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: 1Y3LZ
Calculation Name: 4XAJ-B-Xray547
Preferred Name:
Target Type:
Ligand Name: alpha-d-glucopyranose
Ligand 3-letter code: GLC
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 4XAJ
Chain ID: B
UniProt ID: P0AEY0
Base Structure: X-ray
Registration Date: 2025-10-04
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 | 575 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -11720511.862288 |
|---|---|
| FMO2-HF: Nuclear repulsion | 11499931.71728 |
| FMO2-HF: Total energy | -220580.145008 |
| FMO2-MP2: Total energy | -221229.720759 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:1:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
| 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. |
| -154.153 | -147.104 | 1.697 | -4.643 | -4.103 | -0.063 |
Interaction energy analysis for fragmet #1(A:1:MET)
| 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 | 3 | LYS | 1 | 0.868 | 0.952 | 3.806 | 56.085 | 57.518 | -0.014 | -0.463 | -0.956 | -0.002 |
| 55 | A | 55 | THR | 0 | -0.092 | -0.063 | 2.977 | -1.101 | -0.437 | 0.038 | -0.205 | -0.497 | -0.002 |
| 56 | A | 56 | GLY | 0 | -0.014 | -0.015 | 2.207 | -39.781 | -34.764 | 1.674 | -3.951 | -2.740 | -0.059 |
| 57 | A | 57 | ASP | -1 | -0.821 | -0.900 | 4.763 | -62.262 | -62.327 | -0.001 | -0.024 | 0.090 | 0.000 |
| 4 | A | 4 | ILE | 0 | 0.007 | 0.017 | 6.655 | 3.564 | 3.564 | 0.000 | 0.000 | 0.000 | 0.000 |
| 5 | A | 5 | GLU | -1 | -0.869 | -0.918 | 9.450 | -19.466 | -19.466 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 6 | GLU | -1 | -0.914 | -0.958 | 12.301 | -19.906 | -19.906 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 7 | GLY | 0 | 0.003 | -0.001 | 14.531 | 0.653 | 0.653 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 8 | LYS | 1 | 0.772 | 0.872 | 17.365 | 18.395 | 18.395 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 9 | LEU | 0 | -0.005 | 0.014 | 17.739 | -0.727 | -0.727 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 10 | VAL | 0 | -0.009 | 0.000 | 15.293 | 0.670 | 0.670 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 11 | ILE | 0 | 0.013 | 0.004 | 17.265 | -0.535 | -0.535 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 12 | TRP | 0 | -0.053 | -0.040 | 13.061 | -0.238 | -0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 13 | ILE | 0 | 0.034 | 0.016 | 19.362 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 14 | ASN | 0 | 0.013 | -0.006 | 22.768 | -0.511 | -0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 15 | GLY | 0 | 0.003 | -0.003 | 24.723 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 16 | ASP | -1 | -0.840 | -0.927 | 27.109 | -10.766 | -10.766 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 17 | LYS | 1 | 0.834 | 0.916 | 27.730 | 11.215 | 11.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 18 | GLY | 0 | 0.033 | 0.036 | 29.936 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 19 | TYR | 0 | 0.025 | -0.015 | 26.208 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 20 | ASN | 0 | -0.051 | -0.044 | 27.850 | -0.489 | -0.489 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 21 | GLY | 0 | 0.062 | 0.027 | 30.317 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 22 | LEU | 0 | -0.024 | -0.013 | 24.596 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 23 | ALA | 0 | -0.007 | -0.013 | 26.958 | -0.246 | -0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 24 | GLU | -1 | -0.873 | -0.904 | 27.887 | -9.186 | -9.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 25 | VAL | 0 | 0.017 | 0.013 | 28.913 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 26 | GLY | 0 | 0.018 | 0.000 | 26.593 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 27 | LYS | 1 | 0.796 | 0.872 | 27.219 | 11.360 | 11.360 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 28 | LYS | 1 | 0.821 | 0.909 | 29.746 | 9.387 | 9.387 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 29 | PHE | 0 | 0.056 | 0.019 | 23.513 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 30 | GLU | -1 | -0.829 | -0.885 | 26.325 | -12.024 | -12.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 31 | LYS | 1 | 0.867 | 0.936 | 27.778 | 9.005 | 9.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 32 | ASP | -1 | -0.871 | -0.931 | 31.219 | -9.392 | -9.392 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 33 | THR | 0 | -0.034 | -0.029 | 26.771 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 34 | GLY | 0 | -0.032 | -0.007 | 26.894 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 35 | ILE | 0 | -0.046 | -0.017 | 21.288 | -0.501 | -0.501 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 36 | LYS | 1 | 0.924 | 0.960 | 22.009 | 12.986 | 12.986 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 37 | VAL | 0 | 0.016 | 0.026 | 21.702 | -0.720 | -0.720 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 38 | THR | 0 | -0.036 | -0.008 | 19.471 | 0.678 | 0.678 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 39 | VAL | 0 | -0.008 | -0.003 | 20.596 | -0.620 | -0.620 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 40 | GLU | -1 | -0.896 | -0.937 | 17.515 | -17.885 | -17.885 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 41 | HIS | 1 | 0.891 | 0.942 | 21.477 | 12.786 | 12.786 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 42 | PRO | 0 | 0.015 | 0.011 | 17.361 | 0.516 | 0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 43 | ASP | -1 | -0.885 | -0.930 | 20.107 | -13.304 | -13.304 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 44 | LYS | 1 | 0.950 | 0.957 | 20.275 | 12.772 | 12.772 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 45 | LEU | 0 | 0.031 | 0.026 | 17.607 | -0.802 | -0.802 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 46 | GLU | -1 | -0.878 | -0.939 | 18.001 | -14.344 | -14.344 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 47 | GLU | -1 | -0.845 | -0.905 | 17.015 | -17.595 | -17.595 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 48 | LYS | 1 | 0.859 | 0.930 | 14.811 | 16.396 | 16.396 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 49 | PHE | 0 | 0.051 | 0.028 | 13.161 | -1.879 | -1.879 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 50 | PRO | 0 | 0.011 | 0.003 | 11.895 | -2.100 | -2.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 51 | GLN | 0 | -0.051 | -0.028 | 10.711 | -2.086 | -2.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 52 | VAL | 0 | -0.034 | 0.003 | 8.133 | -2.618 | -2.618 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 53 | ALA | 0 | 0.047 | 0.031 | 6.946 | -5.527 | -5.527 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 54 | ALA | 0 | -0.005 | 0.003 | 7.396 | -2.721 | -2.721 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 58 | GLY | 0 | 0.026 | -0.007 | 6.973 | 3.203 | 3.