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: N6G8Q
Calculation Name: 1G0D-A-Xray549
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1G0D
Chain ID: A
UniProt ID: P52181
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 | 679 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -16153068.603924 |
|---|---|
| FMO2-HF: Nuclear repulsion | 15884027.268646 |
| FMO2-HF: Total energy | -269041.335277 |
| FMO2-MP2: Total energy | -269824.14372 |
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:6:GLY)
Summations of interaction energy for
fragment #1(A:6: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. |
| -218.656 | -219.324 | 18.917 | -10.46 | -7.789 | -0.121 |
Interaction energy analysis for fragmet #1(A:6: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 | 8 | ILE | 0 | -0.031 | -0.005 | 3.408 | 11.910 | 14.693 | -0.015 | -1.386 | -1.383 | -0.008 |
| 4 | A | 9 | VAL | 0 | -0.031 | -0.004 | 4.988 | -3.195 | -3.100 | -0.001 | -0.004 | -0.090 | 0.000 |
| 117 | A | 122 | VAL | 0 | -0.021 | -0.007 | 4.234 | 0.557 | 0.615 | -0.001 | -0.006 | -0.050 | 0.000 |
| 118 | A | 123 | GLU | -1 | -0.763 | -0.869 | 1.758 | -136.988 | -140.587 | 18.935 | -9.060 | -6.276 | -0.113 |
| 119 | A | 124 | ARG | 1 | 0.887 | 0.942 | 5.059 | 35.833 | 35.828 | -0.001 | -0.004 | 0.010 | 0.000 |
| 5 | A | 10 | ASP | -1 | -0.855 | -0.928 | 7.663 | -21.582 | -21.582 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 11 | VAL | 0 | -0.031 | -0.013 | 10.090 | -0.437 | -0.437 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 12 | ASN | 0 | 0.046 | 0.030 | 12.140 | 2.265 | 2.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 13 | GLY | 0 | 0.036 | -0.006 | 15.686 | 0.319 | 0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 14 | ARG | 1 | 0.883 | 0.934 | 18.551 | 15.324 | 15.324 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 15 | SER | 0 | 0.002 | -0.014 | 21.219 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 16 | HIS | 0 | -0.054 | -0.033 | 23.860 | 0.917 | 0.917 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 17 | GLU | -1 | -0.873 | -0.930 | 23.962 | -12.750 | -12.750 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 18 | ASN | 0 | -0.044 | -0.030 | 21.997 | 0.781 | 0.781 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 19 | ASN | 0 | 0.052 | -0.001 | 26.076 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 20 | LEU | 0 | -0.048 | -0.020 | 28.440 | 0.528 | 0.528 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 21 | ALA | 0 | -0.003 | 0.001 | 29.138 | 0.349 | 0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 22 | HIS | 0 | -0.012 | 0.001 | 27.390 | 0.429 | 0.429 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 23 | ARG | 1 | 0.862 | 0.939 | 31.092 | 8.908 | 8.908 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 24 | THR | 0 | 0.024 | -0.018 | 29.240 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 25 | ARG | 1 | 0.931 | 0.971 | 30.492 | 9.479 | 9.479 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 26 | GLU | -1 | -0.913 | -0.946 | 31.419 | -8.630 | -8.630 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 27 | ILE | 0 | 0.010 | 0.012 | 31.131 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 28 | ASP | -1 | -0.739 | -0.862 | 27.574 | -11.389 | -11.389 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 29 | ARG | 1 | 0.825 | 0.912 | 27.410 | 9.856 | 9.856 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 30 | GLU | -1 | -0.808 | -0.865 | 23.938 | -12.462 | -12.462 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 31 | ARG | 1 | 0.757 | 0.845 | 22.314 | 10.551 | 10.551 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 32 | LEU | 0 | -0.021 | -0.003 | 20.598 | 0.492 | 0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 33 | ILE | 0 | 0.003 | -0.008 | 23.385 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 34 | VAL | 0 | -0.011 | 0.005 | 24.473 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 35 | ARG | 1 | 0.851 | 0.924 | 27.621 | 9.529 | 9.529 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 36 | ARG | 1 | 0.785 | 0.839 | 29.666 | 8.968 | 8.968 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 37 | GLY | 0 | 0.033 | 0.004 | 30.490 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 38 | GLN | 0 | -0.040 | -0.009 | 29.640 | 0.478 | 0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 39 | PRO | 0 | -0.033 | -0.020 | 25.938 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 40 | PHE | 0 | 0.034 | 0.023 | 20.394 | 0.363 | 0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 41 | SER | 0 | -0.035 | -0.017 | 21.020 | -0.397 | -0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 42 | ILE | 0 | -0.008 | 0.011 | 15.559 | 0.532 | 0.532 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 43 | THR | 0 | -0.011 | -0.022 | 15.024 | 0.225 | 0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 44 | LEU | 0 | -0.016 | 0.000 | 9.070 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 45 | GLN | 0 | 0.032 | 0.017 | 11.033 | -0.454 | -0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 46 | CYS | 0 | -0.077 | -0.048 | 8.016 | -4.457 | -4.457 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 47 | SER | 0 | 0.017 | -0.004 | 6.013 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 48 | ASP | -1 | -0.895 | -0.947 | 6.288 | -43.656 | -43.656 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 49 | SER | 0 | -0.045 | -0.025 | 7.962 | 4.861 | 4.861 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 50 | LEU | 0 | -0.010 | 0.003 | 6.966 | -4.584 | -4.584 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 51 | PRO | 0 | 0.005 | 0.005 | 5.905 | 3.573 | 3.573 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 52 | PRO | 0 | 0.001 | -0.009 | 8.712 | 1.567 | 1.567 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 53 | LYS | 1 | 0.927 | 0.964 | 12.026 | 19.413 | 19.413 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 54 | HIS | 0 | 0.040 | 0.024 | 6.514 | 3.260 | 3.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 55 | HIS | 0 | -0.013 | -0.001 | 10.374 | 1.206 | 1.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 56 | LEU | 0 | 0.041 | 0.024 | 8.899 | -2.614 | -2.614 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 57 | GLU | -1 | -0.833 | -0.907 | 11.390 | -17.002 | -17.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 58 | LEU | 0 | 0.021 | 0.014 | 12.928 | -1.332 | -1.332 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 59 | VAL | 0 | -0.032 | -0.018 | 15.323 | 1.278 | 1.278 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 60 | LEU | 0 | 0.010 | 0.016 | 17.104 | -0.702 | -0.702 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 61 | HIS | 0 | -0.077 | -0.060 | 17.209 | -0.556 | -0.556 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 62 | LEU | 0 | 0.044 | 0.021 | 21.258 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 63 | GLY | 0 | 0.043 | 0.022 | 24.766 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 64 | LYS | 1 | 0.819 | 0.898 | 25.041 | 10.104 | 10.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 65 | ARG | 1 | 0.840 | 0.915 | 25.140 | 10.269 | 10.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 66 | ASP | -1 | -0.831 | -0.908 | 20.567 | -15.270 | -15.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 67 | GLU | -1 | -0.772 | -0.849 | 24.035 | -11.091 | -11.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 68 | VAL | 0 | 0.076 | 0.045 | 26.008 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 69 | VAL | 0 | -0.029 | -0.012 | 20.556 | -0.537 | -0.537 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 70 | ILE | 0 | -0.016 | -0.002 | 22.589 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 71 | LYS | 1 | 0.930 | 0.961 | 18.943 | 13.919 | 13.919 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 72 | VAL | 0 | -0.029 | 0.000 | 18.991 | 0.804 | 0.804 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 73 | GLN | 0 | 0.028 | -0.002 | 19.665 | -0.360 | -0.360 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 74 | LYS | 1 | 0.841 | 0.891 | 15.001 | 19.517 | 19.517 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 75 | GLU | -1 | -0.781 | -0.873 | 20.015 | -13.559 | -13.559 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 76 | HIS | 0 | -0.090 | -0.055 | 23.113 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 77 | GLY | 0 | 0.041 | 0.030 | 26.765 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 78 | ALA | 0 | -0.035 | -0.010 | 27.472 | 0.420 | 0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 79 | ARG | 1 | 0.889 | 0.912 | 30.209 | 8.668 | 8.668 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 80 | ASP | -1 | -0.850 | -0.911 | 32.133 | -9.927 | -9.927 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 81 | LYS | 1 | 0.808 | 0.896 | 27.022 | 10.348 | 10.348 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 82 | TRP | 0 | 0.065 | 0.030 | 23.076 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 83 | TRP | 0 | -0.033 | -0.012 | 22.637 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 84 | PHE | 0 | -0.024 | -0.019 | 15.628 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 85 | ASN | 0 | 0.002 | 0.004 | 20.810 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 86 | GLN | 0 | 0.022 | -0.004 | 12.654 | -0.254 | -0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 87 | GLN | 0 | -0.051 | -0.021 | 17.511 | 0.858 | 0.858 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 88 | GLY | 0 | 0.011 | 0.009 | 15.822 | -1.027 | -1.