 107 | ASP | -1 | -0.857 | -0.918 | 32.811 | -8.555 | -8.555 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 108 | ILE | 0 | 0.007 | 0.011 | 30.267 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 109 | LEU | 0 | 0.063 | 0.027 | 27.996 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 110 | ARG | 1 | 0.842 | 0.924 | 32.112 | 8.539 | 8.539 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 111 | ASP | -1 | -0.864 | -0.938 | 35.318 | -8.544 | -8.544 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 112 | GLU | -1 | -0.917 | -0.966 | 29.921 | -10.723 | -10.723 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 113 | LEU | 0 | -0.019 | 0.002 | 33.992 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 114 | GLU | -1 | -0.798 | -0.900 | 35.200 | -7.870 | -7.870 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 115 | VAL | 0 | -0.050 | -0.014 | 35.684 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 116 | VAL | 0 | 0.025 | 0.023 | 33.907 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 117 | LEU | 0 | -0.020 | -0.015 | 37.062 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 118 | LYS | 1 | 0.881 | 0.925 | 40.458 | 7.833 | 7.833 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 119 | ASP | -1 | -0.901 | -0.953 | 37.900 | -8.119 | -8.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 120 | VAL | 0 | -0.068 | -0.029 | 39.041 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 121 | LEU | 0 | -0.041 | -0.023 | 41.799 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 122 | GLN | 0 | -0.027 | 0.007 | 42.165 | 0.269 | 0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 123 | GLU | -1 | -0.890 | -0.942 | 44.098 | -7.141 | -7.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 124 | PRO | 0 | -0.053 | -0.019 | 46.829 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 125 | LYS | 1 | 0.953 | 0.973 | 42.193 | 7.424 | 7.424 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 126 | THR | 0 | -0.005 | -0.011 | 48.552 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 127 | GLU | -1 | -0.933 | -0.961 | 48.045 | -6.504 | -6.504 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 128 | ASP | -1 | -0.810 | -0.874 | 46.888 | -6.948 | -6.948 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 129 | ILE | 0 | -0.003 | 0.007 | 47.853 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 130 | VAL | 0 | 0.039 | 0.011 | 50.660 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 131 | ALA | 0 | 0.022 | 0.009 | 49.618 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 132 | VAL | 0 | 0.028 | 0.015 | 46.198 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 133 | GLN | 0 | -0.050 | -0.032 | 48.904 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 134 | LYS | 1 | 0.829 | 0.920 | 52.069 | 5.725 | 5.725 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 135 | ALA | 0 | 0.071 | 0.025 | 48.127 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 136 | LYS | 1 | 0.775 | 0.861 | 45.441 | 6.953 | 6.953 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 137 | ALA | 0 | 0.001 | 0.009 | 50.174 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 138 | LEU | 0 | -0.020 | 0.001 | 51.440 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 139 | TYR | 0 | 0.014 | 0.010 | 45.828 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 140 | ARG | 1 | 0.836 | 0.870 | 50.565 | 6.123 | 6.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 141 | SER | 0 | -0.034 | -0.022 | 52.830 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 142 | CYS | 0 | -0.060 | -0.016 | 47.306 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 143 | ILE | 0 | 0.004 | -0.013 | 48.871 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 144 | ASN | 0 | -0.008 | 0.018 | 52.225 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 145 | GLU | -1 | -0.739 | -0.873 | 53.555 | -6.018 | -6.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 146 | SER | 0 | 0.011 | 0.014 | 56.769 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 147 | ALA | 0 | -0.005 | 0.014 | 59.408 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 148 | ILE | 0 | 0.003 | 0.011 | 56.503 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 149 | ASP | -1 | -0.826 | -0.938 | 59.454 | -5.462 | -5.462 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 150 | SER | 0 | -0.082 | -0.052 | 61.981 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 151 | ARG | 1 | 0.729 | 0.833 | 63.370 | 5.193 | 5.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 152 | GLY | 0 | -0.022 | -0.004 | 65.173 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 153 | GLY | 0 | 0.056 | -0.013 | 64.483 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 154 | GLU | -1 | -0.825 | -0.891 | 66.607 | -4.568 | -4.568 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 155 | PRO | 0 | -0.052 | -0.036 | 64.363 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 156 | LEU | 0 | 0.011 | 0.003 | 64.297 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 157 | LEU | 0 | -0.010 | 0.003 | 66.752 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 158 | LYS | 1 | 0.853 | 0.909 | 69.131 | 4.701 | 4.701 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 159 | LEU | 0 | -0.038 | 0.000 | 64.476 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 160 | LEU | 0 | 0.014 | 0.001 | 68.450 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 161 | PRO | 0 | -0.007 | -0.003 | 70.627 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 162 | ASP | -1 | -0.829 | -0.876 | 69.176 | -4.666 | -4.666 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 163 | ILE | 0 | -0.050 | -0.019 | 66.760 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 164 | TYR | 0 | -0.007 | -0.002 | 70.169 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 165 | GLY | 0 | 0.058 | 0.045 | 72.741 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 166 | TRP | 0 | -0.018 | -0.020 | 67.152 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 167 | PRO | 0 | -0.004 | 0.007 | 72.124 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 168 | VAL | 0 | 0.051 | 0.040 | 70.810 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 169 | ALA | 0 | -0.017 | 0.005 | 71.806 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 170 | THR | 0 | -0.053 | -0.028 | 73.934 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 171 | GLU | -1 | -0.855 | -0.929 | 77.019 | -3.998 | -3.998 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 172 | ASN | 0 | -0.005 | -0.015 | 80.739 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 173 | TRP | 0 | 0.036 | 0.011 | 75.212 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 174 | GLU | -1 | -0.802 | -0.904 | 79.838 | -4.093 | -4.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 175 | GLN | 0 | -0.045 | -0.022 | 82.140 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 176 | LYS | 1 | 0.812 | 0.915 | 80.196 | 4.083 | 4.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 177 | TYR | 0 | 0.040 | 0.019 | 76.176 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 178 | GLY | 0 | -0.010 | -0.010 | 79.456 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 179 | ALA | 0 | 0.018 | 0.011 | 80.570 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 180 | SER | 0 | -0.054 | -0.020 | 80.062 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 181 | TRP | 0 | -0.023 | -0.015 | 73.648 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 182 | THR | 0 | -0.027 | -0.054 | 76.231 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 183 | ALA | 0 | 0.037 | 0.027 | 72.972 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 184 | GLU | -1 | -0.754 | -0.845 | 71.987 | -4.378 | -4.378 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 185 | LYS | 1 | 0.969 | 0.980 | 71.613 | 4.121 | 4.