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 59 | PRO | 0 | -0.027 | 0.001 | 10.789 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 60 | ASP | -1 | -0.708 | -0.824 | 13.223 | -22.528 | -22.528 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 61 | ILE | 0 | -0.019 | -0.005 | 15.306 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 62 | ILE | 0 | -0.020 | 0.003 | 16.504 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 63 | PHE | 0 | 0.033 | 0.000 | 18.483 | 0.646 | 0.646 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 64 | TRP | 0 | -0.022 | -0.012 | 21.796 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 65 | ALA | 0 | 0.063 | 0.038 | 23.710 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 66 | HIS | 0 | -0.010 | -0.026 | 24.779 | -0.667 | -0.667 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 67 | ASP | -1 | -0.818 | -0.925 | 25.219 | -12.524 | -12.524 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 68 | ARG | 1 | 0.811 | 0.881 | 19.141 | 14.962 | 14.962 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 69 | PHE | 0 | -0.035 | 0.005 | 20.191 | -0.870 | -0.870 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 70 | GLY | 0 | 0.074 | 0.019 | 20.175 | -0.663 | -0.663 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 71 | GLY | 0 | 0.002 | 0.002 | 20.229 | -0.300 | -0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 72 | TYR | 0 | -0.011 | -0.016 | 16.171 | -0.705 | -0.705 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 73 | ALA | 0 | 0.010 | 0.008 | 15.827 | -1.187 | -1.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 74 | GLN | 0 | -0.024 | 0.008 | 17.517 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 75 | SER | 0 | -0.055 | -0.037 | 14.088 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 76 | GLY | 0 | -0.023 | -0.006 | 13.077 | -1.771 | -1.771 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 77 | LEU | 0 | -0.018 | -0.011 | 10.490 | -1.178 | -1.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 78 | LEU | 0 | -0.035 | -0.013 | 12.903 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 79 | ALA | 0 | -0.018 | -0.010 | 15.789 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 80 | GLU | -1 | -0.881 | -0.924 | 17.369 | -12.920 | -12.920 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 81 | ILE | 0 | -0.040 | -0.008 | 20.932 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 82 | THR | 0 | 0.012 | 0.004 | 23.062 | 0.559 | 0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 83 | PRO | 0 | 0.030 | 0.038 | 25.598 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 84 | ASP | -1 | -0.830 | -0.913 | 28.842 | -9.404 | -9.404 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 85 | LYS | 1 | 0.856 | 0.898 | 31.987 | 8.183 | 8.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 86 | ALA | 0 | 0.015 | 0.015 | 35.252 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 87 | PHE | 0 | -0.009 | -0.009 | 30.848 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 88 | GLN | 0 | -0.025 | -0.029 | 30.863 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 89 | ASP | -1 | -0.816 | -0.894 | 34.206 | -8.141 | -8.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 90 | LYS | 1 | 0.910 | 0.975 | 34.972 | 9.288 | 9.288 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 91 | LEU | 0 | 0.031 | 0.024 | 31.774 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 92 | TYR | 0 | -0.019 | -0.006 | 36.002 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 93 | PRO | 0 | -0.010 | 0.004 | 35.524 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 94 | PHE | 0 | 0.060 | 0.013 | 34.837 | -0.251 | -0.251 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 95 | THR | 0 | -0.031 | -0.021 | 32.372 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 96 | TRP | 0 | 0.027 | -0.008 | 28.246 | -0.582 | -0.582 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 97 | ASP | -1 | -0.881 | -0.930 | 30.281 | -9.534 | -9.534 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 98 | ALA | 0 | 0.004 | 0.013 | 30.251 | -0.264 | -0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 99 | VAL | 0 | -0.005 | 0.008 | 25.882 | -0.374 | -0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 100 | ARG | 1 | 0.844 | 0.915 | 25.756 | 9.677 | 9.677 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 101 | TYR | 0 | -0.020 | -0.014 | 22.217 | 0.356 | 0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 102 | ASN | 0 | -0.041 | -0.028 | 24.267 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 103 | GLY | 0 | 0.012 | 0.010 | 26.524 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 104 | LYS | 1 | 0.869 | 0.928 | 21.434 | 14.222 | 14.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 105 | LEU | 0 | 0.007 | 0.009 | 25.488 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 106 | ILE | 0 | -0.009 | -0.010 | 20.736 | -0.488 | -0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 107 | ALA | 0 | -0.010 | -0.009 | 21.047 | -0.720 | -0.720 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 108 | TYR | 0 | -0.017 | -0.043 | 23.092 | 0.352 | 0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 109 | PRO | 0 | -0.006 | 0.011 | 26.165 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 110 | ILE | 0 | -0.016 | -0.017 | 26.807 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 111 | ALA | 0 | 0.000 | 0.004 | 30.283 | 0.390 | 0.390 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 112 | VAL | 0 | -0.020 | -0.003 | 31.945 | -0.328 | -0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 113 | GLU | -1 | -0.856 | -0.921 | 30.570 | -10.340 | -10.340 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 114 | ALA | 0 | 0.015 | -0.007 | 34.428 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 115 | LEU | 0 | -0.029 | 0.002 | 35.893 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 116 | SER | 0 | 0.026 | 0.006 | 38.660 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 117 | LEU | 0 | -0.021 | -0.009 | 42.272 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 118 | ILE | 0 | -0.017 | 0.003 | 41.009 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 119 | TYR | 0 | 0.002 | -0.008 | 45.442 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 120 | ASN | 0 | 0.075 | 0.029 | 48.883 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 121 | LYS | 1 | 0.888 | 0.927 | 50.906 | 6.341 | 6.341 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 122 | ASP | -1 | -0.841 | -0.905 | 54.107 | -5.802 | -5.802 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 123 | LEU | 0 | -0.109 | -0.051 | 51.987 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 124 | LEU | 0 | -0.041 | -0.025 | 52.138 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 125 | PRO | 0 | 0.018 | 0.010 | 55.017 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 126 | ASN | 0 | -0.059 | -0.029 | 56.614 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 127 | PRO | 0 | 0.007 | 0.022 | 51.873 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 128 | PRO | 0 | -0.003 | 0.003 | 51.450 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 129 | LYS | 1 | 0.955 | 0.959 | 52.353 | 5.624 | 5.624 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 130 | THR | 0 | -0.092 | -0.037 | 52.402 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 131 | TRP | 0 | 0.051 | -0.002 | 43.916 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 132 | GLU | -1 | -0.798 | -0.913 | 50.803 | -6.182 | -6.