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 89 | ALA | 0 | -0.003 | -0.003 | 16.503 | 1.229 | 1.229 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 90 | GLN | 0 | -0.064 | -0.037 | 17.469 | 1.000 | 1.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 91 | ASP | -1 | -0.864 | -0.922 | 13.334 | -20.881 | -20.881 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 92 | GLU | -1 | -0.882 | -0.937 | 12.386 | -21.411 | -21.411 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 93 | ILE | 0 | -0.043 | -0.024 | 10.084 | 1.527 | 1.527 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 94 | LEU | 0 | 0.009 | 0.009 | 13.806 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 95 | LEU | 0 | -0.014 | -0.007 | 13.176 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 96 | THR | 0 | -0.006 | -0.014 | 17.511 | 0.509 | 0.509 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 97 | LEU | 0 | -0.004 | 0.000 | 17.976 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 98 | HIS | 1 | 0.889 | 0.944 | 21.822 | 13.190 | 13.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 99 | SER | 0 | 0.049 | 0.029 | 25.282 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 100 | PRO | 0 | 0.014 | 0.021 | 27.075 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 101 | ALA | 0 | 0.050 | -0.001 | 30.310 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 102 | ASN | 0 | 0.007 | 0.005 | 32.922 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 103 | ALA | 0 | -0.017 | -0.003 | 28.674 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 104 | VAL | 0 | 0.027 | 0.023 | 29.329 | 0.258 | 0.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 105 | ILE | 0 | -0.007 | 0.023 | 29.438 | -0.439 | -0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 106 | GLY | 0 | 0.011 | -0.015 | 28.755 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 107 | HIS | 0 | -0.036 | -0.019 | 22.858 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 108 | TYR | 0 | -0.028 | -0.030 | 21.910 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 109 | ARG | 1 | 0.852 | 0.906 | 17.701 | 13.797 | 13.797 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 110 | LEU | 0 | -0.006 | -0.005 | 15.329 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 111 | ALA | 0 | -0.016 | -0.003 | 13.138 | -0.905 | -0.905 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 112 | VAL | 0 | 0.040 | 0.020 | 9.886 | 1.127 | 1.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 113 | LEU | 0 | -0.047 | -0.025 | 9.092 | -2.766 | -2.766 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 114 | VAL | 0 | 0.064 | 0.031 | 4.837 | 2.702 | 2.702 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 115 | MET | 0 | -0.048 | -0.027 | 7.292 | -1.176 | -1.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 116 | SER | 0 | 0.017 | -0.012 | 9.548 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 117 | PRO | 0 | -0.032 | -0.026 | 10.928 | 1.518 | 1.518 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 118 | ASP | -1 | -0.849 | -0.874 | 13.914 | -20.914 | -20.914 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 119 | GLY | 0 | 0.005 | 0.012 | 14.450 | 1.211 | 1.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 120 | HIS | 0 | -0.093 | -0.063 | 9.810 | -2.185 | -2.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 121 | ILE | 0 | -0.028 | -0.032 | 8.392 | -1.350 | -1.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 125 | ALA | 0 | 0.053 | 0.038 | 6.332 | -2.979 | -2.979 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 126 | ASP | -1 | -0.874 | -0.933 | 7.792 | -27.817 | -27.817 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 127 | LYS | 1 | 0.820 | 0.925 | 10.373 | 18.813 | 18.813 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 128 | ILE | 0 | 0.028 | 0.028 | 13.521 | 1.492 | 1.492 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 129 | SER | 0 | -0.030 | -0.027 | 15.807 | 0.631 | 0.631 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 130 | PHE | 0 | -0.014 | 0.001 | 19.604 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 131 | HIS | 0 | 0.021 | 0.013 | 22.574 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 132 | MET | 0 | -0.063 | 0.008 | 26.100 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 133 | LEU | 0 | 0.014 | -0.007 | 28.208 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 134 | PHE | 0 | 0.038 | 0.004 | 31.952 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 135 | ASN | 0 | -0.026 | -0.036 | 32.633 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 136 | PRO | 0 | 0.025 | 0.022 | 35.522 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 137 | TRP | 0 | 0.042 | 0.002 | 36.815 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 138 | CYS | 0 | -0.081 | -0.017 | 34.164 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 139 | ARG | 1 | 0.877 | 0.910 | 36.819 | 8.082 | 8.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 140 | ASP | -1 | -0.813 | -0.885 | 36.454 | -8.383 | -8.383 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 141 | ASP | -1 | -0.741 | -0.848 | 36.035 | -8.911 | -8.911 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 142 | MET | 0 | 0.045 | 0.033 | 37.960 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 143 | VAL | 0 | -0.031 | -0.010 | 38.456 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 144 | TYR | 0 | -0.038 | -0.005 | 40.460 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 145 | LEU | 0 | 0.038 | 0.021 | 41.837 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 146 | PRO | 0 | -0.030 | 0.000 | 44.146 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 147 | ASP | -1 | -0.787 | -0.879 | 45.560 | -6.388 | -6.388 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 148 | GLU | -1 | -0.814 | -0.916 | 40.707 | -7.914 | -7.914 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 149 | SER | 0 | -0.089 | -0.050 | 44.623 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 150 | LYS | 1 | 0.899 | 0.927 | 47.534 | 6.317 | 6.317 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 151 | LEU | 0 | 0.013 | 0.021 | 41.045 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 152 | GLN | 0 | -0.012 | -0.004 | 42.598 | -0.232 | -0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 153 | GLU | -1 | -0.784 | -0.878 | 44.404 | -6.607 | -6.607 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 154 | TYR | 0 | 0.008 | -0.022 | 45.848 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 155 | VAL | 0 | 0.029 | 0.021 | 39.001 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 156 | MET | 0 | -0.035 | -0.006 | 36.789 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 157 | ASN | 0 | -0.053 | -0.017 | 41.417 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 158 | GLU | -1 | -0.752 | -0.836 | 40.376 | -7.893 | -7.893 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 159 | ASP | -1 | -0.878 | -0.950 | 44.190 | -6.693 | -6.693 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 160 | GLY | 0 | 0.029 | 0.007 | 47.918 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 161 | VAL | 0 | -0.062 | -0.046 | 50.179 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 162 | ILE | 0 | 0.000 | 0.010 | 51.434 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 163 | TYR | 0 | 0.023 | 0.006 | 55.517 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 164 | MET | 0 | 0.005 | 0.021 | 58.825 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 165 | GLY | 0 | 0.012 | 0.013 | 61.513 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 166 | THR | 0 | -0.052 | -0.068 | 65.211 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 167 | TRP | 0 | 0.048 | 0.009 | 67.122 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 168 | ASP | -1 | -0.843 | -0.890 | 68.147 | -4.520 | -4.520 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 169 | TYR | 0 | -0.033 | -0.022 | 68.805 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 170 | ILE | 0 | -0.020 | 0.008 | 63.302 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 171 | ARG | 1 | 0.838 | 0.907 | 62.110 | 5.153 | 5.