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 186 | ALA | 0 | -0.021 | -0.002 | 71.524 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 187 | ILE | 0 | 0.009 | -0.001 | 66.410 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 188 | ALA | 0 | 0.013 | 0.008 | 66.993 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 189 | GLN | 0 | -0.013 | 0.004 | 67.492 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 190 | LEU | 0 | 0.012 | 0.004 | 64.797 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 191 | ASN | 0 | -0.054 | -0.030 | 62.824 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 192 | SER | 0 | -0.044 | -0.050 | 62.572 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 193 | LYS | 1 | 0.880 | 0.943 | 63.934 | 4.720 | 4.720 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 194 | TYR | 0 | -0.032 | -0.068 | 61.688 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 195 | GLY | 0 | 0.038 | 0.035 | 58.898 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 196 | LYS | 1 | 0.753 | 0.856 | 57.699 | 5.532 | 5.532 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 197 | LYS | 1 | 0.834 | 0.935 | 58.014 | 5.662 | 5.662 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 198 | VAL | 0 | 0.032 | 0.019 | 61.042 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 199 | LEU | 0 | 0.050 | 0.020 | 63.786 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 200 | ILE | 0 | 0.027 | 0.009 | 64.359 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 201 | ASN | 0 | -0.020 | -0.008 | 57.066 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 202 | LEU | 0 | 0.024 | 0.031 | 61.217 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 203 | PHE | 0 | -0.043 | -0.030 | 55.490 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 204 | VAL | 0 | 0.059 | 0.049 | 58.461 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 205 | GLY | 0 | 0.019 | 0.004 | 55.630 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 206 | THR | 0 | 0.019 | 0.020 | 52.004 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 207 | ASP | -1 | -0.780 | -0.846 | 54.787 | -5.492 | -5.492 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 208 | ASP | -1 | -0.773 | -0.868 | 53.460 | -5.996 | -5.996 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 209 | LYS | 1 | 0.883 | 0.955 | 53.639 | 5.538 | 5.538 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 210 | ASN | 0 | -0.033 | -0.016 | 55.762 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 211 | SER | 0 | 0.079 | 0.014 | 50.802 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 212 | VAL | 0 | -0.059 | -0.026 | 52.571 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 213 | ASN | 0 | -0.045 | -0.031 | 54.523 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 214 | HIS | 0 | -0.004 | -0.001 | 54.934 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 215 | VAL | 0 | 0.002 | 0.013 | 58.132 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 216 | ILE | 0 | 0.020 | 0.004 | 59.959 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 217 | HIS | 1 | 0.820 | 0.923 | 56.106 | 5.714 | 5.714 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 218 | ILE | 0 | 0.016 | 0.001 | 60.742 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 219 | ASP | -1 | -0.763 | -0.844 | 56.852 | -5.760 | -5.760 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 220 | GLN | 0 | 0.009 | 0.009 | 57.014 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 221 | PRO | 0 | -0.067 | -0.020 | 59.159 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 222 | ARG | 1 | 0.971 | 0.979 | 53.082 | 6.034 | 6.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 223 | LEU | 0 | 0.010 | 0.030 | 57.124 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 224 | GLY | 0 | -0.009 | -0.007 | 57.144 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 225 | LEU | 0 | -0.025 | -0.012 | 56.134 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 226 | PRO | 0 | -0.030 | -0.015 | 51.044 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 227 | SER | 0 | -0.020 | -0.042 | 52.313 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 228 | ARG | 1 | 0.904 | 0.937 | 54.378 | 5.617 | 5.617 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 229 | ASP | -1 | -0.812 | -0.878 | 54.007 | -6.013 | -6.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 230 | TYR | 0 | 0.048 | 0.016 | 51.392 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 231 | TYR | 0 | 0.000 | -0.037 | 56.890 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 232 | GLU | -1 | -0.900 | -0.958 | 57.278 | -5.617 | -5.617 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 233 | CYS | 0 | -0.134 | -0.067 | 57.285 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 234 | THR | 0 | 0.013 | 0.009 | 60.200 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 235 | GLY | 0 | 0.003 | -0.012 | 57.529 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 236 | ILE | 0 | 0.007 | -0.002 | 51.605 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 237 | TYR | 0 | 0.051 | 0.035 | 52.948 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 238 | LYS | 1 | 0.916 | 0.972 | 56.657 | 5.336 | 5.336 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 239 | GLU | -1 | -0.903 | -0.943 | 56.111 | -5.562 | -5.562 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 240 | ALA | 0 | 0.030 | 0.008 | 55.272 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 242 | THR | 0 | -0.009 | -0.002 | 60.809 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 243 | ALA | 0 | 0.042 | 0.018 | 58.372 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 244 | TYR | 0 | -0.072 | -0.062 | 59.512 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 245 | VAL | 0 | 0.045 | 0.006 | 60.994 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 246 | ASP | -1 | -0.858 | -0.934 | 63.265 | -4.989 | -4.989 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 247 | PHE | 0 | -0.074 | -0.021 | 58.613 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 248 | MET | 0 | -0.036 | -0.005 | 62.765 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 249 | ILE | 0 | 0.029 | 0.008 | 65.503 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 250 | SER | 0 | -0.039 | -0.033 | 64.492 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 251 | VAL | 0 | -0.006 | 0.004 | 62.991 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 252 | ALA | 0 | 0.001 | -0.002 | 66.150 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 253 | ARG | 1 | 0.839 | 0.909 | 67.407 | 4.822 | 4.822 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 254 | LEU | 0 | -0.022 | -0.005 | 64.773 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 255 | ILE | 0 | 0.039 | 0.016 | 67.272 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 256 | ARG | 1 | 0.829 | 0.895 | 70.614 | 4.346 | 4.346 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 257 | GLN | 0 | -0.023 | -0.013 | 70.924 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 258 | GLU | -1 | -0.824 | -0.882 | 68.969 | -4.747 | -4.747 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 259 | GLU | -1 | -0.902 | -0.968 | 72.943 | -4.334 | -4.334 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 260 | ARG | 1 | 0.852 | 0.932 | 75.651 | 4.319 | 4.319 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 261 | LEU | 0 | -0.011 | 0.014 | 76.585 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 262 | PRO | 0 | -0.006 | -0.011 | 78.142 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 263 | ILE | 0 | -0.006 | -0.005 | 73.901 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 264 | ASP | -1 | -0.853 | -0.922 | 77.759 | -4.117 | -4.