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 133 | GLU | -1 | -0.811 | -0.875 | 54.099 | -5.767 | -5.767 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 134 | ILE | 0 | 0.018 | 0.013 | 49.338 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 135 | PRO | 0 | -0.032 | -0.028 | 52.358 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 136 | ALA | 0 | -0.031 | -0.005 | 54.361 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 137 | LEU | 0 | 0.064 | 0.030 | 53.609 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 138 | ASP | -1 | -0.738 | -0.848 | 52.169 | -6.232 | -6.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 139 | LYS | 1 | 0.923 | 0.971 | 54.617 | 5.459 | 5.459 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 140 | GLU | -1 | -0.926 | -0.965 | 57.877 | -5.254 | -5.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 141 | LEU | 0 | -0.012 | -0.008 | 53.402 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 142 | LYS | 1 | 0.808 | 0.898 | 51.054 | 6.281 | 6.281 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 143 | ALA | 0 | -0.062 | -0.023 | 56.409 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 144 | LYS | 1 | 0.925 | 0.966 | 57.788 | 5.508 | 5.508 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 145 | GLY | 0 | -0.010 | 0.006 | 56.124 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 146 | LYS | 1 | 0.830 | 0.919 | 52.665 | 6.040 | 6.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 147 | SER | 0 | 0.037 | 0.010 | 48.345 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 148 | ALA | 0 | 0.011 | -0.001 | 51.131 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 149 | LEU | 0 | -0.029 | -0.012 | 44.907 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 150 | MET | 0 | -0.027 | 0.006 | 43.417 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 151 | PHE | 0 | 0.050 | 0.012 | 39.093 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 152 | ASN | 0 | 0.014 | 0.011 | 32.748 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 153 | LEU | 0 | -0.005 | -0.008 | 37.187 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 154 | GLN | 0 | -0.036 | -0.027 | 32.906 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 155 | GLU | -1 | -0.829 | -0.904 | 28.792 | -11.545 | -11.545 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 156 | PRO | 0 | -0.013 | 0.007 | 30.795 | 0.322 | 0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 157 | TYR | 0 | -0.026 | -0.018 | 31.561 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 158 | PHE | 0 | 0.013 | -0.009 | 32.488 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 159 | THR | 0 | -0.004 | -0.001 | 36.735 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 160 | TRP | 0 | 0.030 | 0.021 | 35.903 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 161 | PRO | 0 | -0.007 | 0.000 | 38.044 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 162 | LEU | 0 | -0.009 | 0.006 | 40.781 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 163 | ILE | 0 | -0.035 | -0.003 | 38.357 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 164 | ALA | 0 | 0.049 | 0.015 | 39.583 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 165 | ALA | 0 | -0.059 | -0.010 | 41.676 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 166 | ASP | -1 | -0.810 | -0.913 | 45.172 | -6.408 | -6.408 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 167 | GLY | 0 | 0.061 | 0.025 | 44.930 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 168 | GLY | 0 | 0.017 | 0.041 | 41.069 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 169 | TYR | 0 | -0.096 | -0.071 | 37.458 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 170 | ALA | 0 | 0.017 | 0.020 | 32.580 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 171 | PHE | 0 | 0.012 | -0.015 | 29.382 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 172 | LYS | 1 | 0.836 | 0.948 | 34.626 | 8.094 | 8.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 173 | TYR | 0 | -0.012 | -0.007 | 35.024 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 174 | GLU | -1 | -0.872 | -0.953 | 37.612 | -7.380 | -7.380 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 175 | ASN | 0 | -0.056 | -0.040 | 38.383 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 176 | GLY | 0 | 0.031 | 0.024 | 37.102 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 177 | LYS | 1 | 0.943 | 0.985 | 33.333 | 8.544 | 8.544 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 178 | TYR | 0 | 0.055 | 0.011 | 31.196 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 179 | ASP | -1 | -0.888 | -0.948 | 32.863 | -8.959 | -8.959 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 180 | ILE | 0 | -0.005 | -0.017 | 28.956 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 181 | LYS | 1 | 0.883 | 0.932 | 31.982 | 8.983 | 8.983 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 182 | ASP | -1 | -0.784 | -0.852 | 34.760 | -7.861 | -7.861 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 183 | VAL | 0 | 0.033 | 0.019 | 33.427 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 184 | GLY | 0 | 0.011 | 0.011 | 36.433 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 185 | VAL | 0 | -0.001 | -0.020 | 34.986 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 186 | ASP | -1 | -0.881 | -0.939 | 38.446 | -7.764 | -7.764 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 187 | ASN | 0 | -0.021 | -0.019 | 41.278 | 0.319 | 0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 188 | ALA | 0 | 0.014 | -0.013 | 44.047 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 189 | GLY | 0 | -0.008 | 0.003 | 46.201 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 190 | ALA | 0 | 0.019 | 0.006 | 40.953 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 191 | LYS | 1 | 0.864 | 0.933 | 42.974 | 7.057 | 7.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 192 | ALA | 0 | -0.025 | 0.011 | 44.834 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 193 | GLY | 0 | 0.036 | 0.012 | 44.491 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 194 | LEU | 0 | 0.006 | -0.003 | 39.620 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 195 | THR | 0 | -0.033 | -0.034 | 43.314 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 196 | PHE | 0 | 0.012 | 0.012 | 46.757 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 197 | LEU | 0 | 0.027 | 0.012 | 40.798 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 198 | VAL | 0 | 0.041 | 0.014 | 43.797 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 199 | ASP | -1 | -0.868 | -0.935 | 46.077 | -6.296 | -6.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 200 | LEU | 0 | -0.036 | -0.025 | 46.719 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 201 | ILE | 0 | 0.001 | 0.020 | 43.002 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 202 | LYS | 1 | 0.869 | 0.934 | 47.458 | 6.577 | 6.577 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 203 | ASN | 0 | -0.108 | -0.054 | 50.185 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 204 | LYS | 1 | 0.923 | 0.962 | 50.108 | 6.262 | 6.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 205 | HIS | 1 | 0.822 | 0.901 | 50.135 | 6.187 | 6.187 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 206 | MET | 0 | 0.007 | 0.014 | 42.761 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 207 | ASN | 0 | -0.028 | -0.029 | 43.706 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 208 | ALA | 0 | 0.067 | 0.038 | 41.313 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 209 | ASP | -1 | -0.863 | -0.918 | 39.231 | -8.015 | -8.