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 172 | SER | 0 | 0.014 | -0.010 | 58.846 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 173 | ILE | 0 | -0.014 | -0.002 | 55.206 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 174 | PRO | 0 | -0.009 | -0.001 | 52.903 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 175 | TRP | 0 | -0.001 | -0.032 | 47.625 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 176 | ASN | 0 | -0.020 | -0.023 | 44.642 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 177 | TYR | 0 | 0.009 | 0.004 | 44.247 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 178 | GLY | 0 | 0.063 | 0.035 | 42.112 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 179 | GLN | 0 | -0.007 | -0.031 | 39.005 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 180 | PHE | 0 | -0.045 | -0.029 | 36.082 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 181 | GLU | -1 | -0.792 | -0.869 | 36.378 | -7.959 | -7.959 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 182 | ASP | -1 | -0.872 | -0.946 | 34.124 | -9.319 | -9.319 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 183 | TYR | 0 | -0.054 | -0.038 | 29.660 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 184 | VAL | 0 | -0.007 | 0.014 | 33.506 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 185 | MET | 0 | 0.080 | 0.035 | 28.488 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 186 | ASP | -1 | -0.836 | -0.889 | 29.119 | -10.679 | -10.679 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 187 | ILE | 0 | 0.032 | 0.017 | 32.044 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 188 | CYS | 0 | -0.056 | -0.022 | 35.340 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 189 | PHE | 0 | -0.007 | -0.008 | 30.952 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 190 | GLU | -1 | -0.835 | -0.887 | 33.568 | -8.818 | -8.818 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 191 | VAL | 0 | 0.027 | 0.004 | 34.821 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 192 | LEU | 0 | -0.010 | 0.001 | 34.839 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 193 | ASP | -1 | -0.823 | -0.903 | 31.656 | -9.996 | -9.996 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 194 | ASN | 0 | -0.046 | -0.021 | 34.925 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 195 | SER | 0 | 0.033 | 0.017 | 38.242 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 196 | PRO | 0 | 0.032 | -0.012 | 39.685 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 197 | ALA | 0 | -0.003 | 0.012 | 39.902 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 198 | ALA | 0 | 0.001 | 0.006 | 35.257 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 199 | LEU | 0 | -0.034 | -0.020 | 35.917 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 200 | LYS | 1 | 0.906 | 0.970 | 38.129 | 7.425 | 7.425 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 201 | ASN | 0 | -0.025 | -0.034 | 35.477 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 202 | SER | 0 | 0.015 | -0.012 | 31.404 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 203 | GLU | -1 | -0.950 | -0.966 | 30.800 | -10.265 | -10.265 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 204 | MET | 0 | 0.032 | 0.018 | 32.373 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 205 | ASP | -1 | -0.770 | -0.848 | 35.018 | -8.869 | -8.869 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 206 | ILE | 0 | -0.017 | -0.006 | 28.943 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 207 | GLU | -1 | -0.924 | -0.971 | 31.718 | -9.844 | -9.844 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 208 | HIS | 0 | -0.043 | -0.024 | 33.349 | 0.292 | 0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 209 | ARG | 1 | 0.759 | 0.860 | 32.243 | 9.718 | 9.718 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 210 | SER | 0 | -0.030 | -0.001 | 33.445 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 211 | ASP | -1 | -0.783 | -0.888 | 34.862 | -7.693 | -7.693 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 212 | PRO | 0 | -0.001 | -0.005 | 38.697 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 213 | VAL | 0 | -0.005 | -0.010 | 40.592 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 214 | TYR | 0 | -0.031 | -0.034 | 37.795 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 215 | VAL | 0 | -0.001 | 0.010 | 36.924 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 216 | GLY | 0 | 0.034 | 0.021 | 40.132 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 217 | ARG | 1 | 0.851 | 0.919 | 43.504 | 6.640 | 6.640 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 218 | THR | 0 | -0.028 | -0.024 | 39.747 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 219 | ILE | 0 | -0.011 | -0.015 | 38.909 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 220 | THR | 0 | -0.033 | -0.029 | 42.820 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 221 | ALA | 0 | 0.023 | -0.002 | 45.513 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 222 | MET | 0 | 0.007 | 0.019 | 41.161 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 223 | VAL | 0 | -0.034 | -0.007 | 44.808 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 224 | ASN | 0 | -0.087 | -0.071 | 46.519 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 225 | SER | 0 | 0.009 | 0.014 | 48.992 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 226 | ASN | 0 | 0.006 | 0.008 | 45.760 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 227 | GLY | 0 | 0.062 | 0.025 | 48.142 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 228 | ASP | -1 | -0.936 | -0.971 | 45.288 | -6.940 | -6.940 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 229 | ARG | 1 | 0.889 | 0.929 | 38.834 | 7.734 | 7.734 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 230 | GLY | 0 | 0.063 | 0.054 | 43.427 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 231 | VAL | 0 | -0.039 | -0.025 | 42.780 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 232 | LEU | 0 | -0.015 | -0.011 | 45.368 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 233 | THR | 0 | 0.002 | 0.012 | 49.103 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 234 | GLY | 0 | 0.045 | 0.023 | 52.187 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 235 | ARG | 1 | 0.833 | 0.906 | 55.341 | 5.417 | 5.417 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 236 | TRP | 0 | 0.060 | 0.027 | 57.039 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 237 | GLU | -1 | -0.766 | -0.849 | 61.486 | -4.628 | -4.628 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 238 | GLU | -1 | -0.823 | -0.899 | 62.728 | -4.825 | -4.825 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 239 | PRO | 0 | 0.048 | 0.051 | 63.439 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 240 | TYR | 0 | -0.071 | -0.074 | 58.402 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 241 | THR | 0 | -0.059 | -0.066 | 59.005 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 242 | ASP | -1 | -0.863 | -0.896 | 55.697 | -5.515 | -5.515 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 243 | GLY | 0 | -0.001 | -0.019 | 53.586 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 244 | VAL | 0 | -0.030 | 0.002 | 51.685 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 245 | ALA | 0 | 0.032 | 0.020 | 54.514 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 246 | PRO | 0 | -0.008 | 0.005 | 55.173 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 247 | TYR | 0 | -0.031 | -0.047 | 55.762 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 248 | ARG | 1 | 0.857 | 0.933 | 55.242 | 5.602 | 5.602 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 249 | TRP | 0 | -0.031 | -0.022 | 48.846 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 250 | THR | 0 | -0.029 | -0.051 | 50.692 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 251 | GLY | 0 | 0.083 | 0.034 | 47.658 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 252 | SER | 0 | -0.030 | -0.002 | 44.314 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 253 | VAL | 0 | 0.010 | 0.028 | 40.403 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 254 | PRO | 0 | -0.015 | -0.018 | 42.500 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 255 | ILE | 0 | 0.017 | 0.021 | 44.619 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 256 | LEU | 0 | 0.050 | 0.019 | 40.221 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 257 | GLN | 0 | 0.041 | 0.021 | 36.636 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 258 | GLN | 0 | -0.053 | -0.020 | 40.669 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 259 | TRP | 0 | -0.048 | -0.022 | 37.923 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 260 | SER | 0 | -0.018 | -0.024 | 36.412 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 261 | LYS | 1 | 0.892 | 0.926 | 37.074 | 8.102 | 8.