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 265 | GLU | -1 | -0.805 | -0.906 | 72.617 | -4.600 | -4.600 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 266 | ASN | 0 | -0.046 | -0.016 | 74.756 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 267 | GLN | 0 | -0.001 | -0.002 | 76.477 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 268 | LEU | 0 | -0.019 | -0.012 | 71.980 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 269 | ALA | 0 | 0.036 | 0.012 | 71.788 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 270 | LEU | 0 | -0.010 | 0.002 | 72.512 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 271 | GLU | -1 | -0.778 | -0.856 | 73.835 | -4.347 | -4.347 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 272 | MET | 0 | -0.021 | -0.005 | 68.509 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 273 | ASN | 0 | -0.031 | -0.028 | 68.683 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 274 | LYS | 1 | 0.928 | 0.972 | 69.867 | 4.259 | 4.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 275 | VAL | 0 | -0.020 | -0.018 | 67.060 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 276 | MET | 0 | -0.015 | 0.005 | 61.847 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 277 | GLU | -1 | -0.946 | -0.976 | 66.608 | -4.573 | -4.573 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 278 | LEU | 0 | 0.018 | 0.015 | 68.461 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 279 | GLU | -1 | -0.779 | -0.878 | 61.695 | -5.406 | -5.406 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 280 | LYS | 1 | 0.930 | 0.972 | 63.903 | 4.943 | 4.943 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 281 | GLU | -1 | -0.871 | -0.917 | 64.996 | -4.641 | -4.641 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 282 | ILE | 0 | -0.009 | -0.009 | 63.051 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 283 | ALA | 0 | 0.019 | 0.006 | 60.676 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 284 | ASN | 0 | -0.038 | -0.014 | 61.341 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 285 | ALA | 0 | -0.014 | -0.005 | 63.656 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 286 | THR | 0 | -0.085 | -0.051 | 59.240 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 287 | ALA | 0 | 0.040 | 0.021 | 58.740 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 288 | LYS | 1 | 0.935 | 0.967 | 54.725 | 5.806 | 5.806 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 289 | PRO | 0 | -0.019 | -0.018 | 50.771 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 290 | GLU | -1 | -0.788 | -0.897 | 50.813 | -6.306 | -6.306 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 291 | ASP | -1 | -0.936 | -0.958 | 52.397 | -5.772 | -5.772 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 292 | ARG | 1 | 0.741 | 0.830 | 53.620 | 5.968 | 5.968 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 293 | ASN | 0 | 0.031 | 0.020 | 48.782 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 294 | ASP | -1 | -0.849 | -0.919 | 49.942 | -6.238 | -6.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 295 | PRO | 0 | 0.012 | -0.005 | 49.882 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 296 | MET | 0 | -0.061 | -0.029 | 53.058 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 297 | LEU | 0 | -0.027 | 0.000 | 55.677 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 298 | LEU | 0 | 0.008 | 0.017 | 54.165 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 299 | TYR | 0 | -0.064 | -0.071 | 56.773 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 300 | ASN | 0 | -0.054 | -0.025 | 58.592 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 301 | LYS | 1 | 0.797 | 0.905 | 61.589 | 5.257 | 5.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 302 | MET | 0 | -0.069 | -0.026 | 63.718 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 303 | THR | 0 | 0.078 | 0.031 | 67.306 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 304 | LEU | 0 | 0.026 | 0.002 | 68.965 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 305 | ALA | 0 | -0.037 | -0.011 | 71.380 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 306 | GLN | 0 | 0.029 | 0.026 | 70.186 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 307 | ILE | 0 | 0.026 | 0.019 | 66.987 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 308 | GLN | 0 | -0.041 | -0.021 | 71.191 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 309 | ASN | 0 | -0.055 | -0.019 | 74.575 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 310 | ASN | 0 | -0.015 | -0.013 | 70.771 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 311 | PHE | 0 | 0.012 | 0.001 | 67.769 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 312 | SER | 0 | 0.045 | 0.036 | 72.187 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 313 | LEU | 0 | 0.000 | 0.000 | 70.350 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 314 | GLU | -1 | -0.925 | -0.971 | 74.999 | -3.979 | -3.979 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 315 | ILE | 0 | 0.019 | 0.007 | 72.920 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 316 | ASN | 0 | -0.008 | -0.012 | 76.974 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 317 | GLY | 0 | 0.031 | 0.024 | 79.684 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 318 | LYS | 1 | 0.794 | 0.924 | 78.476 | 4.189 | 4.189 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 319 | PRO | 0 | 0.039 | 0.005 | 79.564 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 320 | PHE | 0 | -0.020 | -0.013 | 70.549 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 321 | SER | 0 | -0.006 | 0.003 | 76.238 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 322 | TRP | 0 | 0.076 | 0.005 | 67.349 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 323 | LEU | 0 | -0.001 | 0.022 | 71.836 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 324 | ASN | 0 | -0.048 | -0.021 | 73.657 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 325 | PHE | 0 | 0.006 | -0.001 | 66.391 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 326 | THR | 0 | 0.004 | -0.017 | 67.405 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 327 | ASN | 0 | -0.005 | -0.023 | 69.250 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 328 | GLU | -1 | -0.894 | -0.929 | 71.667 | -4.381 | -4.381 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 329 | ILE | 0 | -0.029 | -0.007 | 65.061 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 330 | MET | 0 | -0.001 | 0.012 | 64.136 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 331 | SER | 0 | 0.027 | -0.005 | 67.987 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 332 | THR | 0 | -0.089 | -0.039 | 65.707 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 333 | VAL | 0 | -0.046 | -0.027 | 63.827 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 334 | ASN | 0 | -0.063 | -0.028 | 67.077 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 335 | ILE | 0 | 0.002 | 0.013 | 64.972 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 336 | SER | 0 | -0.005 | -0.003 | 69.328 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 337 | ILE | 0 | -0.031 | -0.012 | 67.593 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 338 | THR | 0 | 0.058 | 0.039 | 71.473 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 339 | ASN | 0 | -0.005 | -0.030 | 72.628 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 340 | GLU | -1 | -0.890 | -0.962 | 72.870 | -4.341 | -4.341 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 341 | GLU | -1 | -0.829 | -0.859 | 66.609 | -4.896 | -4.896 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 342 | ASP | -1 | -0.819 | -0.922 | 64.719 | -4.945 | -4.945 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 343 | VAL | 0 | -0.055 | -0.038 | 63.908 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 344 | VAL | 0 | 0.000 | 0.007 | 58.381 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 345 | VAL | 0 | -0.035 | -0.025 | 61.282 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 346 | TYR | 0 | -0.016 | -0.051 | 54.556 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 347 | ALA | 0 | 0.013 | 0.004 | 59.164 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 348 | PRO | 0 | 0.042 | 0.025 | 61.633 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 349 | GLU | -1 | -0.897 | -0.951 | 63.097 | -5.072 | -5.