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 210 | THR | 0 | -0.085 | -0.045 | 38.569 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 211 | ASP | -1 | -0.797 | -0.887 | 34.421 | -9.243 | -9.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 212 | TYR | 0 | -0.035 | -0.024 | 33.655 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 213 | SER | 0 | 0.010 | 0.015 | 34.975 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 214 | ILE | 0 | -0.010 | -0.014 | 36.762 | 0.264 | 0.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 215 | ALA | 0 | -0.017 | 0.002 | 39.208 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 216 | GLU | -1 | -0.857 | -0.915 | 36.736 | -8.673 | -8.673 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 217 | ALA | 0 | -0.014 | -0.009 | 40.116 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 218 | ALA | 0 | 0.032 | 0.014 | 42.041 | 0.202 | 0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 219 | PHE | 0 | -0.041 | -0.014 | 43.412 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 220 | ASN | 0 | 0.075 | 0.022 | 40.694 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 221 | LYS | 1 | 0.911 | 0.982 | 44.290 | 7.342 | 7.342 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 222 | GLY | 0 | 0.000 | 0.014 | 47.586 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 223 | GLU | -1 | -0.951 | -0.977 | 46.617 | -6.793 | -6.793 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 224 | THR | 0 | -0.025 | -0.034 | 45.691 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 225 | ALA | 0 | -0.006 | -0.005 | 48.951 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 226 | MET | 0 | -0.025 | -0.015 | 47.378 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 227 | THR | 0 | -0.002 | -0.019 | 41.769 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 228 | ILE | 0 | 0.007 | 0.007 | 39.550 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 229 | ASN | 0 | 0.023 | -0.010 | 36.309 | -0.391 | -0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 230 | GLY | 0 | 0.058 | 0.024 | 35.707 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 231 | PRO | 0 | 0.003 | -0.004 | 35.569 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 232 | TRP | 0 | 0.069 | 0.045 | 33.025 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 233 | ALA | 0 | -0.023 | -0.013 | 35.346 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 234 | TRP | 0 | 0.002 | -0.012 | 37.518 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 235 | SER | 0 | 0.015 | 0.018 | 37.351 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 236 | ASN | 0 | -0.034 | -0.039 | 35.839 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 237 | ILE | 0 | -0.046 | -0.009 | 39.773 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 238 | ASP | -1 | -0.781 | -0.860 | 42.774 | -7.223 | -7.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 239 | THR | 0 | -0.105 | -0.043 | 41.069 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 240 | SER | 0 | -0.060 | -0.047 | 44.074 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 241 | LYS | 1 | 0.906 | 0.940 | 46.502 | 6.393 | 6.393 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 242 | VAL | 0 | -0.010 | 0.010 | 47.893 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 243 | ASN | 0 | -0.014 | -0.012 | 49.298 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 244 | TYR | 0 | -0.044 | -0.054 | 44.644 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 245 | GLY | 0 | -0.022 | -0.001 | 49.321 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 246 | VAL | 0 | 0.004 | 0.003 | 43.483 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 247 | THR | 0 | -0.018 | -0.018 | 46.494 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 248 | VAL | 0 | 0.032 | 0.014 | 46.023 | -0.178 | -0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 249 | LEU | 0 | -0.004 | -0.009 | 41.325 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 250 | PRO | 0 | 0.001 | 0.012 | 46.044 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 251 | THR | 0 | -0.037 | -0.021 | 47.907 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 252 | PHE | 0 | 0.017 | 0.006 | 47.556 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 253 | LYS | 1 | 0.794 | 0.875 | 50.065 | 6.338 | 6.338 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 254 | GLY | 0 | -0.009 | 0.005 | 53.024 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 255 | GLN | 0 | -0.038 | -0.012 | 49.024 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 256 | PRO | 0 | 0.015 | 0.003 | 46.961 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 257 | SER | 0 | 0.013 | -0.016 | 43.655 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 258 | LYS | 1 | 0.924 | 0.974 | 41.511 | 7.225 | 7.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 259 | PRO | 0 | 0.003 | 0.005 | 38.059 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 260 | PHE | 0 | 0.007 | -0.005 | 33.419 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 261 | VAL | 0 | -0.015 | -0.002 | 35.022 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 262 | GLY | 0 | 0.027 | -0.005 | 31.059 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 263 | VAL | 0 | -0.001 | -0.004 | 29.667 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 264 | LEU | 0 | 0.005 | 0.027 | 26.541 | -0.545 | -0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 265 | SER | 0 | 0.010 | -0.032 | 25.019 | 0.382 | 0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 266 | ALA | 0 | 0.021 | 0.010 | 22.486 | -0.439 | -0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 267 | GLY | 0 | 0.026 | 0.015 | 19.598 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 268 | ILE | 0 | 0.001 | 0.004 | 16.474 | -0.491 | -0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 269 | ASN | 0 | 0.000 | -0.008 | 10.191 | -0.582 | -0.582 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 270 | ALA | 0 | 0.005 | -0.003 | 11.579 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 271 | ALA | 0 | -0.014 | -0.008 | 7.823 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 272 | SER | 0 | -0.064 | -0.043 | 9.544 | -0.511 | -0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 273 | PRO | 0 | 0.032 | 0.027 | 11.019 | 0.793 | 0.793 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 274 | ASN | 0 | -0.009 | -0.031 | 13.273 | 2.240 | 2.240 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 275 | LYS | 1 | 0.818 | 0.891 | 12.639 | 23.606 | 23.606 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 276 | GLU | -1 | -0.859 | -0.941 | 17.899 | -13.481 | -13.481 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 277 | LEU | 0 | 0.000 | 0.006 | 19.442 | 0.689 | 0.689 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 278 | ALA | 0 | 0.010 | -0.006 | 19.059 | 0.498 | 0.498 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 279 | LYS | 1 | 0.883 | 0.947 | 21.129 | 12.628 | 12.628 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 280 | GLU | -1 | -0.870 | -0.911 | 23.629 | -10.587 | -10.587 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 281 | PHE | 0 | -0.009 | -0.017 | 23.855 | 0.448 | 0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 282 | LEU | 0 | -0.015 | -0.016 | 22.257 | 0.417 | 0.417 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 283 | GLU | -1 | -0.829 | -0.908 | 26.395 | -11.123 | -11.