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 262 | ALA | 0 | -0.045 | -0.007 | 39.828 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 263 | GLY | 0 | -0.030 | -0.011 | 38.898 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 264 | VAL | 0 | -0.032 | -0.004 | 38.094 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 265 | ARG | 1 | 0.898 | 0.941 | 41.006 | 7.245 | 7.245 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 266 | PRO | 0 | 0.013 | 0.023 | 44.809 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 267 | VAL | 0 | -0.034 | -0.010 | 45.855 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 268 | LYS | 1 | 0.852 | 0.938 | 48.513 | 6.183 | 6.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 269 | TYR | 0 | 0.028 | 0.004 | 52.289 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 270 | GLY | 0 | -0.008 | 0.009 | 52.755 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 271 | GLN | 0 | -0.010 | -0.031 | 53.680 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 272 | CYS | -1 | -0.812 | -0.691 | 54.424 | -5.656 | -5.656 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 273 | TRP | 0 | 0.069 | 0.015 | 53.838 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 274 | VAL | 0 | -0.040 | -0.008 | 50.469 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 275 | PHE | 0 | 0.019 | 0.004 | 49.824 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 276 | ALA | 0 | 0.033 | 0.017 | 48.978 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 277 | ALA | 0 | 0.010 | -0.003 | 48.860 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 278 | VAL | 0 | 0.000 | 0.000 | 44.485 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 279 | ALA | 0 | 0.039 | 0.014 | 44.315 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 280 | CYS | 0 | -0.022 | -0.001 | 44.106 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 281 | THR | 0 | -0.054 | -0.025 | 41.004 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 282 | VAL | 0 | 0.037 | 0.004 | 38.931 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 283 | LEU | 0 | -0.007 | 0.003 | 39.179 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 284 | ARG | 1 | 0.773 | 0.883 | 40.059 | 6.853 | 6.853 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 285 | CYS | 0 | -0.097 | -0.036 | 36.044 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 286 | LEU | 0 | -0.007 | -0.005 | 34.295 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 287 | GLY | 0 | -0.008 | -0.005 | 35.469 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 288 | ILE | 0 | 0.005 | 0.010 | 37.628 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 289 | PRO | 0 | -0.030 | 0.006 | 40.825 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 290 | THR | 0 | -0.006 | -0.016 | 43.669 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 291 | ARG | 1 | 0.828 | 0.908 | 46.092 | 6.052 | 6.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 292 | PRO | 0 | 0.012 | 0.014 | 49.221 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 293 | ILE | 0 | -0.063 | -0.004 | 51.761 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 294 | THR | 0 | -0.024 | -0.029 | 55.287 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 295 | ASN | 0 | 0.041 | 0.028 | 58.493 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 296 | PHE | 0 | 0.003 | -0.026 | 61.459 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 297 | ALA | 0 | -0.004 | 0.017 | 64.931 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 298 | SER | 0 | -0.051 | -0.064 | 62.228 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 299 | ALA | 0 | 0.002 | 0.010 | 64.787 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 300 | HIS | 1 | 0.806 | 0.892 | 57.957 | 5.411 | 5.411 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 301 | ASP | -1 | -0.824 | -0.940 | 63.113 | -4.803 | -4.803 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 302 | VAL | 0 | -0.032 | -0.010 | 65.574 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 303 | ASP | -1 | -0.791 | -0.906 | 62.681 | -5.109 | -5.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 304 | GLY | 0 | -0.013 | -0.012 | 63.701 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 305 | ASN | 0 | -0.079 | -0.029 | 64.231 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 306 | LEU | 0 | 0.031 | 0.001 | 65.748 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 307 | SER | 0 | -0.101 | -0.061 | 69.465 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 308 | VAL | 0 | 0.046 | 0.034 | 71.395 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 309 | ASP | -1 | -0.831 | -0.877 | 74.236 | -4.103 | -4.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 310 | PHE | 0 | 0.017 | 0.000 | 73.261 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 311 | LEU | 0 | -0.032 | -0.023 | 77.679 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 312 | LEU | 0 | 0.033 | 0.010 | 79.334 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 313 | ASN | 0 | -0.002 | -0.006 | 82.629 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 314 | GLU | -1 | -0.796 | -0.924 | 85.935 | -3.629 | -3.629 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 315 | ARG | 1 | 0.787 | 0.900 | 86.026 | 3.745 | 3.745 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 316 | LEU | 0 | 0.047 | 0.028 | 82.848 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 317 | GLU | -1 | -0.779 | -0.862 | 80.985 | -3.896 | -3.896 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 318 | SER | 0 | 0.023 | 0.005 | 77.554 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 319 | LEU | 0 | -0.038 | -0.022 | 79.647 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 320 | ASP | -1 | -0.781 | -0.839 | 77.112 | -4.163 | -4.163 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 321 | SER | 0 | 0.028 | 0.013 | 78.246 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 322 | ARG | 1 | 0.851 | 0.884 | 75.625 | 4.156 | 4.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 323 | GLN | 0 | -0.026 | -0.005 | 73.250 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 324 | ARG | 1 | 0.793 | 0.841 | 69.322 | 4.630 | 4.630 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 325 | SER | 0 | 0.031 | 0.028 | 68.239 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 326 | ASP | -1 | -0.849 | -0.895 | 70.824 | -4.252 | -4.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 327 | SER | 0 | 0.039 | 0.013 | 71.269 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 328 | SER | 0 | 0.025 | 0.019 | 67.926 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 329 | TRP | 0 | -0.041 | 0.001 | 60.007 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 330 | ASN | 0 | 0.007 | 0.004 | 66.381 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 331 | PHE | 0 | -0.010 | -0.022 | 59.040 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 332 | HIS | 1 | 0.797 | 0.828 | 56.587 | 5.589 | 5.589 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 333 | CYS | 0 | -0.006 | -0.045 | 55.008 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 334 | TRP | 0 | -0.008 | -0.004 | 53.520 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 335 | VAL | 0 | -0.024 | -0.013 | 47.471 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 336 | GLU | -1 | -0.758 | -0.828 | 50.540 | -5.941 | -5.941 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 337 | SER | 0 | 0.024 | -0.024 | 45.090 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 338 | TRP | 0 | -0.084 | -0.043 | 44.468 | 0.216 | 0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 339 | MET | 0 | -0.029 | -0.021 | 43.722 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 