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 350 | TYR | 0 | -0.031 | -0.026 | 62.649 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 351 | LEU | 0 | -0.001 | -0.009 | 64.718 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 352 | THR | 0 | -0.042 | -0.033 | 67.630 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 353 | LYS | 1 | 0.902 | 0.950 | 64.258 | 5.099 | 5.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 354 | LEU | 0 | 0.008 | 0.013 | 67.191 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 355 | LYS | 1 | 0.920 | 0.972 | 69.662 | 4.322 | 4.322 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 356 | PRO | 0 | -0.025 | -0.020 | 72.410 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 357 | ILE | 0 | 0.033 | 0.044 | 68.727 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 358 | LEU | 0 | 0.009 | -0.011 | 70.150 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 359 | THR | 0 | -0.070 | -0.031 | 74.048 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 360 | LYS | 1 | 0.913 | 0.956 | 75.528 | 4.218 | 4.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 361 | TYR | 0 | -0.081 | -0.049 | 72.138 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 362 | SER | 0 | -0.019 | -0.028 | 76.138 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 363 | ALA | 0 | 0.020 | -0.009 | 75.944 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 364 | ARG | 1 | 0.787 | 0.878 | 75.268 | 4.167 | 4.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 365 | ASP | -1 | -0.768 | -0.860 | 73.848 | -4.370 | -4.370 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 366 | LEU | 0 | 0.020 | 0.004 | 71.152 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 367 | GLN | 0 | 0.028 | 0.012 | 70.240 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 368 | ASN | 0 | 0.026 | -0.007 | 70.285 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 369 | LEU | 0 | 0.031 | 0.028 | 64.622 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 370 | MET | 0 | -0.067 | -0.036 | 66.017 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 371 | SER | 0 | 0.049 | 0.008 | 65.616 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 372 | TRP | 0 | 0.024 | 0.032 | 61.671 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 373 | ARG | 1 | 0.816 | 0.878 | 57.801 | 5.427 | 5.427 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 374 | PHE | 0 | -0.015 | 0.002 | 60.266 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 375 | ILE | 0 | 0.052 | 0.020 | 60.968 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 376 | MET | 0 | -0.009 | 0.029 | 57.516 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 377 | ASP | -1 | -0.891 | -0.937 | 56.676 | -5.890 | -5.890 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 378 | LEU | 0 | -0.012 | -0.007 | 56.837 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 379 | VAL | 0 | 0.000 | 0.004 | 58.222 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 380 | SER | 0 | -0.008 | -0.009 | 54.212 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 381 | SER | 0 | -0.029 | -0.018 | 56.168 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 382 | LEU | 0 | -0.010 | 0.023 | 57.749 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 383 | SER | 0 | 0.042 | 0.029 | 59.526 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 384 | ARG | 1 | 0.804 | 0.896 | 53.980 | 5.891 | 5.891 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 385 | THR | 0 | 0.043 | 0.022 | 59.715 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 386 | TYR | 0 | -0.036 | -0.032 | 61.762 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 387 | LYS | 1 | 0.815 | 0.931 | 55.244 | 5.705 | 5.705 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 388 | GLU | -1 | -0.927 | -0.973 | 57.239 | -5.543 | -5.543 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 389 | SER | 0 | -0.055 | -0.038 | 58.851 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 390 | ARG | 1 | 0.958 | 0.990 | 52.141 | 6.082 | 6.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 391 | ASN | 0 | 0.004 | 0.004 | 55.056 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 392 | ALA | 0 | 0.026 | 0.012 | 54.811 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 393 | PHE | 0 | 0.033 | 0.015 | 55.714 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 394 | ARG | 1 | 0.839 | 0.905 | 50.273 | 6.228 | 6.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 395 | LYS | 1 | 0.980 | 0.997 | 51.067 | 6.163 | 6.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 396 | ALA | 0 | 0.040 | 0.017 | 51.277 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 397 | LEU | 0 | -0.013 | 0.009 | 51.424 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 398 | TYR | 0 | -0.055 | -0.029 | 46.804 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 399 | GLY | 0 | 0.091 | 0.044 | 46.448 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 400 | THR | 0 | -0.090 | -0.035 | 45.545 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 401 | THR | 0 | -0.026 | -0.045 | 48.021 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 402 | SER | 0 | -0.030 | -0.016 | 47.613 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 403 | GLU | -1 | -0.868 | -0.926 | 48.701 | -6.238 | -6.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 404 | THR | 0 | 0.043 | 0.007 | 43.621 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 405 | ALA | 0 | 0.037 | 0.019 | 44.631 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 406 | THR | 0 | 0.021 | -0.016 | 46.468 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 407 | TRP | 0 | 0.050 | 0.020 | 39.709 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 408 | ARG | 1 | 0.837 | 0.916 | 37.782 | 8.286 | 8.286 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 409 | ARG | 1 | 0.822 | 0.914 | 44.235 | 6.419 | 6.419 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 411 | ALA | 0 | 0.029 | 0.016 | 42.985 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 412 | ASN | 0 | -0.052 | -0.049 | 41.994 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 413 | TYR | 0 | 0.011 | 0.023 | 44.739 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 414 | VAL | 0 | 0.017 | 0.003 | 46.551 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 415 | ASN | 0 | -0.016 | -0.024 | 40.586 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 416 | GLY | 0 | -0.014 | -0.006 | 44.919 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 417 | ASN | 0 | -0.081 | -0.050 | 46.810 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 418 | MET | 0 | -0.038 | 0.001 | 48.035 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 419 | GLU | -1 | -0.838 | -0.907 | 43.944 | -7.287 | -7.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 420 | ASN | 0 | -0.030 | -0.041 | 43.277 | -0.388 | -0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 421 | ALA | 0 | 0.014 | 0.011 | 43.905 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 422 | VAL | 0 | 0.004 | 0.000 | 41.692 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 423 | GLY | 0 | -0.007 | -0.003 | 39.929 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 424 | ARG | 1 | 0.785 | 0.868 | 39.191 | 6.992 | 6.992 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 425 | LEU | 0 | 0.002 | -0.001 | 39.535 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 426 | TYR | 0 | 0.045 | 0.011 | 32.364 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 427 | VAL | 0 | -0.047 | -0.036 | 34.968 | -0.308 | -0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 428 | GLU | -1 | -0.888 | -0.955 | 34.785 | -8.019 | -8.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 429 | ALA | 0 | -0.048 | -0.012 | 35.698 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 430 | ALA | 0 | -0.032 | -0.015 | 31.841 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 431 | PHE | 0 | -0.012 | -0.003 | 29.447 | -0.391 | -0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 432 | ALA | 0 | 0.028 | 0.020 | 27.359 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 433 | GLY | 0 | 0.067 | 0.029 | 28.903 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 434 | GLU | -1 | -0.906 | -0.965 | 26.378 | -11.171 | -11.