FMODB: The database of quantum mechanical data based on the FMO method
Last updated: 2024-07-23
All entries: 37478
Number of unique PDB entries: 7783
FMODB ID: QV1YY
Calculation Name: 5J98-C-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5J98
Chain ID: C
UniProt ID: A7LM73
Base Structure: X-ray
Registration Date: 2023-09-20
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptAll |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Structure Preparation |
| Water | No |
| Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 417 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -6491743.460124 |
|---|---|
| FMO2-HF: Nuclear repulsion | 6332310.07476 |
| FMO2-HF: Total energy | -159433.385364 |
| FMO2-MP2: Total energy | -159905.293001 |
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(C:1:ASP)
Summations of interaction energy for
fragment #1(C:1:ASP)
| 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. |
| -0.89100000000001 | 3.291 | 2.484 | -2.982 | -3.683 | 0.025 |
Interaction energy analysis for fragmet #1(C:1:ASP)
| 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 | C | 3 | PRO | 0 | -0.010 | 0.017 | 2.403 | -15.669 | -11.484 | 2.485 | -2.979 | -3.690 | 0.025 |
| 4 | C | 4 | PRO | 0 | -0.007 | -0.002 | 5.310 | -2.837 | -2.840 | -0.001 | -0.003 | 0.007 | 0.000 |
| 5 | C | 5 | ASP | -1 | -0.788 | -0.877 | 9.061 | 24.152 | 24.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | C | 6 | PRO | 0 | -0.062 | -0.028 | 11.027 | -1.719 | -1.719 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | C | 7 | THR | 0 | -0.054 | -0.053 | 13.662 | -2.087 | -2.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | C | 8 | PRO | 0 | -0.045 | -0.021 | 15.989 | -0.439 | -0.439 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | C | 9 | ALA | 0 | 0.037 | 0.020 | 19.698 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | C | 10 | LYS | 1 | 0.896 | 0.937 | 19.988 | -15.417 | -15.417 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | C | 11 | PHE | 0 | 0.011 | 0.008 | 24.146 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | C | 12 | PHE | 0 | 0.011 | 0.002 | 24.622 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | C | 13 | VAL | 0 | -0.003 | 0.002 | 28.842 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | C | 14 | PRO | 0 | -0.020 | 0.005 | 31.093 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | C | 15 | ILE | 0 | 0.019 | -0.004 | 32.453 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | C | 16 | PRO | 0 | -0.021 | -0.006 | 34.573 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | C | 17 | SER | 0 | 0.011 | 0.010 | 36.903 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | C | 18 | HIS | 0 | 0.022 | 0.013 | 32.685 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | C | 19 | SER | 0 | -0.021 | -0.035 | 37.673 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | C | 20 | TRP | 0 | 0.003 | -0.004 | 40.917 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | C | 21 | ALA | 0 | -0.004 | -0.003 | 44.097 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | C | 22 | HIS | 0 | -0.010 | 0.015 | 41.853 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | C | 23 | GLY | 0 | 0.033 | 0.020 | 43.307 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | C | 24 | THR | 0 | -0.014 | -0.022 | 44.507 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | C | 25 | ASN | 0 | -0.056 | -0.026 | 41.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | C | 26 | THR | 0 | 0.048 | 0.032 | 38.612 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | C | 27 | SER | 0 | -0.042 | -0.023 | 34.985 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | C | 28 | GLU | -1 | -0.883 | -0.929 | 36.553 | 8.277 | 8.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | C | 29 | PRO | 0 | -0.037 | -0.020 | 31.160 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | C | 30 | THR | 0 | 0.018 | 0.006 | 33.251 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | C | 31 | ASN | 0 | -0.016 | -0.012 | 31.638 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | C | 32 | THR | 0 | -0.008 | -0.010 | 34.477 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | C | 33 | LEU | 0 | 0.003 | 0.004 | 35.359 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | C | 34 | ARG | 1 | 0.825 | 0.903 | 35.927 | -8.595 | -8.595 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | C | 35 | LEU | 0 | -0.001 | 0.001 | 33.783 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | C | 36 | ASP | -1 | -0.882 | -0.941 | 32.852 | 10.025 | 10.