340 | SER | 0 | 0.011 | 0.025 | 43.795 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 341 | ARG | 1 | 0.697 | 0.783 | 45.383 | 6.537 | 6.537 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 342 | GLU | -1 | -0.839 | -0.927 | 43.019 | -7.479 | -7.479 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 343 | ASP | -1 | -0.817 | -0.868 | 45.665 | -6.766 | -6.766 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 344 | LEU | 0 | -0.081 | -0.037 | 47.348 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 345 | PRO | 0 | 0.000 | -0.010 | 50.834 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 346 | GLU | -1 | -0.872 | -0.926 | 51.708 | -6.290 | -6.290 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 347 | GLY | 0 | -0.020 | -0.009 | 52.911 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 348 | ASN | 0 | -0.061 | -0.047 | 52.192 | 0.148 | 0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 349 | ASP | -1 | -0.800 | -0.899 | 48.266 | -6.807 | -6.807 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 350 | GLY | 0 | -0.002 | -0.004 | 48.641 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 351 | TRP | 0 | -0.040 | -0.027 | 47.919 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 352 | GLN | 0 | 0.004 | -0.001 | 47.906 | 0.186 | 0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 353 | VAL | 0 | 0.003 | 0.005 | 50.120 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 354 | LEU | 0 | 0.001 | -0.002 | 46.692 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 355 | ASP | -1 | -0.727 | -0.866 | 50.392 | -5.790 | -5.790 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 356 | PRO | 0 | -0.023 | -0.021 | 48.832 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 357 | THR | 0 | -0.050 | -0.039 | 50.810 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 358 | PRO | 0 | -0.042 | -0.004 | 53.495 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 359 | GLN | 0 | 0.007 | -0.001 | 55.614 | 0.158 | 0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 360 | GLU | -1 | -0.902 | -0.956 | 58.510 | -5.085 | -5.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 361 | LEU | 0 | -0.085 | -0.039 | 61.778 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 362 | SER | 0 | -0.012 | -0.010 | 57.348 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 363 | ASP | -1 | -0.939 | -0.960 | 57.950 | -5.509 | -5.509 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 364 | GLY | 0 | -0.037 | -0.021 | 55.601 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 365 | GLU | -1 | -0.909 | -0.956 | 52.878 | -6.214 | -6.214 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 366 | PHE | 0 | -0.033 | -0.022 | 52.472 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 367 | CYS | 0 | -0.037 | 0.027 | 48.706 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 368 | CYS | 0 | -0.032 | -0.015 | 52.451 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 369 | GLY | 0 | 0.023 | 0.026 | 51.296 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 370 | PRO | 0 | -0.005 | -0.007 | 46.485 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 371 | CYS | 0 | 0.003 | 0.025 | 49.587 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 372 | PRO | 0 | 0.020 | 0.027 | 52.123 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 373 | VAL | 0 | 0.017 | 0.005 | 53.547 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 374 | ALA | 0 | 0.025 | 0.010 | 55.623 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 375 | ALA | 0 | -0.008 | 0.001 | 56.631 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 376 | ILE | 0 | -0.025 | -0.008 | 57.803 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 377 | LYS | 1 | 0.885 | 0.967 | 60.174 | 5.263 | 5.263 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 378 | GLU | -1 | -0.767 | -0.867 | 61.446 | -4.960 | -4.960 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 379 | GLY | 0 | 0.038 | 0.023 | 62.919 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 380 | ASN | 0 | -0.100 | -0.058 | 58.163 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 381 | LEU | 0 | 0.054 | 0.009 | 59.429 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 382 | GLY | 0 | 0.012 | 0.016 | 59.468 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 383 | VAL | 0 | -0.057 | -0.013 | 54.318 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 384 | LYS | 1 | 0.836 | 0.929 | 48.296 | 6.654 | 6.654 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 385 | TYR | 0 | 0.011 | -0.022 | 46.731 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 386 | ASP | -1 | -0.725 | -0.879 | 52.774 | -6.040 | -6.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 387 | ALA | 0 | 0.046 | 0.029 | 56.026 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 388 | PRO | 0 | -0.007 | -0.011 | 57.992 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 389 | PHE | 0 | 0.041 | 0.028 | 58.628 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 390 | VAL | 0 | -0.010 | -0.002 | 55.682 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 391 | PHE | 0 | -0.002 | -0.003 | 59.117 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 392 | ALA | 0 | 0.020 | 0.003 | 62.306 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 393 | GLU | -1 | -0.762 | -0.837 | 59.785 | -5.216 | -5.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 394 | VAL | 0 | -0.006 | -0.001 | 62.080 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 395 | ASN | 0 | 0.019 | 0.017 | 64.181 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 396 | ALA | 0 | 0.040 | 0.037 | 67.198 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 397 | ASP | -1 | -0.818 | -0.899 | 69.011 | -4.293 | -4.293 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 398 | THR | 0 | 0.003 | 0.006 | 72.329 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 399 | ILE | 0 | -0.008 | 0.011 | 74.429 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 400 | TYR | 0 | 0.036 | 0.016 | 75.382 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 401 | TRP | 0 | -0.032 | -0.046 | 80.168 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 402 | ILE | 0 | 0.000 | 0.017 | 83.492 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 403 | VAL | 0 | -0.030 | -0.015 | 84.371 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 404 | GLN | 0 | -0.011 | -0.026 | 87.182 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 405 | LYS | 1 | 0.796 | 0.888 | 88.402 | 3.624 | 3.624 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 406 | ASP | -1 | -0.814 | -0.883 | 91.961 | -3.463 | -3.463 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 407 | GLY | 0 | 0.012 | 0.008 | 89.552 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 408 | GLN | 0 | -0.067 | -0.043 | 89.473 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 409 | ARG | 1 | 0.902 | 0.962 | 82.591 | 3.859 | 3.859 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 410 | ARG | 1 | 0.833 | 0.879 | 87.971 | 3.556 | 3.556 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 411 | LYS | 1 | 0.959 | 0.985 | 82.449 | 3.886 | 3.886 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 412 | ILE | 0 | -0.010 | -0.009 | 82.614 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 413 | THR | 0 | 0.010 | 0.027 | 82.860 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 414 | GLU | -1 | -0.893 | -0.965 | 77.049 | -4.214 | -4.214 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 415 | ASP | -1 | -0.881 | -0.912 | 79.949 | -4.066 | -4.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 416 | HIS | 0 | -0.001 | -0.035 | 73.254 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 417 | ALA | 0 | -0.013 | 0.008 | 74.942 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 418 | SER | 0 | 0.025 | 0.014 | 70.115 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 419 | VAL | 0 | 0.031 | 0.028 | 67.308 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 420 | GLY | 0 | -0.042 | -0.028 | 64.775 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 421 | LYS | 1 | 0.778 | 0.900 | 65.777 | 4.532 | 4.532 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 422 | ASN | 0 | 0.023 | 0.005 | 65.451 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 423 | ILE | 0 | 0.007 | 0.018 | 59.361 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 424 | SER | 0 | -0.015 | -0.009 | 59.668 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 425 | THR | 0 | 0.002 | -0.012 | 53.763 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 426 | LYS | 1 | 0.805 | 0.905 | 50.987 | 6.338 | 6.338 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 427 | SER | 0 | -0.013 | -0.020 | 53.771 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 428 | VAL | 0 | 0.001 | 0.006 | 49.925 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 429 | TYR | 0 | 0.026 | 0.016 | 50.611 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 430 | GLY | 0 | 0.006 | 0.015 | 54.016 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 431 | ASN | 0 | -0.031 | -0.039 | 53.886 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 432 | HIS | 0 | 0.028 | 0.013 | 56.239 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 433 | ARG | 1 | 0.841 | 0.913 | 57.938 | 4.996 | 4.996 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 434 | GLU | -1 | -0.938 | -0.966 | 56.485 | -5.664 | -5.664 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 435 | ASP | -1 | -0.796 | -0.870 | 59.439 | -5.072 | -5.