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 435 | SER | 0 | -0.068 | -0.043 | 25.728 | -0.483 | -0.483 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 436 | LYS | 1 | 0.904 | 0.966 | 26.808 | 9.003 | 9.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 437 | HIS | 1 | 0.862 | 0.919 | 27.157 | 10.400 | 10.400 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 438 | VAL | 0 | 0.000 | 0.007 | 21.783 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 439 | VAL | 0 | 0.022 | 0.006 | 24.813 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 440 | GLU | -1 | -0.828 | -0.911 | 27.183 | -9.859 | -9.859 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 441 | ASP | -1 | -0.877 | -0.914 | 24.150 | -12.471 | -12.471 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 442 | LEU | 0 | -0.027 | -0.017 | 21.780 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 443 | ILE | 0 | 0.014 | -0.002 | 25.781 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 444 | ALA | 0 | -0.002 | 0.013 | 28.755 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 445 | GLN | 0 | 0.003 | 0.011 | 22.002 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 446 | ILE | 0 | -0.045 | -0.016 | 25.242 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 447 | ARG | 1 | 0.803 | 0.901 | 28.566 | 9.150 | 9.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 448 | GLU | -1 | -0.945 | -0.973 | 28.399 | -10.634 | -10.634 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 449 | VAL | 0 | -0.047 | -0.024 | 26.149 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 450 | PHE | 0 | -0.033 | 0.002 | 29.562 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 451 | ILE | 0 | 0.030 | 0.003 | 32.824 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 452 | GLN | 0 | -0.028 | -0.022 | 28.222 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 453 | THR | 0 | -0.021 | -0.013 | 31.252 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 454 | LEU | 0 | -0.010 | 0.006 | 33.265 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 455 | ASP | -1 | -0.911 | -0.942 | 35.463 | -8.335 | -8.335 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 456 | ASP | -1 | -0.947 | -0.981 | 32.608 | -9.671 | -9.671 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 457 | LEU | 0 | -0.048 | -0.012 | 35.711 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 458 | THR | 0 | -0.032 | -0.026 | 38.312 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 459 | TRP | 0 | -0.021 | 0.000 | 38.722 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 460 | MET | 0 | -0.003 | 0.020 | 41.299 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 461 | ASP | -1 | -0.749 | -0.802 | 43.933 | -6.758 | -6.758 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 462 | ALA | 0 | 0.052 | -0.004 | 44.415 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 463 | GLU | -1 | -0.902 | -0.920 | 45.496 | -6.255 | -6.255 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 464 | THR | 0 | 0.022 | -0.023 | 44.989 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 465 | LYS | 1 | 0.804 | 0.907 | 39.523 | 7.939 | 7.939 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 466 | LYS | 1 | 0.977 | 0.997 | 42.108 | 6.819 | 6.819 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 467 | ARG | 1 | 0.809 | 0.889 | 43.852 | 6.364 | 6.364 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 468 | ALA | 0 | 0.029 | 0.019 | 40.689 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 469 | GLU | -1 | -0.915 | -0.964 | 38.787 | -8.200 | -8.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 470 | GLU | -1 | -0.908 | -0.956 | 40.338 | -6.878 | -6.878 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 471 | LYS | 1 | 0.791 | 0.898 | 41.775 | 7.339 | 7.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 472 | ALA | 0 | 0.024 | 0.012 | 36.763 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 473 | LEU | 0 | -0.031 | -0.023 | 37.158 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 474 | ALA | 0 | -0.050 | -0.018 | 39.167 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 475 | ILE | 0 | -0.044 | 0.008 | 36.810 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 476 | LYS | 1 | 0.865 | 0.944 | 38.374 | 7.144 | 7.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 477 | GLU | -1 | -0.812 | -0.915 | 33.624 | -9.057 | -9.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 478 | ARG | 1 | 0.801 | 0.923 | 36.361 | 7.892 | 7.892 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 479 | ILE | 0 | 0.035 | 0.023 | 30.824 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 480 | GLY | 0 | 0.026 | 0.003 | 33.282 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 481 | TYR | 0 | -0.002 | -0.017 | 33.837 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 482 | PRO | 0 | -0.011 | 0.011 | 37.506 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 483 | ASP | -1 | -0.853 | -0.927 | 38.981 | -7.951 | -7.951 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 484 | ASP | -1 | -0.777 | -0.882 | 40.551 | -6.943 | -6.943 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 485 | ILE | 0 | -0.068 | -0.020 | 40.093 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 486 | VAL | 0 | -0.020 | -0.007 | 38.984 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 487 | SER | 0 | -0.027 | -0.027 | 42.420 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 488 | ASN | 0 | -0.039 | -0.018 | 44.154 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 489 | ASP | -1 | -0.744 | -0.873 | 47.272 | -6.730 | -6.730 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 490 | ASN | 0 | -0.036 | -0.019 | 49.391 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 491 | LYS | 1 | 0.859 | 0.923 | 47.356 | 6.818 | 6.818 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 492 | LEU | 0 | 0.027 | 0.009 | 45.967 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 493 | ASN | 0 | -0.008 | -0.012 | 49.889 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 494 | ASN | 0 | 0.000 | -0.006 | 53.144 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 495 | GLU | -1 | -0.855 | -0.879 | 48.978 | -6.561 | -6.561 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 496 | TYR | 0 | -0.006 | -0.046 | 48.613 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 497 | LEU | 0 | 0.010 | 0.011 | 54.834 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 498 | GLU | -1 | -0.940 | -0.988 | 58.097 | -5.331 | -5.331 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 499 | LEU | 0 | -0.054 | 0.009 | 54.865 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 500 | ASN | 0 | -0.055 | -0.040 | 58.363 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 501 | TYR | 0 | -0.009 | -0.023 | 53.914 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 502 | LYS | 1 | 0.864 | 0.923 | 58.963 | 4.993 | 4.993 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 503 | GLU | -1 | -0.802 | -0.874 | 56.260 | -5.880 | -5.880 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 504 | ASP | -1 | -0.869 | -0.938 | 58.296 | -5.226 | -5.226 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 505 | GLU | -1 | -0.829 | -0.877 | 60.915 | -4.994 | -4.994 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 506 | TYR | 0 | 0.004 | -0.004 | 52.884 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 507 | PHE | 0 | 0.045 | 0.004 | 58.557 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 508 | GLU | -1 | -0.812 | -0.888 | 60.811 | -4.968 | -4.968 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 509 | ASN | 0 | -0.018 | -0.020 | 57.173 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 510 | ILE | 0 | 0.015 | 0.011 | 55.527 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 511 | ILE | 0 | -0.014 | 0.001 | 57.696 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 512 | GLN | 0 | -0.027 | -0.014 | 59.735 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 513 | ASN | 0 | 0.075 | 0.048 | 54.200 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 514 | LEU | 0 | -0.031 | 0.010 | 56.767 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 515 | LYS | 1 | 0.949 | 0.986 | 58.572 | 4.965 | 4.965 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 516 | PHE | 0 | -0.011 | 0.008 | 54.778 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 517 | SER | 0 | 0.006 | -0.017 | 54.911 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 518 | GLN | 0 | -0.018 | -0.003 | 56.624 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 519 | SER | 0 | -0.013 | -0.019 | 59.145 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 520 | LYS | 1 | 0.877 | 0.952 | 52.889 | 6.038 | 6.