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | C | 37 | GLY | 0 | 0.009 | 0.003 | 30.713 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | C | 38 | GLY | 0 | 0.010 | 0.011 | 30.750 | 0.276 | 0.276 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | C | 39 | VAL | 0 | -0.016 | -0.012 | 32.097 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | C | 40 | VAL | 0 | -0.023 | 0.001 | 34.766 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | C | 41 | GLY | 0 | 0.040 | 0.030 | 37.486 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | C | 42 | VAL | 0 | -0.027 | -0.027 | 41.112 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | C | 43 | GLY | 0 | 0.005 | 0.009 | 44.265 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | C | 44 | ARG | 1 | 0.821 | 0.893 | 46.346 | -6.569 | -6.569 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | C | 45 | SER | 0 | -0.023 | -0.036 | 49.350 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | C | 46 | ASP | -1 | -0.872 | -0.938 | 52.292 | 5.952 | 5.952 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | C | 47 | ASP | -1 | -0.903 | -0.909 | 55.689 | 5.743 | 5.743 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | C | 48 | ILE | 0 | -0.098 | -0.049 | 51.677 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | C | 49 | GLY | 0 | 0.087 | 0.045 | 53.323 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | C | 50 | THR | 0 | 0.002 | -0.014 | 52.033 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | C | 51 | SER | 0 | 0.002 | 0.009 | 51.314 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | C | 52 | ASP | -1 | -0.852 | -0.904 | 53.307 | 5.736 | 5.736 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | C | 53 | THR | 0 | -0.078 | -0.062 | 53.797 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | C | 54 | ALA | 0 | 0.022 | 0.009 | 56.326 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | C | 55 | ILE | 0 | 0.045 | 0.017 | 56.193 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | C | 56 | SER | 0 | 0.018 | 0.002 | 59.310 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | C | 57 | GLY | 0 | 0.026 | 0.021 | 61.031 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | C | 58 | ILE | 0 | -0.011 | -0.002 | 60.296 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | C | 59 | ILE | 0 | -0.043 | -0.030 | 62.961 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | C | 60 | GLY | 0 | 0.031 | 0.026 | 65.428 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | C | 61 | VAL | 0 | -0.044 | -0.015 | 66.265 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | C | 62 | TYR | 0 | -0.014 | -0.015 | 68.818 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | C | 63 | GLY | 0 | -0.010 | -0.007 | 72.361 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | C | 64 | LEU | 0 | -0.035 | -0.016 | 73.278 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | C | 65 | LEU | 0 | -0.022 | -0.012 | 75.556 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | C | 66 | LYS | 1 | 0.828 | 0.900 | 78.460 | -3.945 | -3.945 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | C | 67 | PRO | 0 | -0.010 | -0.005 | 81.457 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | C | 68 | PHE | 0 | -0.026 | -0.013 | 84.513 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | C | 69 | ASP | -1 | -0.806 | -0.887 | 88.081 | 3.610 | 3.610 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | C | 70 | TRP | 0 | 0.015 | 0.004 | 91.550 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | C | 71 | ASN | 0 | 0.074 | 0.022 | 93.848 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | C | 72 | ALA | 0 | 0.049 | 0.021 | 97.516 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | C | 73 | ASN | 0 | -0.004 | -0.010 | 100.126 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | C | 74 | ASP | -1 | -0.832 | -0.890 | 99.011 | 3.270 | 3.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | C | 75 | THR | 0 | -0.006 | -0.020 | 101.611 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | C | 76 | GLY | 0 | -0.012 | 0.015 | 102.681 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | C | 77 | ARG | 1 | 0.752 | 0.831 | 96.207 | -3.349 | -3.349 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | C | 78 | ASN | 0 | -0.048 | -0.030 | 98.019 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | C | 79 | VAL | 0 | 0.004 | -0.001 | 99.016 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | C | 80 | GLY | 0 | 0.004 | -0.002 | 98.257 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | C | 81 | GLY | 0 | -0.014 | -0.022 | 96.357 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | C | 82 | HIS | 0 | 0.018 | 0.024 | 94.436 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | C | 83 | LEU | 0 | -0.043 | -0.027 | 88.246 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | C | 84 | LEU | 0 | -0.028 | -0.007 | 90.096 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | C | 85 | TRP | 0 | 0.031 | 0.005 | 80.341 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | C | 86 | SER | 0 | 0.010 | -0.017 | 84.184 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | C | 87 | MET | 0 | -0.056 | -0.002 | 77.083 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | C | 88 | PRO | 0 | 0.018 | 0.008 | 77.288 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | C | 89 | VAL | 0 | -0.029 | -0.008 | 74.351 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | C | 90 | HIS | 1 | 0.801 | 0.871 | 71.388 | -4.387 | -4.387 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | C | 91 | PRO | 0 | 0.065 | 0.036 | 67.878 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | C | 92 | GLN | 0 | -0.009 | -0.006 | 66.752 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | C | 93 | VAL | 0 | 0.038 | 0.026 | 70.127 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | C | 94 | ASP | -1 | -0.778 | -0.890 | 73.634 | 4.282 | 4.282 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | C | 95 | LYS | 1 | 0.903 | 0.946 | 74.245 | -4.368 | -4.