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 284 | ASN | 0 | -0.046 | -0.047 | 29.075 | 0.614 | 0.614 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 285 | TYR | 0 | -0.071 | -0.035 | 28.811 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 286 | LEU | 0 | -0.026 | -0.004 | 26.775 | 0.295 | 0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 287 | LEU | 0 | -0.039 | -0.014 | 29.086 | 0.321 | 0.321 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 288 | THR | 0 | -0.003 | -0.015 | 31.947 | 0.371 | 0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 289 | ASP | -1 | -0.780 | -0.891 | 35.105 | -8.313 | -8.313 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 290 | GLU | -1 | -0.835 | -0.893 | 36.229 | -8.879 | -8.879 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 291 | GLY | 0 | -0.007 | -0.003 | 32.791 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 292 | LEU | 0 | 0.008 | -0.015 | 31.902 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 293 | GLU | -1 | -0.937 | -0.963 | 34.318 | -7.971 | -7.971 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 294 | ALA | 0 | -0.035 | -0.021 | 33.403 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 295 | VAL | 0 | -0.026 | -0.011 | 30.033 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 296 | ASN | 0 | 0.012 | -0.003 | 32.821 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 297 | LYS | 1 | 0.840 | 0.909 | 35.960 | 8.960 | 8.960 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 298 | ASP | -1 | -0.856 | -0.889 | 32.058 | -9.968 | -9.968 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 299 | LYS | 1 | 0.870 | 0.930 | 31.156 | 10.287 | 10.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 300 | PRO | 0 | -0.012 | 0.007 | 34.443 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 301 | LEU | 0 | 0.015 | -0.008 | 31.346 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 302 | GLY | 0 | -0.029 | -0.006 | 34.542 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 303 | ALA | 0 | 0.022 | 0.019 | 37.305 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 304 | VAL | 0 | -0.021 | -0.015 | 35.122 | -0.336 | -0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 305 | ALA | 0 | -0.019 | -0.021 | 32.770 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 306 | LEU | 0 | -0.050 | -0.014 | 34.769 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 307 | LYS | 1 | 0.867 | 0.908 | 36.284 | 8.262 | 8.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 308 | SER | 0 | -0.082 | -0.052 | 39.935 | 0.227 | 0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 309 | TYR | 0 | 0.083 | 0.034 | 38.081 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 310 | GLU | -1 | -0.791 | -0.899 | 39.482 | -7.900 | -7.900 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 311 | GLU | -1 | -0.937 | -0.967 | 41.288 | -7.045 | -7.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 312 | GLU | -1 | -0.884 | -0.916 | 43.734 | -6.595 | -6.595 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 313 | LEU | 0 | -0.002 | -0.011 | 38.818 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 314 | ALA | 0 | 0.001 | -0.002 | 43.374 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 315 | LYS | 1 | 0.771 | 0.879 | 45.349 | 6.827 | 6.827 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 316 | ASP | -1 | -0.811 | -0.873 | 44.744 | -7.086 | -7.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 317 | PRO | 0 | -0.003 | -0.014 | 46.364 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 318 | ARG | 1 | 0.790 | 0.867 | 43.628 | 7.383 | 7.383 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 319 | ILE | 0 | 0.017 | 0.035 | 40.285 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 320 | ALA | 0 | 0.037 | 0.017 | 43.204 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 321 | ALA | 0 | -0.023 | -0.009 | 45.427 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 322 | THR | 0 | -0.015 | -0.023 | 38.852 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 323 | MET | 0 | 0.020 | 0.009 | 40.408 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 324 | GLU | -1 | -0.901 | -0.947 | 42.941 | -6.630 | -6.630 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 325 | ASN | 0 | -0.031 | -0.016 | 41.901 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 326 | ALA | 0 | 0.002 | -0.010 | 39.202 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 327 | GLN | 0 | -0.042 | -0.025 | 40.584 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 328 | LYS | 1 | 0.809 | 0.914 | 43.304 | 6.879 | 6.879 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 329 | GLY | 0 | -0.002 | 0.006 | 40.000 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 330 | GLU | -1 | -0.858 | -0.896 | 37.606 | -8.012 | -8.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 331 | ILE | 0 | 0.006 | 0.006 | 32.814 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 332 | MET | 0 | -0.046 | 0.005 | 29.515 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 333 | PRO | 0 | 0.021 | 0.011 | 29.505 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 334 | ASN | 0 | -0.020 | -0.015 | 25.547 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 335 | ILE | 0 | -0.018 | 0.005 | 24.578 | -0.585 | -0.585 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 336 | PRO | 0 | 0.081 | 0.023 | 21.247 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 337 | GLN | 0 | -0.022 | -0.013 | 22.976 | -0.555 | -0.555 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 338 | MET | 0 | 0.026 | 0.022 | 25.593 | 0.475 | 0.475 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 339 | SER | 0 | -0.006 | 0.007 | 21.081 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 340 | ALA | 0 | 0.016 | 0.008 | 24.061 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 341 | PHE | 0 | 0.009 | 0.003 | 26.089 | 0.369 | 0.369 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 342 | TRP | 0 | -0.009 | -0.020 | 26.570 | 0.551 | 0.551 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 343 | TYR | 0 | -0.031 | -0.009 | 25.306 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 344 | ALA | 0 | 0.001 | 0.014 | 27.609 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 345 | VAL | 0 | 0.104 | 0.049 | 30.773 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 346 | ARG | 1 | 0.824 | 0.903 | 25.387 | 12.078 | 12.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 347 | THR | 0 | -0.077 | -0.046 | 30.210 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 348 | ALA | 0 | 0.026 | 0.018 | 32.913 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 349 | VAL | 0 | -0.001 | -0.012 | 35.457 | 0.319 | 0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 350 | ILE | 0 | 0.022 | 0.018 | 32.549 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 351 | ASN | 0 | -0.007 | 0.001 | 35.235 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 352 | ALA | 0 | 0.028 | 0.025 | 38.236 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 353 | ALA | 0 | -0.045 | -0.020 | 39.764 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 354 | SER | 0 | -0.072 | -0.065 | 39.176 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 355 | GLY | 0 | -0.022 | -0.011 | 41.806 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 356 | ARG | 1 | 0.870 | 0.943 | 35.897 | 8.707 | 8.707 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 357 | GLN | 0 | 0.006 | 0.010 | 37.642 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 358 | THR | 0 | -0.034 | -0.043 | 42.255 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 359 | VAL | 0 | 0.037 | 0.003 | 42.725 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 360 | ASP | -1 | -0.811 | -0.912 | 42.343 | -7.126 | -7.