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 521 | GLN | 0 | -0.034 | -0.027 | 54.451 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 522 | LEU | 0 | -0.025 | -0.026 | 57.381 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 523 | LYS | 1 | 0.975 | 0.974 | 60.105 | 5.264 | 5.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 524 | LYS | 1 | 0.866 | 0.940 | 51.915 | 6.201 | 6.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 525 | LEU | 0 | -0.027 | -0.006 | 58.822 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 526 | ARG | 1 | 0.775 | 0.845 | 61.504 | 4.928 | 4.928 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 527 | GLU | -1 | -0.900 | -0.929 | 58.369 | -5.280 | -5.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 528 | LYS | 1 | 0.897 | 0.947 | 55.867 | 5.520 | 5.520 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 529 | VAL | 0 | -0.043 | -0.014 | 50.592 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 530 | ASP | -1 | -0.843 | -0.911 | 49.744 | -6.468 | -6.468 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 531 | LYS | 1 | 0.970 | 0.973 | 46.914 | 6.389 | 6.389 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 532 | ASP | -1 | -0.893 | -0.965 | 45.525 | -7.133 | -7.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 533 | GLU | -1 | -0.840 | -0.904 | 45.081 | -6.599 | -6.599 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 534 | TRP | 0 | -0.024 | -0.018 | 36.836 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 535 | ILE | 0 | -0.016 | -0.017 | 40.962 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 536 | SER | 0 | 0.024 | 0.001 | 39.827 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 537 | GLY | 0 | 0.021 | 0.033 | 40.888 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 538 | ALA | 0 | 0.014 | -0.002 | 36.961 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 539 | ALA | 0 | -0.005 | 0.009 | 36.367 | -0.303 | -0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 540 | VAL | 0 | 0.011 | 0.003 | 36.864 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 541 | VAL | 0 | -0.025 | -0.009 | 32.195 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 542 | ASN | 0 | -0.052 | -0.034 | 34.706 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 543 | ALA | 0 | -0.017 | 0.000 | 33.101 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 544 | PHE | 0 | 0.013 | 0.006 | 35.243 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 545 | TYR | 0 | 0.062 | 0.022 | 37.785 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 546 | SER | 0 | -0.074 | -0.026 | 39.930 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 547 | SER | 0 | 0.050 | 0.008 | 43.574 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 548 | GLY | 0 | 0.030 | 0.027 | 45.506 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 549 | ARG | 1 | 0.801 | 0.887 | 44.900 | 6.872 | 6.872 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 550 | ASN | 0 | 0.025 | 0.027 | 42.038 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 551 | GLN | 0 | 0.000 | 0.012 | 40.152 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 552 | ILE | 0 | 0.013 | 0.020 | 33.786 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 553 | VAL | 0 | -0.028 | -0.030 | 36.471 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 554 | PHE | 0 | 0.047 | 0.018 | 31.407 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 555 | PRO | 0 | 0.023 | 0.022 | 33.376 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 556 | ALA | 0 | 0.033 | 0.009 | 32.121 | -0.316 | -0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 557 | GLY | 0 | 0.001 | 0.016 | 31.377 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 558 | ILE | 0 | -0.046 | -0.008 | 29.861 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 559 | LEU | 0 | -0.079 | -0.026 | 27.775 | -0.474 | -0.474 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 560 | GLN | 0 | 0.011 | -0.002 | 25.787 | -0.371 | -0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 561 | PRO | 0 | -0.017 | -0.004 | 22.017 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 562 | PRO | 0 | 0.016 | 0.011 | 22.371 | 0.354 | 0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 563 | PHE | 0 | 0.019 | 0.013 | 22.192 | -0.761 | -0.761 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 564 | PHE | 0 | 0.031 | -0.005 | 22.134 | -0.452 | -0.452 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 565 | SER | 0 | 0.037 | 0.011 | 19.825 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 566 | ALA | 0 | 0.032 | 0.029 | 19.395 | -0.673 | -0.673 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 567 | GLN | 0 | -0.003 | -0.002 | 16.655 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 568 | GLN | 0 | -0.111 | -0.047 | 15.248 | -1.758 | -1.758 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 569 | SER | 0 | -0.036 | -0.030 | 11.695 | -0.536 | -0.536 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 570 | ASN | 0 | 0.030 | -0.009 | 13.881 | 2.348 | 2.348 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 571 | SER | 0 | -0.006 | 0.014 | 14.603 | 0.412 | 0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 572 | LEU | 0 | -0.071 | -0.035 | 15.394 | 0.883 | 0.883 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 573 | ASN | 0 | 0.073 | 0.047 | 18.213 | 1.349 | 1.349 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 574 | TYR | 0 | -0.023 | -0.050 | 18.470 | 0.428 | 0.428 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 575 | GLY | 0 | 0.002 | -0.004 | 20.305 | 0.678 | 0.678 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 576 | GLY | 0 | 0.007 | -0.002 | 21.980 | 0.508 | 0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 577 | ILE | 0 | 0.008 | -0.009 | 23.619 | 0.497 | 0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 578 | GLY | 0 | 0.001 | 0.004 | 24.094 | 0.442 | 0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 579 | MET | 0 | -0.045 | 0.009 | 25.234 | 0.423 | 0.423 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 580 | VAL | 0 | 0.037 | 0.004 | 27.065 | 0.479 | 0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 581 | ILE | 0 | -0.012 | -0.005 | 26.838 | 0.414 | 0.414 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 582 | GLY | 0 | 0.055 | 0.025 | 29.164 | 0.348 | 0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 583 | HIS | 0 | -0.058 | -0.006 | 30.727 | 0.523 | 0.523 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 584 | GLU | -1 | -0.831 | -0.946 | 33.045 | -8.664 | -8.664 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 585 | ILE | 0 | -0.030 | -0.017 | 31.732 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 586 | THR | 0 | -0.022 | -0.019 | 33.677 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 587 | HIS | 1 | 0.829 | 0.905 | 36.306 | 8.694 | 8.694 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 588 | GLY | 0 | -0.005 | 0.013 | 38.709 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 589 | PHE | 0 | -0.064 | -0.041 | 38.095 | 0.278 | 0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 590 | ASP | -1 | -0.759 | -0.837 | 40.318 | -7.734 | -7.734 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 591 | ASP | -1 | -0.863 | -0.962 | 41.858 | -7.123 | -7.