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 436 | VAL | 0 | 0.030 | 0.000 | 56.715 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 437 | THR | 0 | 0.010 | -0.012 | 60.050 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 438 | LEU | 0 | -0.009 | -0.003 | 63.074 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 439 | HIS | 0 | -0.031 | -0.024 | 56.899 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 440 | TYR | 0 | -0.001 | -0.035 | 55.541 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 441 | LYS | 1 | 0.874 | 0.948 | 61.115 | 4.844 | 4.844 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 442 | TYR | 0 | -0.080 | -0.084 | 64.687 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 443 | PRO | 0 | -0.012 | -0.003 | 67.655 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 444 | GLU | -1 | -0.856 | -0.924 | 70.423 | -4.349 | -4.349 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 445 | GLY | 0 | -0.009 | 0.001 | 73.109 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 446 | SER | 0 | -0.070 | -0.038 | 71.882 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 447 | GLN | 0 | -0.001 | -0.019 | 73.951 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 448 | LYS | 1 | 0.879 | 0.949 | 66.551 | 4.832 | 4.832 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 449 | GLU | -1 | -0.807 | -0.892 | 69.637 | -4.577 | -4.577 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 450 | ARG | 1 | 0.900 | 0.929 | 70.772 | 4.114 | 4.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 451 | GLU | -1 | -0.990 | -1.016 | 70.005 | -4.581 | -4.581 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 452 | VAL | 0 | 0.010 | 0.019 | 65.897 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 453 | TYR | 0 | -0.022 | -0.037 | 67.975 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 454 | LYS | 1 | 0.884 | 0.949 | 70.598 | 4.367 | 4.367 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 455 | LYS | 1 | 0.808 | 0.909 | 63.151 | 5.093 | 5.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 456 | ALA | 0 | -0.004 | -0.001 | 66.282 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 457 | GLY | 0 | 0.006 | 0.015 | 67.569 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 458 | ARG | 1 | 0.752 | 0.873 | 69.352 | 4.519 | 4.519 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 459 | ARG | 1 | 0.779 | 0.869 | 71.309 | 4.297 | 4.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 460 | VAL | 0 | 0.004 | -0.005 | 74.795 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 461 | THR | 0 | -0.052 | -0.040 | 76.627 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 462 | GLU | -1 | -0.827 | -0.886 | 79.697 | -4.049 | -4.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 463 | PRO | 0 | 0.005 | 0.015 | 80.794 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 464 | SER | 0 | -0.032 | -0.036 | 82.306 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 465 | ASN | 0 | -0.034 | -0.052 | 83.888 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 466 | GLU | -1 | -0.816 | -0.887 | 85.196 | -3.774 | -3.774 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 467 | ILE | 0 | -0.044 | -0.020 | 88.211 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 468 | ALA | 0 | -0.017 | -0.035 | 91.064 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 469 | GLU | -1 | -0.862 | -0.907 | 94.523 | -3.211 | -3.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 470 | GLN | 0 | -0.099 | -0.061 | 95.478 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 471 | GLY | 0 | -0.045 | -0.009 | 94.410 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 472 | ARG | 0 | 0.040 | 0.060 | 87.396 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 473 | LEU | 0 | -0.035 | -0.017 | 90.070 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 474 | GLN | 0 | 0.022 | 0.005 | 83.823 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 475 | LEU | 0 | -0.031 | -0.003 | 84.725 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 476 | SER | 0 | 0.009 | -0.002 | 82.441 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 477 | ILE | 0 | -0.006 | 0.013 | 79.814 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 478 | LYS | 1 | 0.828 | 0.907 | 79.777 | 3.786 | 3.786 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 479 | HIS | 0 | 0.048 | 0.020 | 74.236 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 480 | ALA | 0 | 0.013 | 0.001 | 78.544 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 481 | GLN | 0 | -0.030 | -0.009 | 71.475 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 482 | PRO | 0 | 0.028 | 0.036 | 74.281 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 483 | VAL | 0 | 0.026 | 0.028 | 71.884 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 484 | PHE | 0 | 0.009 | 0.005 | 70.323 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 485 | GLY | 0 | -0.011 | -0.019 | 72.773 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 486 | THR | 0 | -0.083 | -0.046 | 75.251 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 487 | ASP | -1 | -0.765 | -0.876 | 78.198 | -3.941 | -3.941 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 488 | PHE | 0 | -0.068 | -0.041 | 77.362 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 489 | ASP | -1 | -0.837 | -0.902 | 81.469 | -3.761 | -3.761 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 490 | VAL | 0 | -0.043 | -0.024 | 80.279 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 491 | ILE | 0 | -0.026 | -0.014 | 82.950 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 492 | VAL | 0 | 0.023 | 0.005 | 83.944 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 493 | GLU | -1 | -0.829 | -0.912 | 85.894 | -3.687 | -3.687 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 494 | VAL | 0 | 0.033 | 0.027 | 87.294 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 495 | LYS | 1 | 0.831 | 0.898 | 85.737 | 3.808 | 3.808 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 496 | ASN | 0 | 0.012 | -0.010 | 90.821 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 497 | GLU | 0 | -0.083 | -0.082 | 89.082 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 498 | GLY | 0 | 0.084 | 0.051 | 93.732 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 499 | GLY | 0 | -0.059 | -0.038 | 96.493 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 500 | ARG | 1 | 0.851 | 0.903 | 99.565 | 3.183 | 3.183 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 501 | ASP | -1 | -0.860 | -0.922 | 99.409 | -3.228 | -3.228 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 502 | ALA | 0 | -0.002 | 0.011 | 96.411 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 503 | HIS | 0 | 0.015 | 0.015 | 97.698 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 504 | ALA | 0 | 0.007 | 0.004 | 93.806 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 505 | GLN | 0 | -0.010 | 0.002 | 93.607 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 506 | LEU | 0 | 0.012 | 0.007 | 88.335 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 507 | THR | 0 | 0.002 | 0.002 | 86.924 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 508 | MET | 0 | -0.028 | -0.010 | 85.334 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 509 | LEU | 0 | 0.003 | -0.002 | 81.895 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 510 | ALA | 0 | 0.053 | 0.027 | 79.855 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 511 | MET | 0 | -0.002 | 0.017 | 76.013 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 512 | ALA | 0 | 0.010 | 0.016 | 73.162 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 513 | VAL | 0 | -0.055 | -0.017 | 70.190 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 514 | THR | 0 | 0.001 | -0.012 | 65.701 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 515 | TYR | 0 | 0.001 | -0.104 | 58.998 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 516 | ASN | 0 | 0.025 | 0.037 | 62.928 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 517 | SER | 0 | 0.007 | 0.013 | 65.023 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 518 | LEU | 0 | 0.013 | 0.024 | 66.036 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 519 | ARG | 1 | 0.925 | 0.948 | 69.283 | 4.260 | 4.