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 361 | GLU | -1 | -0.890 | -0.933 | 41.406 | -7.457 | -7.457 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 362 | ALA | 0 | -0.070 | -0.015 | 38.482 | -0.209 | -0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 363 | LEU | 0 | 0.004 | -0.001 | 37.499 | -0.217 | -0.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 364 | LYS | 1 | 0.911 | 0.967 | 38.854 | 7.473 | 7.473 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 365 | ASP | -1 | -0.850 | -0.926 | 33.534 | -9.349 | -9.349 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 366 | ALA | 0 | 0.056 | 0.032 | 33.612 | -0.336 | -0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 367 | GLN | 0 | -0.045 | -0.042 | 34.334 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 368 | THR | 0 | -0.089 | -0.051 | 28.721 | -0.268 | -0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 369 | ASN | 0 | -0.038 | -0.031 | 29.043 | -0.315 | -0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 370 | ALA | 0 | 0.032 | 0.031 | 30.062 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 371 | ALA | 0 | 0.006 | 0.024 | 29.723 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 372 | ALA | 0 | -0.011 | -0.027 | 31.035 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 373 | GLU | -1 | -0.865 | -0.899 | 32.933 | -8.407 | -8.407 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 374 | PHE | 0 | -0.007 | -0.008 | 29.804 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 1182 | THR | 0 | -0.075 | -0.051 | 32.659 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 1183 | GLU | -1 | -0.774 | -0.858 | 35.866 | -8.390 | -8.390 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 1184 | SER | 0 | -0.008 | 0.009 | 39.102 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 1185 | VAL | 0 | 0.064 | 0.021 | 41.412 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 1186 | CYS | 0 | 0.006 | 0.005 | 44.383 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 1187 | GLU | -1 | -0.870 | -0.931 | 43.433 | -6.892 | -6.892 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 1188 | SER | 0 | -0.046 | -0.029 | 42.487 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 1189 | ALA | 0 | 0.008 | 0.019 | 44.979 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 1190 | ALA | 0 | 0.034 | 0.006 | 48.487 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 1191 | ARG | 1 | 0.812 | 0.889 | 40.022 | 7.856 | 7.856 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 1192 | LEU | 0 | 0.004 | 0.010 | 46.609 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 1193 | LEU | 0 | 0.004 | 0.019 | 48.991 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 1194 | PHE | 0 | 0.006 | 0.000 | 49.490 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 1195 | MET | 0 | -0.036 | -0.021 | 44.744 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 1196 | SER | 0 | -0.043 | -0.026 | 50.057 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 1197 | ILE | 0 | 0.040 | 0.016 | 52.986 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 1198 | LYS | 1 | 0.955 | 0.967 | 49.869 | 6.449 | 6.449 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 1199 | TRP | 0 | -0.026 | -0.007 | 51.667 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 1200 | ALA | 0 | 0.045 | 0.036 | 53.425 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 1201 | LYS | 1 | 0.871 | 0.927 | 56.770 | 5.329 | 5.329 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 1202 | SER | 0 | -0.106 | -0.054 | 53.815 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 1203 | VAL | 0 | 0.013 | 0.018 | 55.760 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 1204 | PRO | 0 | 0.011 | -0.011 | 57.821 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 1205 | ALA | 0 | 0.060 | 0.029 | 60.846 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 1206 | PHE | 0 | 0.022 | 0.022 | 60.672 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 1207 | SER | 0 | -0.014 | -0.019 | 60.383 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 1208 | THR | 0 | -0.091 | -0.043 | 63.327 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 1209 | LEU | 0 | -0.010 | 0.011 | 65.519 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 1210 | SER | 0 | 0.016 | 0.013 | 68.109 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 1211 | LEU | 0 | 0.064 | 0.020 | 64.731 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 1212 | GLN | 0 | -0.001 | 0.003 | 67.377 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 1213 | ASP | -1 | -0.733 | -0.876 | 68.682 | -4.580 | -4.580 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 1214 | GLN | 0 | -0.017 | 0.002 | 63.679 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 1215 | LEU | 0 | 0.009 | 0.000 | 63.343 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 1216 | MET | 0 | -0.002 | -0.002 | 64.490 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 1217 | LEU | 0 | -0.007 | 0.006 | 63.697 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 1218 | LEU | 0 | 0.005 | -0.001 | 58.507 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 1219 | GLU | -1 | -0.949 | -0.971 | 61.058 | -4.995 | -4.995 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 1220 | ASP | -1 | -0.927 | -0.964 | 63.046 | -4.907 | -4.907 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 1221 | ALA | 0 | -0.021 | -0.013 | 60.017 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 1222 | TRP | 0 | -0.016 | -0.002 | 55.287 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 1223 | ARG | 1 | 0.887 | 0.936 | 55.851 | 5.255 | 5.255 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 1224 | GLU | -1 | -0.763 | -0.859 | 55.249 | -5.412 | -5.412 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 1225 | LEU | 0 | -0.017 | -0.010 | 54.301 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 1226 | PHE | 0 | -0.037 | -0.006 | 50.427 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 1227 | VAL | 0 | 0.026 | 0.009 | 50.435 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 1228 | LEU | 0 | 0.007 | -0.005 | 50.088 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 1229 | GLY | 0 | -0.042 | -0.017 | 48.404 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 1230 | ILE | 0 | -0.021 | -0.022 | 46.058 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 1231 | ALA | 0 | 0.005 | 0.006 | 45.126 | -0.142 | -0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 1232 | GLN | 0 | 0.006 | 0.010 | 44.869 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 1233 | TRP | 0 | -0.068 | -0.048 | 42.484 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 1234 | ALA | 0 | -0.007 | -0.008 | 38.522 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 