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 592 | ASN | 0 | 0.051 | 0.021 | 45.046 | 0.344 | 0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 593 | GLY | 0 | 0.037 | 0.009 | 43.548 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 594 | ARG | 1 | 0.894 | 0.959 | 44.146 | 6.846 | 6.846 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 595 | ASN | 0 | -0.106 | -0.055 | 45.259 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 596 | PHE | 0 | 0.006 | 0.000 | 46.809 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 597 | ASN | 0 | 0.024 | 0.022 | 46.648 | -0.261 | -0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 598 | LYS | 1 | 0.871 | 0.923 | 44.827 | 6.684 | 6.684 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 599 | ASP | -1 | -0.914 | -0.962 | 45.320 | -6.749 | -6.749 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 600 | GLY | 0 | -0.009 | 0.010 | 47.524 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 601 | ASP | -1 | -0.820 | -0.885 | 48.433 | -6.077 | -6.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 602 | LEU | 0 | -0.067 | -0.036 | 50.889 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 603 | VAL | 0 | -0.034 | -0.034 | 51.782 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 604 | ASP | -1 | -0.836 | -0.927 | 51.392 | -6.381 | -6.381 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 605 | TRP | 0 | -0.050 | -0.031 | 43.242 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 606 | TRP | 0 | -0.032 | -0.026 | 42.978 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 607 | THR | 0 | 0.002 | -0.017 | 49.657 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 608 | GLN | 0 | 0.026 | -0.009 | 51.057 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 609 | GLN | 0 | -0.015 | -0.005 | 49.967 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 610 | SER | 0 | 0.034 | -0.011 | 46.612 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 611 | ALA | 0 | -0.006 | -0.005 | 47.013 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 612 | SER | 0 | -0.026 | -0.006 | 49.220 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 613 | ASN | 0 | 0.015 | -0.002 | 45.575 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 614 | PHE | 0 | 0.015 | 0.016 | 42.105 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 615 | LYS | 1 | 0.939 | 0.979 | 44.667 | 6.175 | 6.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 616 | GLU | -1 | -0.921 | -0.957 | 46.418 | -6.744 | -6.744 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 617 | GLN | 0 | -0.060 | -0.045 | 39.838 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 618 | SER | 0 | -0.013 | -0.018 | 41.467 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 619 | GLN | 0 | 0.006 | 0.002 | 43.017 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 620 | CYS | 0 | -0.067 | -0.017 | 35.397 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 621 | MET | 0 | 0.003 | 0.003 | 36.042 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 622 | VAL | 0 | -0.004 | 0.014 | 40.630 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 623 | TYR | 0 | -0.012 | -0.015 | 43.943 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 624 | GLN | 0 | 0.013 | 0.028 | 34.823 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 625 | TYR | 0 | 0.007 | -0.008 | 34.358 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 626 | GLY | 0 | 0.023 | 0.016 | 40.495 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 627 | ASN | 0 | -0.092 | -0.056 | 42.205 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 628 | PHE | 0 | -0.044 | -0.013 | 35.756 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 629 | SER | 0 | 0.013 | 0.015 | 41.088 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 630 | TRP | 0 | 0.015 | -0.017 | 39.400 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 631 | ASP | -1 | -0.865 | -0.934 | 39.831 | -8.047 | -8.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 632 | LEU | 0 | -0.032 | -0.020 | 38.752 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 633 | ALA | 0 | 0.005 | 0.010 | 43.106 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 634 | GLY | 0 | -0.001 | 0.000 | 45.814 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 635 | GLY | 0 | -0.041 | -0.023 | 45.284 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 636 | GLN | 0 | -0.033 | -0.023 | 46.327 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 637 | HIS | 0 | 0.024 | 0.017 | 44.544 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 638 | LEU | 0 | -0.015 | 0.000 | 39.562 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 639 | ASN | 0 | 0.015 | 0.005 | 44.253 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 640 | GLY | 0 | 0.040 | 0.028 | 43.627 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 641 | ILE | 0 | -0.009 | 0.000 | 44.469 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 642 | ASN | 0 | -0.016 | -0.035 | 46.182 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 643 | THR | 0 | -0.019 | -0.013 | 41.055 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 644 | LEU | 0 | -0.044 | 0.003 | 41.113 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 645 | GLY | 0 | 0.079 | 0.021 | 40.714 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 646 | GLU | -1 | -0.846 | -0.934 | 38.125 | -8.669 | -8.669 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 647 | ASN | 0 | 0.037 | 0.044 | 36.644 | -0.452 | -0.452 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 648 | ILE | 0 | 0.023 | 0.006 | 35.901 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 649 | ALA | 0 | 0.008 | 0.009 | 35.583 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 650 | ASP | -1 | -0.795 | -0.867 | 32.265 | -10.043 | -10.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 651 | ASN | 0 | -0.034 | -0.037 | 31.014 | -0.558 | -0.558 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 652 | GLY | 0 | 0.025 | 0.021 | 31.123 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 653 | GLY | 0 | 0.025 | 0.025 | 30.365 | -0.301 | -0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 654 | LEU | 0 | 0.007 | -0.008 | 24.328 | -0.525 | -0.525 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 655 | GLY | 0 | 0.029 | 0.009 | 25.955 | -0.550 | -0.550 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 656 | GLN | 0 | -0.033 | -0.025 | 26.924 | -0.383 | -0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 657 | ALA | 0 | 0.031 | 0.020 | 23.953 | -0.373 | -0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 658 | TYR | 0 | -0.008 | -0.011 | 19.531 | -1.192 | -1.192 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 659 | ARG | 1 | 0.906 | 0.953 | 21.982 | 10.314 | 10.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 660 | ALA | 0 | 0.009 | 0.016 | 23.290 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 661 | TYR | 0 | -0.030 | -0.042 | 13.481 | -0.894 | -0.894 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 662 | GLN | 0 | -0.013 | -0.017 | 18.159 | -0.502 | -0.502 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 663 | ASN | 0 | -0.006 | -0.010 | 19.387 | -0.579 | -0.579 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 664 | TYR | 0 | 0.006 | 0.015 | 13.465 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 665 | ILE | 0 | -0.004 | -0.006 | 13.556 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 666 | LYS | 1 | 0.872 | 0.942 | 15.526 | 13.121 | 13.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 667 | LYS | 1 | 0.934 | 0.983 | 18.248 | 14.059 | 14.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 668 | ASN | 0 | -0.043 | -0.029 | 14.976 | 0.737 | 0.737 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 669 | GLY | 0 | 0.004 | 0.018 | 12.002 | -1.266 | -1.266 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 670 | GLU | -1 | -0.907 | -0.964 | 8.903 | -25.511 | -25.511 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 671 | GLU | -1 | -0.745 | -0.843 | 8.661 | -25.794 | -25.794 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | A | 674 | LEU | 0 | 0.044 | 0.023 | 6.868 | -3.205 | -3.