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | C | 96 | ASP | -1 | -0.820 | -0.894 | 76.935 | 3.992 | 3.992 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | C | 97 | GLN | 0 | 0.021 | 0.003 | 78.809 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | C | 98 | VAL | 0 | -0.005 | 0.011 | 74.366 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | C | 99 | ILE | 0 | 0.029 | 0.017 | 77.645 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | C | 100 | GLN | 0 | 0.003 | -0.021 | 76.861 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | C | 101 | VAL | 0 | 0.001 | 0.000 | 76.802 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | C | 102 | MET | 0 | 0.020 | 0.032 | 77.198 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | C | 103 | THR | 0 | -0.034 | -0.031 | 77.121 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | C | 104 | GLN | 0 | 0.005 | -0.004 | 78.517 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | C | 105 | SER | 0 | -0.031 | -0.017 | 76.626 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | C | 106 | LYS | 1 | 0.761 | 0.880 | 73.540 | -4.367 | -4.367 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | C | 107 | LEU | 0 | 0.001 | 0.002 | 69.114 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | C | 108 | THR | 0 | -0.009 | -0.005 | 73.628 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | C | 109 | GLN | 0 | 0.023 | 0.015 | 72.425 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | C | 110 | TYR | 0 | 0.012 | -0.007 | 72.464 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | C | 111 | TYR | 0 | -0.019 | -0.002 | 71.934 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | C | 112 | LEU | 0 | -0.033 | -0.018 | 68.473 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | C | 113 | PRO | 0 | 0.041 | 0.036 | 70.049 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | C | 114 | PRO | 0 | 0.073 | 0.024 | 66.115 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | C | 115 | ILE | 0 | 0.030 | 0.023 | 65.757 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | C | 116 | SER | 0 | 0.043 | 0.035 | 66.423 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | C | 117 | VAL | 0 | -0.040 | -0.003 | 63.365 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | C | 118 | VAL | 0 | 0.047 | 0.018 | 60.306 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | C | 119 | SER | 0 | -0.002 | -0.029 | 61.822 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | C | 120 | SER | 0 | -0.058 | -0.026 | 63.828 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | C | 121 | LEU | 0 | -0.047 | -0.014 | 58.420 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | C | 122 | TYR | 0 | 0.032 | 0.014 | 55.976 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | C | 123 | ALA | 0 | -0.007 | 0.000 | 59.558 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | C | 124 | TYR | 0 | -0.004 | -0.012 | 59.237 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | C | 125 | THR | 0 | -0.042 | -0.026 | 62.012 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | C | 126 | ARG | 1 | 0.840 | 0.897 | 62.388 | -5.180 | -5.180 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | C | 127 | GLY | 0 | 0.046 | 0.034 | 65.973 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | C | 128 | SER | 0 | -0.052 | -0.058 | 68.096 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | C | 129 | ILE | 0 | -0.043 | -0.029 | 70.224 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | C | 130 | LYS | 1 | 0.820 | 0.906 | 69.594 | -4.730 | -4.730 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | C | 131 | TYR | 0 | 0.033 | 0.013 | 74.368 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | C | 132 | LYS | 1 | 0.818 | 0.894 | 77.135 | -4.216 | -4.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | C | 133 | PHE | 0 | -0.013 | -0.017 | 79.123 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | C | 134 | LEU | 0 | 0.012 | 0.021 | 82.229 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | C | 135 | PHE | 0 | -0.016 | -0.024 | 84.179 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | C | 136 | GLY | 0 | 0.020 | 0.017 | 87.938 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | C | 137 | ASN | 0 | -0.024 | -0.018 | 89.858 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | C | 138 | ASN | 0 | 0.017 | 0.010 | 92.136 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | C | 139 | PRO | 0 | 0.009 | -0.010 | 94.379 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | C | 140 | ARG | 1 | 0.853 | 0.913 | 96.268 | -3.321 | -3.321 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | C | 141 | HIS | 0 | -0.006 | 0.015 | 95.560 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | C | 142 | ASN | 0 | -0.022 | -0.030 | 96.315 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | C | 143 | ALA | 0 | 0.060 | 0.031 | 94.368 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | C | 144 | ARG | 1 | 0.912 | 0.953 | 93.486 | -3.428 | -3.428 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | C | 145 | LEU | 0 | 0.021 | 0.021 | 89.904 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | C | 146 | LEU | 0 | -0.012 | 0.013 | 88.638 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | C | 147 | VAL | 0 | -0.018 | -0.016 | 83.857 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | C | 148 | ALA | 0 | 0.028 | 0.003 | 84.362 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | C | 149 | TYR | 0 | 0.027 | 0.013 | 75.728 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | C | 150 | ILE | 0 | -0.016 | -0.014 | 81.487 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | C | 151 | PRO | 0 | 0.035 | 0.012 | 78.019 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | C | 152 | GLY | 0 | 0.025 | 0.014 | 78.221 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | C | 153 | ILE | 0 | -0.062 | -0.025 | 79.476 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | C | 154 | SER | 0 | 0.015 | 0.000 | 78.013 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | C | 155 | SER | 0 | -0.050 | -0.029 | 80.514 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | C | 156 | ASP | -1 | -0.776 | -0.862 | 83.997 | 3.759 | 3.759 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | C | 157 | ASN | 0 | -0.003 | -0.007 | 86.387 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | C | 158 | ARG | 1 | 0.924 | 0.965 | 88.369 | -3.646 | -3.646 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | C | 159 | LEU | 0 | -0.013 | 0.007 | 86.390 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | C | 160 | THR | 0 | 0.058 | 0.018 | 90.190 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | C | 161 | LEU | 0 | 0.070 | 0.050 | 91.780 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | C | 162 | GLU | -1 | -0.858 | -0.923 | 92.719 | 3.348 | 3.348 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | C | 163 | ARG | 1 | 0.833 | 0.903 | 90.391 | -3.504 | -3.504 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | C | 164 | ALA | 0 | 0.029 | 0.011 | 87.996 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | C | 165 | ARG | 1 | 0.855 | 0.920 | 87.733 | -3.391 | -3.391 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | C | 166 | ASN | 0 | -0.057 | -0.015 | 88.967 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | C | 167 | SER | 0 | -0.010 | -0.015 | 83.769 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | C | 168 | ALA | 0 | 0.019 | 0.025 | 80.913 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | C | 169 | HIS | 0 | -0.043 | -0.030 | 82.858 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | C | 170 | VAL | 0 | 0.021 | 0.025 | 83.176 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | C | 171 | VAL | 0 | 0.008 | -0.016 | 86.085 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | C | 172 | PHE | 0 | 0.031 | 0.039 | 87.224 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | C | 173 | SER | 0 | -0.050 | -0.051 | 89.099 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | C | 174 | LEU | 0 | -0.011 | 0.007 | 90.795 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | C | 175 | ASN | 0 | 0.014 | 0.007 | 92.554 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | C | 176 | GLU | -1 | -0.867 | -0.913 | 93.463 | 3.397 | 3.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | C | 177 | VAL | 0 | -0.006 | 0.011 | 87.499 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | C | 178 | SER | 0 | 0.024 | -0.005 | 87.461 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | C | 179 | GLU | -1 | -0.824 | -0.902 | 80.887 | 4.118 | 4.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | C | 180 | PHE | 0 | -0.029 | -0.008 | 82.867 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | C | 181 | VAL | 0 | 0.018 | -0.001 | 76.706 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | C | 182 | PHE | 0 | -0.023 | -0.008 | 79.472 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | C | 183 | THR | 0 | 0.028 | -0.003 | 73.807 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | C | 184 | VAL | 0 | -0.038 | 0.006 | 75.240 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | C | 185 | PRO | 0 | 0.035 | 0.012 | 74.314 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | C | 186 | TYR | 0 | -0.020 | -0.018 | 68.339 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | C | 187 | ILE | 0 | -0.064 | -0.031 | 72.468 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | C | 188 | THR | 0 | -0.008 | -0.013 | 70.582 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | C | 189 | ASP | -1 | -0.865 | -0.931 | 72.334 | 4.534 | 4.534 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | C | 190 | THR | 0 | 0.001 | 0.002 | 66.630 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | C | 191 | MET | 0 | 0.002 | -0.004 | 61.757 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | C | 192 | TRP | 0 | -0.012 | 0.002 | 59.538 