1235 | ILE | 0 | 0.028 | 0.048 | 37.399 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 1236 | PRO | 0 | -0.039 | -0.024 | 40.609 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 1237 | VAL | 0 | -0.023 | -0.026 | 40.383 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 1238 | ASP | -1 | -0.766 | -0.903 | 42.115 | -7.327 | -7.327 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 1239 | ALA | 0 | -0.005 | 0.005 | 43.027 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 1240 | ASN | 0 | -0.035 | -0.032 | 45.775 | 0.309 | 0.309 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 1241 | THR | 0 | 0.057 | 0.025 | 44.913 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 1242 | LEU | 0 | -0.007 | 0.002 | 41.179 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 1243 | LEU | 0 | 0.025 | 0.026 | 45.206 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 1244 | ALA | 0 | -0.001 | -0.002 | 47.873 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 1245 | VAL | 0 | -0.037 | -0.009 | 47.781 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 1246 | SER | 0 | -0.065 | -0.054 | 46.113 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 1247 | GLY | 0 | 0.007 | 0.019 | 48.240 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 1248 | MET | 0 | -0.086 | -0.036 | 51.009 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 1249 | ASN | 0 | -0.006 | 0.002 | 53.306 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 1250 | GLY | 0 | 0.071 | 0.035 | 55.429 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 1251 | ASP | -1 | -0.859 | -0.932 | 56.016 | -5.595 | -5.595 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 1252 | ASN | 0 | -0.064 | -0.018 | 57.633 | 0.171 | 0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 1253 | THR | 0 | -0.108 | -0.067 | 59.183 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 1254 | ASP | -1 | -0.792 | -0.861 | 58.709 | -5.390 | -5.390 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 1255 | SER | 0 | 0.033 | 0.010 | 61.411 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 1256 | GLN | 0 | 0.086 | 0.028 | 62.022 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 1257 | ARG | 1 | 0.756 | 0.826 | 60.778 | 5.264 | 5.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 1258 | LEU | 0 | 0.049 | 0.029 | 55.403 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 1259 | THR | 0 | 0.001 | -0.012 | 57.356 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 1260 | LEU | 0 | -0.042 | -0.020 | 58.288 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 1261 | ILE | 0 | 0.034 | 0.024 | 54.927 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 1262 | ILE | 0 | 0.013 | 0.004 | 52.878 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 1263 | SER | 0 | -0.009 | 0.002 | 54.063 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 1264 | GLU | -1 | -0.747 | -0.831 | 55.901 | -5.516 | -5.516 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 1265 | ILE | 0 | -0.018 | -0.001 | 50.055 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 1266 | GLN | 0 | -0.020 | -0.011 | 50.907 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 1267 | ALA | 0 | 0.037 | 0.023 | 52.336 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 1268 | LEU | 0 | -0.011 | -0.003 | 50.056 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 1269 | GLN | 0 | -0.034 | -0.027 | 47.316 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 1270 | GLU | -1 | -0.837 | -0.884 | 48.524 | -6.094 | -6.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 1271 | VAL | 0 | -0.033 | -0.028 | 50.692 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 1272 | VAL | 0 | 0.027 | 0.016 | 46.123 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 1273 | ALA | 0 | 0.037 | 0.021 | 46.290 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 1274 | ARG | 1 | 0.820 | 0.890 | 47.316 | 5.970 | 5.970 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 1275 | PHE | 0 | 0.018 | -0.016 | 49.447 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 1276 | ARG | 1 | 0.801 | 0.879 | 39.810 | 7.716 | 7.716 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 1277 | GLN | 0 | -0.099 | -0.038 | 44.982 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 1278 | LEU | 0 | -0.042 | -0.021 | 46.604 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 1279 | ARG | 1 | 0.782 | 0.882 | 40.156 | 7.852 | 7.852 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 1280 | LEU | 0 | -0.019 | 0.008 | 45.520 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 1281 | ASP | -1 | -0.751 | -0.855 | 45.605 | -6.862 | -6.862 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 1282 | ALA | 0 | 0.020 | -0.009 | 45.482 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 1283 | THR | 0 | -0.012 | 0.008 | 47.355 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 1284 | GLU | -1 | -0.720 | -0.828 | 49.565 | -6.303 | -6.303 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 1285 | PHE | 0 | 0.040 | 0.013 | 46.004 | 0.145 | 0.145 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 1286 | ALA | 0 | -0.041 | -0.008 | 50.942 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 1287 | CYS | 0 | -0.010 | -0.014 | 52.871 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 1288 | LEU | 0 | 0.022 | 0.003 | 52.500 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 1289 | LYS | 1 | 0.939 | 0.982 | 49.034 | 6.566 | 6.566 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 1290 | CYS | 0 | -0.019 | 0.011 | 55.771 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 1291 | ILE | 0 | -0.001 | 0.010 | 58.584 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 1292 | VAL | 0 | -0.027 | 0.000 | 57.095 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 1293 | THR | 0 | 0.007 | -0.016 | 58.613 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 1294 | PHE | 0 | -0.010 | -0.013 | 61.124 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 1295 | LYS | 1 | 0.810 | 0.884 | 61.849 | 5.243 | 5.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 1296 | ALA | 0 | 0.045 | 0.018 | 66.597 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 1297 | VAL | 0 | -0.023 | -0.020 | 70.096 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 1298 | PRO | 0 | 0.014 | 0.025 | 69.187 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 1299 | THR | 0 | -0.049 | -0.036 | 67.399 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 1300 | HIS | 0 | -0.045 | -0.032 | 69.687 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 1301 | SER | 0 | -0.014 | -0.017 | 72.506 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 1302 | GLY | 0 | -0.008 | 0.019 | 75.590 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 1303 | SER | 0 | -0.005 | -0.003 | 77.298 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 1304 | GLU | -1 | -0.785 | -0.881 | 75.281 | -4.297 | -4.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 1305 | LEU | 0 | 0.018 | 0.013 | 70.545 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 1306 | ARG | 1 | 0.797 | 0.880 | 73.458 | 4.264 | 4.264 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 1307 | SER | 0 | 0.025 | 0.019 | 73.139 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 1308 | PHE | 0 | 0.055 | 0.020 | 68.706 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 1309 | ARG | 1 | 0.873 | 0.930 | 73.167 | 4.248 | 4.