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | A | 675 | PRO | 0 | -0.038 | -0.023 | 8.514 | -1.510 | -1.510 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | A | 676 | GLY | 0 | 0.021 | 0.004 | 9.393 | 2.629 | 2.629 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | A | 677 | LEU | 0 | -0.007 | 0.000 | 10.787 | 2.302 | 2.302 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | A | 678 | ASP | -1 | -0.928 | -0.942 | 10.419 | -29.413 | -29.413 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | A | 679 | LEU | 0 | -0.027 | -0.018 | 11.035 | 1.776 | 1.776 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | A | 680 | ASN | 0 | -0.010 | -0.005 | 10.379 | -2.213 | -2.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | A | 681 | HIS | 1 | 0.897 | 0.901 | 8.809 | 30.808 | 30.808 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | A | 682 | LYS | 1 | 0.933 | 0.982 | 12.987 | 18.650 | 18.650 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | A | 683 | GLN | 0 | 0.033 | 0.008 | 14.379 | -0.471 | -0.471 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | A | 684 | LEU | 0 | -0.020 | -0.016 | 11.628 | 0.955 | 0.955 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | A | 685 | PHE | 0 | -0.027 | 0.011 | 15.983 | 0.649 | 0.649 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | A | 686 | PHE | 0 | 0.040 | 0.014 | 18.626 | 0.676 | 0.676 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | A | 687 | LEU | 0 | 0.004 | 0.003 | 17.403 | 0.700 | 0.700 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | A | 688 | ASN | 0 | -0.035 | -0.019 | 19.284 | 0.368 | 0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | A | 689 | PHE | 0 | 0.064 | 0.037 | 21.209 | 0.538 | 0.538 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | A | 690 | ALA | 0 | 0.001 | -0.012 | 23.766 | 0.574 | 0.574 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | A | 691 | GLN | 0 | -0.019 | -0.043 | 21.273 | 0.249 | 0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | A | 692 | VAL | 0 | -0.031 | 0.009 | 24.957 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | A | 693 | TRP | 0 | 0.009 | 0.000 | 27.078 | 0.670 | 0.670 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | A | 695 | GLY | 0 | 0.053 | 0.012 | 29.622 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | A | 696 | THR | 0 | -0.064 | -0.027 | 33.143 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | A | 697 | TYR | 0 | 0.065 | 0.018 | 36.492 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | A | 698 | ARG | 1 | 0.828 | 0.921 | 40.223 | 7.440 | 7.440 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | A | 699 | PRO | 0 | 0.038 | 0.011 | 43.575 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | A | 700 | GLU | -1 | -0.845 | -0.933 | 45.855 | -6.783 | -6.783 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | A | 701 | TYR | 0 | -0.013 | -0.007 | 41.699 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | A | 702 | ALA | 0 | -0.013 | 0.026 | 43.184 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | A | 703 | VAL | 0 | -0.018 | -0.015 | 44.632 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | A | 704 | ASN | 0 | -0.047 | -0.011 | 47.421 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | A | 705 | SER | 0 | 0.006 | -0.028 | 43.163 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | A | 706 | ILE | 0 | -0.042 | -0.015 | 44.421 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | A | 707 | LYS | 1 | 0.831 | 0.926 | 45.730 | 6.512 | 6.512 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | A | 708 | THR | 0 | -0.042 | -0.027 | 47.474 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | A | 709 | ASP | -1 | -0.879 | -0.931 | 40.856 | -8.104 | -8.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | A | 710 | VAL | 0 | 0.030 | 0.019 | 42.001 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | A | 711 | HIS | 1 | 0.741 | 0.858 | 37.765 | 8.153 | 8.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | A | 712 | SER | 0 | 0.037 | 0.001 | 37.257 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | A | 713 | PRO | 0 | 0.010 | 0.004 | 37.179 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | A | 714 | GLY | 0 | 0.031 | 0.019 | 33.381 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | A | 715 | ASN | 0 | 0.013 | -0.002 | 31.981 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | A | 716 | PHE | 0 | 0.023 | -0.001 | 32.631 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 660 | A | 717 | ARG | 1 | 0.802 | 0.897 | 32.423 | 9.475 | 9.475 | 0.000 | 0.000 | 0.000 | 0.000 |
| 661 | A | 718 | ILE | 0 | -0.027 | 0.003 | 27.411 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 662 | A | 719 | ILE | 0 | -0.027 | -0.020 | 29.815 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 663 | A | 720 | GLY | 0 | 0.022 | 0.015 | 31.656 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 664 | A | 721 | THR | 0 | -0.010 | -0.016 | 29.008 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 665 | A | 722 | LEU | 0 | -0.050 | -0.029 | 25.143 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
| 666 | A | 723 | GLN | 0 | -0.036 | -0.018 | 28.391 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 667 | A | 724 | ASN | 0 | 0.003 | -0.019 | 31.145 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 668 | A | 725 | SER | 0 | -0.031 | -0.007 | 26.185 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 669 | A | 726 | ALA | 0 | 0.019 | 0.001 | 27.476 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 670 | A | 727 | GLU | -1 | -0.831 | -0.911 | 22.940 | -12.357 | -12.357 | 0.000 | 0.000 | 0.000 | 0.000 |
| 671 | A | 728 | PHE | 0 | 0.013 | 0.000 | 22.067 | -0.850 | -0.850 | 0.000 | 0.000 | 0.000 | 0.000 |
| 672 | A | 729 | SER | 0 | -0.003 | -0.013 | 22.512 | -0.388 | -0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
| 673 | A | 730 | GLU | -1 | -0.928 | -0.957 | 20.627 | -15.127 | -15.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 674 | A | 731 | ALA | 0 | -0.056 | -0.023 | 18.323 | -0.745 | -0.745 | 0.000 | 0.000 | 0.000 | 0.000 |
| 675 | A | 732 | PHE | 0 | -0.014 | -0.026 | 18.102 | -1.224 | -1.224 | 0.000 | 0.000 | 0.000 | 0.000 |
| 676 | A | 733 | HIS | 0 | -0.009 | 0.007 | 16.718 | 0.460 | 0.460 | 0.000 | 0.000 | 0.000 | 0.000 |
| 677 | A | 735 | ARG | 1 | 0.978 | 0.985 | 25.561 | 10.962 | 10.962 | 0.000 | 0.000 | 0.000 | 0.000 |
| 678 | A | 736 | LYS | 1 | 1.019 | 1.011 | 28.603 | 10.668 | 10.668 | 0.000 | 0.000 | 0.000 | 0.000 |
| 679 | A | 737 | ASN | 0 | -0.019 | -0.012 | 31.602 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 680 | A | 738 | SER | 0 | -0.036 | -0.010 | 29.412 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 681 | A | 739 | TYR | 0 | 0.036 | 0.009 | 31.755 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 682 | A | 740 | MET | 0 | -0.003 | 0.028 | 27.658 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
| 683 | A | 741 | ASN | 0 | -0.033 | -0.011 | 28.213 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 684 | A | 742 | PRO | 0 | 0.007 | 0.016 | 30.349 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 685 | A | 743 | GLU | -1 | -0.971 | -0.993 | 33.451 | -8.697 | -8.697 | 0.000 | 0.000 | 0.000 | 0.000 |
| 686 | A | 744 | LYS | 1 | 0.959 | 0.984 | 35.176 | 7.714 | 7.714 | 0.000 | 0.000 | 0.000 | 0.000 |
| 687 | A | 745 | LYS | 1 | 0.814 | 0.903 | 29.972 | 10.282 | 10.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 688 | A | 747 | ARG | 1 | 0.854 | 0.890 | 32.871 | 9.455 | 9.455 | 0.000 | 0.000 | 0.000 | 0.000 |
| 689 | A | 748 | VAL | 0 | 0.010 | 0.019 | 36.319 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 690 | A | 749 | TRP | -1 | -0.713 | -0.849 | 33.350 | -9.816 | -9.816 | 0.000 | 0.000 | 0.000 | 0.000 |