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 520 | ARG | 1 | 0.750 | 0.847 | 68.765 | 4.632 | 4.632 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 521 | GLY | 0 | 0.005 | 0.003 | 73.658 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 522 | GLU | -1 | -0.836 | -0.928 | 77.116 | -3.956 | -3.956 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 523 | CYS | 0 | -0.074 | -0.058 | 79.047 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 524 | GLN | 0 | -0.002 | -0.012 | 81.023 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 525 | ARG | 1 | 0.766 | 0.860 | 83.687 | 3.796 | 3.796 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 526 | LYS | 1 | 0.799 | 0.898 | 86.361 | 3.615 | 3.615 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 527 | THR | 0 | -0.004 | -0.015 | 89.155 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 528 | ILE | 0 | -0.030 | 0.000 | 91.835 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 529 | SER | 0 | -0.010 | -0.008 | 94.447 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 530 | VAL | 0 | -0.023 | -0.011 | 93.908 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 531 | THR | 0 | -0.010 | -0.028 | 96.965 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 532 | VAL | 0 | -0.015 | -0.005 | 94.039 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 533 | PRO | 0 | 0.013 | 0.004 | 97.350 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 534 | ALA | 0 | 0.039 | 0.027 | 97.837 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 535 | HIS | 0 | -0.046 | -0.020 | 95.708 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 536 | LYS | 1 | 0.933 | 0.974 | 95.661 | 3.295 | 3.295 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 537 | ALA | 0 | 0.005 | 0.004 | 91.027 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 538 | HIS | 0 | 0.005 | 0.010 | 92.204 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 539 | LYS | 1 | 0.896 | 0.943 | 88.439 | 3.600 | 3.600 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 540 | GLU | -1 | -0.725 | -0.851 | 89.807 | -3.508 | -3.508 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 541 | VAL | 0 | -0.036 | -0.020 | 86.998 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 542 | MET | 0 | -0.027 | 0.004 | 83.090 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 543 | ARG | 1 | 0.858 | 0.925 | 84.545 | 3.764 | 3.764 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 544 | LEU | 0 | -0.010 | 0.016 | 79.533 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 545 | HIS | 0 | 0.053 | 0.020 | 81.721 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 546 | TYR | 0 | 0.041 | 0.019 | 73.609 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 547 | ASP | -1 | -0.908 | -0.967 | 78.120 | -3.974 | -3.974 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 548 | ASP | -1 | -0.827 | -0.910 | 80.179 | -3.881 | -3.881 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 549 | TYR | 0 | 0.007 | -0.026 | 74.657 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 550 | VAL | 0 | -0.065 | -0.034 | 73.851 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 551 | ARG | 1 | 0.794 | 0.902 | 74.212 | 3.937 | 3.937 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 552 | CYS | 0 | -0.039 | 0.006 | 75.005 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 553 | VAL | 0 | -0.002 | 0.006 | 70.730 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 554 | SER | 0 | 0.045 | 0.008 | 66.039 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 555 | GLU | -1 | -0.837 | -0.888 | 62.269 | -5.037 | -5.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 556 | HIS | 0 | -0.024 | -0.019 | 60.780 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 557 | HIS | 1 | 0.809 | 0.910 | 65.805 | 4.809 | 4.809 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 558 | LEU | 0 | 0.025 | 0.026 | 66.802 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 559 | ILE | 0 | 0.007 | 0.001 | 70.684 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 560 | ARG | 1 | 0.767 | 0.851 | 70.253 | 4.506 | 4.506 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 561 | VAL | 0 | -0.024 | -0.012 | 75.328 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 562 | LYS | 1 | 0.875 | 0.910 | 76.798 | 4.156 | 4.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 563 | ALA | 0 | 0.014 | 0.006 | 80.776 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 564 | LEU | 0 | 0.003 | 0.000 | 83.709 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 565 | LEU | 0 | 0.001 | 0.004 | 86.286 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 566 | ASP | -1 | -0.779 | -0.860 | 89.356 | -3.562 | -3.562 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 567 | ALA | 0 | 0.040 | 0.008 | 91.611 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 568 | PRO | 0 | -0.050 | -0.013 | 94.332 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 569 | GLY | 0 | 0.067 | 0.019 | 93.805 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 570 | GLU | -1 | -0.812 | -0.901 | 93.030 | -3.434 | -3.434 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 571 | ASN | 0 | -0.007 | 0.011 | 87.622 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 572 | GLY | 0 | -0.030 | 0.001 | 89.192 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 573 | PRO | 0 | -0.053 | -0.016 | 87.511 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 574 | ILE | 0 | 0.033 | 0.018 | 84.538 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 575 | MET | 0 | -0.058 | -0.036 | 79.292 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 576 | THR | 0 | 0.009 | 0.004 | 79.609 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 577 | VAL | 0 | -0.004 | -0.012 | 75.480 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 578 | ALA | 0 | 0.035 | 0.022 | 75.518 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 579 | ASN | 0 | 0.025 | 0.010 | 71.281 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 580 | ILE | 0 | 0.011 | 0.010 | 72.874 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 581 | PRO | 0 | 0.007 | 0.011 | 68.417 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 582 | LEU | 0 | -0.036 | -0.017 | 70.318 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 583 | SER | 0 | 0.001 | -0.012 | 68.755 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 584 | THR | 0 | -0.029 | -0.031 | 64.608 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 585 | PRO | 0 | -0.050 | -0.017 | 66.469 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 586 | GLU | -1 | -0.919 | -0.960 | 61.985 | -5.206 | -5.206 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 587 | LEU | 0 | -0.082 | -0.044 | 59.205 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 588 | LEU | 0 | 0.022 | 0.009 | 61.338 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 589 | VAL | 0 | -0.004 | -0.006 | 55.590 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 590 | GLN | 0 | -0.025 | -0.024 | 58.032 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 591 | VAL | 0 | 0.033 | 0.005 | 51.909 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 592 | PRO | 0 | -0.032 | 0.008 | 55.125 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 593 | GLY | 0 | 0.039 | 0.022 | 55.053 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 594 | LYS | 1 | 0.896 | 0.951 | 48.426 | 6.486 | 6.486 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 595 | ALA | 0 | 0.069 | 0.038 | 48.614 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 596 | VAL | 0 | -0.045 | -0.043 | 44.312 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 597 | VAL | 0 | 0.002 | -0.006 | 39.258 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 598 | TRP | 0 | 0.019 | 0.000 | 36.181 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 599 | GLU | -1 | -0.906 | -0.946 | 41.574 | -7.032 | -7.