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 1310 | ASN | 0 | -0.041 | -0.036 | 72.623 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 1311 | ALA | 0 | 0.080 | 0.036 | 72.133 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 1312 | ALA | 0 | 0.006 | 0.010 | 72.186 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 1313 | ALA | 0 | -0.001 | -0.004 | 70.130 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 1314 | ILE | 0 | 0.000 | 0.013 | 66.880 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 1315 | ALA | 0 | 0.014 | 0.000 | 67.589 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 1316 | ALA | 0 | 0.023 | 0.016 | 68.502 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 1317 | LEU | 0 | 0.015 | 0.008 | 64.570 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 1318 | GLN | 0 | -0.055 | -0.030 | 63.771 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 1319 | ASP | -1 | -0.886 | -0.939 | 64.217 | -4.799 | -4.799 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 1320 | GLU | -1 | -0.952 | -0.975 | 62.890 | -5.151 | -5.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 1321 | ALA | 0 | -0.013 | 0.002 | 60.119 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 1322 | GLN | 0 | -0.064 | -0.040 | 60.195 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 1323 | LEU | 0 | 0.006 | 0.002 | 61.285 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 1324 | THR | 0 | -0.015 | 0.008 | 57.235 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 1325 | LEU | 0 | 0.006 | 0.007 | 54.724 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 1326 | ASN | 0 | 0.000 | -0.005 | 57.004 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 1327 | SER | 0 | -0.044 | -0.036 | 58.788 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 1328 | TYR | 0 | -0.015 | -0.029 | 48.977 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 1329 | ILE | 0 | 0.006 | -0.007 | 53.930 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 1330 | HIS | 0 | -0.027 | -0.009 | 54.863 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 1331 | THR | 0 | -0.049 | -0.039 | 54.890 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 1332 | ARG | 1 | 0.846 | 0.943 | 45.449 | 6.744 | 6.744 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 1333 | TYR | 0 | -0.042 | -0.052 | 47.626 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 1334 | PRO | 0 | 0.059 | 0.041 | 52.278 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 1335 | THR | 0 | -0.039 | -0.022 | 51.281 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 1336 | GLN | 0 | -0.051 | -0.030 | 49.842 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 1337 | PRO | 0 | 0.071 | 0.038 | 54.822 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 1338 | VAL | 0 | -0.031 | -0.023 | 56.132 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 1339 | ARG | 1 | 0.773 | 0.879 | 48.527 | 6.513 | 6.513 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 1340 | PHE | 0 | 0.080 | 0.037 | 55.794 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 1341 | GLY | 0 | 0.044 | 0.018 | 58.286 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 1342 | LYS | 1 | 0.918 | 0.952 | 54.014 | 5.857 | 5.857 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 1343 | LEU | 0 | 0.021 | 0.010 | 52.763 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 1344 | LEU | 0 | 0.004 | 0.004 | 56.456 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 1345 | LEU | 0 | -0.040 | -0.029 | 60.020 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 1346 | LEU | 0 | -0.017 | 0.008 | 52.810 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 1347 | LEU | 0 | 0.009 | 0.007 | 56.146 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 1348 | PRO | 0 | -0.013 | -0.012 | 58.337 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 1349 | ALA | 0 | 0.027 | 0.022 | 56.569 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 1350 | LEU | 0 | -0.017 | 0.007 | 53.686 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 1351 | ARG | 1 | 0.832 | 0.901 | 56.833 | 5.094 | 5.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 1352 | SER | 0 | -0.065 | -0.037 | 57.019 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 1353 | ILE | 0 | 0.039 | 0.047 | 54.174 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 1354 | SER | 0 | -0.009 | -0.026 | 58.005 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 1355 | PRO | 0 | -0.006 | -0.026 | 58.549 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 1356 | SER | 0 | 0.026 | 0.014 | 58.835 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 1357 | THR | 0 | -0.005 | -0.030 | 55.318 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 1358 | ILE | 0 | 0.006 | 0.004 | 53.447 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 1359 | GLU | -1 | -0.850 | -0.931 | 54.451 | -5.461 | -5.461 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 1360 | GLU | -1 | -0.805 | -0.878 | 55.924 | -5.478 | -5.478 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 1361 | VAL | 0 | -0.025 | 0.001 | 50.787 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 1362 | PHE | 0 | -0.006 | -0.009 | 47.561 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 1363 | PHE | 0 | -0.031 | -0.012 | 50.520 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 1364 | LYS | 1 | 0.933 | 0.958 | 50.232 | 6.285 | 6.285 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 1365 | LYS | 1 | 0.861 | 0.897 | 55.308 | 5.662 | 5.662 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 1366 | THR | 0 | 0.031 | 0.039 | 57.682 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 1367 | ILE | 0 | -0.009 | -0.020 | 60.610 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 1368 | GLY | 0 | -0.046 | -0.007 | 57.788 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 1369 | ASN | 0 | -0.032 | -0.023 | 58.258 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 1370 | VAL | 0 | 0.058 | 0.024 | 56.480 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 1371 | PRO | 0 | -0.033 | -0.028 | 59.158 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 1372 | ILE | 0 | 0.030 | 0.030 | 62.502 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 1373 | THR | 0 | -0.058 | -0.041 | 57.727 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 1374 | ARG | 1 | 0.886 | 0.954 | 58.635 | 5.201 | 5.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 1375 | LEU | 0 | 0.023 | 0.014 | 59.918 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 1376 | LEU | 0 | -0.021 | -0.018 | 60.523 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 1377 | SER | 0 | -0.029 | -0.005 | 55.525 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 1378 | ASP | -1 | -0.848 | -0.947 | 57.527 | -5.454 | -5.454 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 1379 | MET | 0 | -0.064 | -0.020 | 59.608 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 1380 | TYR | 0 | -0.037 | -0.028 | 60.462 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 1381 | LYS | 1 | 0.830 | 0.937 | 54.729 | 5.688 | 5.688 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 1382 | SER | -1 | -0.916 | -0.943 | 55.605 | -5.859 | -5.859 | 0.000 | 0.000 | 0.000 | 0.000 |