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 600 | PRO | 0 | -0.053 | -0.027 | 45.100 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 601 | LEU | 0 | -0.015 | 0.013 | 47.478 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 602 | THR | 0 | -0.038 | -0.044 | 50.471 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 603 | ALA | 0 | 0.018 | 0.014 | 52.733 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 604 | TYR | 0 | -0.017 | -0.033 | 54.420 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 605 | VAL | 0 | 0.030 | 0.021 | 57.640 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 606 | SER | 0 | -0.046 | -0.016 | 59.806 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 607 | PHE | 0 | 0.049 | 0.025 | 63.532 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 608 | THR | 0 | -0.016 | -0.013 | 66.263 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 609 | ASN | 0 | 0.011 | -0.005 | 69.937 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 610 | PRO | 0 | 0.030 | 0.016 | 70.070 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 611 | LEU | 0 | 0.011 | 0.013 | 71.162 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 612 | PRO | 0 | 0.007 | 0.007 | 74.413 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 613 | VAL | 0 | -0.024 | -0.035 | 73.911 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 614 | PRO | 0 | -0.032 | -0.006 | 72.511 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 615 | LEU | 0 | -0.010 | 0.006 | 67.495 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 616 | LYS | 1 | 0.863 | 0.902 | 66.447 | 4.559 | 4.559 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 617 | GLY | 0 | 0.058 | 0.026 | 62.802 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 618 | GLY | 0 | -0.015 | -0.002 | 61.813 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 619 | VAL | 0 | -0.021 | -0.009 | 56.034 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 620 | PHE | 0 | 0.028 | 0.001 | 56.824 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 621 | THR | 0 | -0.009 | -0.014 | 51.232 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 622 | LEU | 0 | 0.000 | 0.002 | 50.978 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | A | 623 | GLU | -1 | -0.745 | -0.856 | 47.024 | -6.820 | -6.820 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | A | 624 | GLY | 0 | 0.060 | 0.022 | 46.518 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | A | 625 | ALA | 0 | 0.068 | 0.059 | 42.895 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | A | 626 | GLY | 0 | 0.036 | 0.018 | 40.904 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | A | 627 | LEU | 0 | -0.118 | -0.053 | 41.864 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | A | 628 | LEU | 0 | 0.021 | -0.003 | 43.708 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | A | 629 | SER | 0 | 0.059 | 0.029 | 41.640 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | A | 630 | ALA | 0 | 0.006 | 0.005 | 44.172 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | A | 631 | THR | 0 | -0.029 | -0.007 | 47.007 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | A | 632 | GLN | 0 | -0.012 | -0.012 | 49.068 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | A | 633 | ILE | 0 | -0.016 | -0.011 | 52.577 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | A | 634 | HIS | 0 | -0.005 | 0.005 | 54.493 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | A | 635 | VAL | 0 | -0.019 | -0.016 | 58.471 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | A | 636 | ASN | 0 | -0.017 | -0.007 | 59.875 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | A | 637 | GLY | 0 | 0.013 | 0.008 | 63.324 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | A | 638 | ALA | 0 | -0.049 | -0.028 | 66.528 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | A | 639 | VAL | 0 | -0.012 | 0.010 | 66.828 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | A | 640 | ALA | 0 | 0.055 | 0.022 | 69.563 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | A | 641 | PRO | 0 | 0.024 | 0.010 | 72.994 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | A | 642 | SER | 0 | -0.015 | 0.005 | 74.732 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | A | 643 | GLY | 0 | 0.000 | 0.016 | 72.522 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | A | 644 | LYS | 1 | 0.926 | 0.959 | 67.856 | 4.618 | 4.618 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | A | 645 | VAL | 0 | 0.025 | 0.025 | 63.878 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | A | 646 | SER | 0 | -0.050 | -0.061 | 63.341 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | A | 647 | VAL | 0 | -0.011 | 0.022 | 58.431 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | A | 648 | LYS | 1 | 0.932 | 0.961 | 56.847 | 5.496 | 5.496 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | A | 649 | LEU | 0 | 0.027 | 0.019 | 49.988 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | A | 650 | SER | 0 | 0.000 | 0.001 | 50.278 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | A | 651 | PHE | 0 | 0.003 | 0.003 | 45.735 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | A | 652 | SER | 0 | 0.020 | 0.021 | 42.975 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | A | 653 | PRO | 0 | -0.073 | -0.026 | 43.208 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | A | 654 | MET | 0 | 0.031 | 0.032 | 38.744 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | A | 655 | ARG | 1 | 0.746 | 0.824 | 36.561 | 7.998 | 7.998 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | A | 656 | THR | 0 | -0.050 | -0.035 | 39.491 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | A | 657 | GLY | 0 | 0.029 | 0.011 | 41.846 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | A | 658 | VAL | 0 | -0.066 | -0.038 | 44.319 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | A | 659 | ARG | 1 | 0.841 | 0.928 | 40.832 | 7.517 | 7.517 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | A | 660 | LYS | 1 | 0.898 | 0.956 | 47.697 | 6.463 | 6.463 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | A | 661 | LEU | 0 | -0.017 | 0.003 | 48.984 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | A | 662 | LEU | 0 | -0.009 | -0.009 | 49.794 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | A | 663 | VAL | 0 | -0.027 | -0.021 | 52.612 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | A | 664 | ASP | -1 | -0.773 | -0.854 | 55.209 | -5.520 | -5.520 | 0.000 | 0.000 | 0.000 | 0.000 |
| 660 | A | 665 | PHE | 0 | 0.007 | -0.015 | 56.821 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 661 | A | 666 | ASP | -1 | -0.805 | -0.881 | 59.767 | -5.177 | -5.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 662 | A | 667 | SER | 0 | -0.010 | -0.009 | 61.375 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 663 | A | 668 | ASP | -1 | -0.771 | -0.880 | 64.148 | -4.684 | -4.684 | 0.000 | 0.000 | 0.000 | 0.000 |
| 664 | A | 669 | ARG | 1 | 0.877 | 0.940 | 66.799 | 4.448 | 4.448 | 0.000 | 0.000 | 0.000 | 0.000 |
| 665 | A | 670 | LEU | 0 | 0.011 | 0.007 | 66.533 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 666 | A | 671 | LYS | 1 | 0.890 | 0.965 | 62.623 | 5.011 | 5.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 667 | A | 672 | ASP | -1 | -0.749 | -0.865 | 60.857 | -5.178 | -5.178 | 0.000 | 0.000 | 0.000 | 0.000 |
| 668 | A | 673 | VAL | 0 | -0.006 | 0.023 | 61.682 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 669 | A | 674 | LYS | 1 | 0.829 | 0.892 | 55.965 | 5.552 | 5.552 | 0.000 | 0.000 | 0.000 | 0.000 |
| 670 | A | 675 | GLY | 0 | 0.046 | 0.032 | 58.086 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 671 | A | 676 | VAL | 0 | -0.003 | -0.010 | 54.117 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
| 672 | A | 677 | THR | 0 | -0.021 | 0.007 | 54.102 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 673 | A | 678 | THR | 0 | -0.010 | -0.011 | 51.968 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
| 674 | A | 679 | VAL | 0 | -0.004 | 0.000 | 49.595 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 675 | A | 680 | VAL | 0 | 0.000 | -0.003 | 48.777 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 676 | A | 681 | VAL | 0 | 0.033 | 0.035 | 43.853 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 677 | A | 682 | HIS | 0 | -0.012 | -0.013 | 44.880 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
| 678 | A | 683 | LYS | 1 | 0.938 | 0.940 | 38.981 | 8.009 | 8.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 679 | A | 684 | LYS | 0 | 0.081 | 0.094 | 39.651 | -1.027 | -1.027 | 0.000 | 0.000 | 0.000 | 0.000 |