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | C | 193 | TRP | 0 | 0.002 | -0.006 | 65.042 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | C | 194 | PRO | 0 | 0.009 | -0.006 | 65.214 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | C | 195 | ARG | 1 | 0.820 | 0.932 | 61.677 | -5.270 | -5.270 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | C | 196 | LYS | 1 | 0.812 | 0.913 | 67.049 | -4.335 | -4.335 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | C | 197 | TYR | 0 | 0.023 | -0.021 | 69.145 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | C | 198 | GLY | 0 | 0.017 | 0.000 | 65.246 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | C | 199 | GLY | 0 | 0.054 | 0.018 | 64.231 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | C | 200 | PRO | 0 | 0.017 | 0.011 | 64.084 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | C | 201 | GLN | 0 | -0.023 | -0.030 | 66.812 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | C | 202 | ALA | 0 | 0.038 | 0.031 | 69.364 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | C | 203 | ALA | 0 | -0.009 | -0.003 | 63.670 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | C | 204 | GLY | 0 | -0.003 | -0.002 | 64.128 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | C | 205 | GLU | -1 | -0.834 | -0.900 | 65.117 | 4.624 | 4.624 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | C | 206 | PHE | 0 | 0.047 | 0.025 | 68.517 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | C | 207 | VAL | 0 | -0.010 | -0.002 | 70.590 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | C | 208 | ALA | 0 | -0.006 | 0.007 | 72.293 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | C | 209 | PRO | 0 | 0.020 | 0.032 | 72.505 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | C | 210 | SER | 0 | 0.029 | -0.003 | 75.191 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | C | 211 | TYR | 0 | -0.058 | -0.031 | 77.983 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | C | 212 | ILE | 0 | -0.005 | 0.011 | 79.493 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | C | 213 | CYS | 0 | -0.062 | -0.026 | 81.746 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | C | 214 | MET | 0 | 0.030 | 0.030 | 85.414 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | C | 215 | PHE | 0 | 0.027 | 0.003 | 87.863 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | C | 216 | ILE | 0 | -0.003 | 0.013 | 91.473 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | C | 217 | LEU | 0 | -0.038 | -0.016 | 93.909 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | C | 218 | ASN | 0 | -0.033 | -0.033 | 96.030 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | C | 219 | PRO | 0 | 0.030 | 0.014 | 97.105 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | C | 220 | LEU | 0 | -0.026 | 0.002 | 95.420 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | C | 221 | VAL | 0 | -0.016 | -0.001 | 98.222 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | C | 222 | ALA | 0 | 0.031 | -0.009 | 99.599 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | C | 223 | MET | 0 | -0.034 | -0.006 | 101.755 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | C | 224 | GLU | -1 | -0.795 | -0.885 | 104.219 | 3.077 | 3.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | C | 225 | SER | 0 | -0.073 | -0.054 | 105.168 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | C | 226 | VAL | 0 | -0.055 | -0.031 | 99.191 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | C | 227 | PRO | 0 | 0.019 | 0.011 | 97.340 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | C | 228 | SER | 0 | 0.000 | 0.007 | 98.905 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | C | 229 | ILE | 0 | -0.044 | -0.019 | 94.097 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | C | 230 | VAL | 0 | -0.006 | 0.013 | 91.170 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | C | 231 | THR | 0 | 0.009 | -0.019 | 87.533 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | C | 232 | ILE | 0 | -0.051 | -0.019 | 85.619 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | C | 233 | VAL | 0 | 0.024 | -0.002 | 81.033 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | C | 234 | PRO | 0 | 0.015 | 0.015 | 80.540 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | C | 235 | MET | 0 | -0.043 | -0.012 | 76.465 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | C | 236 | ILE | 0 | -0.036 | -0.014 | 72.382 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | C | 237 | ALA | 0 | 0.040 | 0.026 | 70.433 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | C | 238 | ALA | 0 | 0.016 | 0.004 | 66.926 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | C | 239 | GLY | 0 | 0.015 | 0.004 | 68.901 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | C | 240 | ASP | -1 | -0.875 | -0.933 | 66.730 | 4.784 | 4.784 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | C | 241 | ASP | -1 | -0.823 | -0.888 | 65.587 | 4.795 | 4.795 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | C | 242 | PHE | 0 | -0.041 | -0.015 | 64.458 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | C | 243 | GLU | -1 | -0.802 | -0.867 | 60.741 | 5.428 | 5.428 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | C | 244 | VAL | 0 | -0.032 | -0.031 | 58.819 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | C | 245 | ALA | 0 | -0.011 | 0.012 | 58.089 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | C | 246 | VAL | 0 | 0.006 | -0.005 | 54.693 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | C | 247 | PRO | 0 | 0.012 | 0.013 | 52.906 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | C | 248 | ALA | 0 | -0.015 | -0.010 | 55.784 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | C | 249 | GLN | 0 | -0.009 | -0.004 | 57.600 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | C | 250 | PRO | 0 | 0.034 | 0.017 | 58.041 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | C | 251 | ALA | 0 | -0.031 | 0.015 | 61.198 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | C | 252 | VAL | 0 | -0.027 | -0.020 | 63.476 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | C | 253 | GLY | 0 | 0.028 | 0.006 | 63.392 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | C | 254 | LEU | 0 | -0.018 | -0.005 | 60.854 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | C | 255 | SER | 0 | 0.027 | 0.013 | 65.022 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | C | 256 | ARG | 1 | 0.939 | 0.968 | 60.851 | -5.273 | -5.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | C | 257 | ASN | 0 | 0.007 | -0.005 | 65.687 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | C | 258 | ILE | 0 | 0.033 | 0.024 | 67.892 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | C | 259 | ASP | -1 | -0.810 | -0.889 | 69.429 | 4.482 | 4.482 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | C | 260 | VAL | 0 | -0.007 | -0.004 | 69.045 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | C | 261 | ILE | 0 | -0.029 | -0.005 | 68.535 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | C | 262 | TYR | 0 | 0.038 | 0.014 | 70.254 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | C | 263 | PRO | 0 | 0.010 | 0.007 | 70.738 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | C | 264 | LYS | 1 | 0.937 | 0.926 | 69.978 | -4.661 | -4.661 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | C | 265 | ASP | -1 | -0.869 | -0.910 | 71.563 | 4.499 | 4.499 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | C | 266 | SER | 0 | -0.059 | -0.031 | 74.614 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | C | 267 | ILE | 0 | -0.034 | -0.004 | 76.306 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | C | 268 | ILE | 0 | -0.018 | 0.002 | 78.942 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | C | 269 | SER | 0 | -0.006 | -0.007 | 82.727 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | C | 270 | PHE | 0 | 0.026 | 0.011 | 85.646 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | C | 271 | LYS | 1 | 0.870 | 0.924 | 88.673 | -3.544 | -3.544 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | C | 272 | SER | 0 | 0.010 | -0.001 | 89.750 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | C | 273 | GLY | 0 | 0.008 | 0.003 | 91.287 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | C | 274 | TYR | 0 | -0.048 | -0.019 | 93.323 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | C | 275 | PHE | 0 | -0.013 | -0.013 | 88.918 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | C | 276 | PRO | 0 | 0.003 | -0.001 | 92.378 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | C | 277 | VAL | 0 | -0.020 | -0.002 | 91.420 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | C | 278 | TYR | 0 | -0.064 | -0.037 | 94.085 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | C | 279 | VAL | 0 | -0.022 | -0.007 | 94.553 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | C | 280 | GLY | 0 | 0.075 | 0.023 | 97.013 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | C | 281 | SER | 0 | 0.001 | 0.020 | 99.999 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | C | 282 | TRP | 0 | 0.028 | 0.000 | 100.582 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | C | 283 | HIS | 0 | 0.077 | 0.047 | 104.764 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | C | 284 | SER | 0 | -0.031 | -0.016 | 103.760 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | C | 285 | PHE | 0 | -0.027 | -0.010 | 97.078 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | C | 286 | PHE | 0 | -0.021 | -0.023 | 98.988 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | C | 287 | ASP | -1 | -0.799 | -0.887 | 104.379 | 3.044 | 3.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | C | 288 | SER | 0 | -0.044 | -0.011 | 104.953 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | C | 289 | THR | 0 | -0.019 | -0.014 | 103.950 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | C | 290 | LYS | 1 | 0.717 | 0.869 | 99.511 | -3.258 | -3.258 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | C | 291 | ALA | 0 | 0.022 | 0.017 | 96.880 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | C | 292 | ILE | 0 | -0.018 | -0.025 | 95.461 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | C | 293 | LEU | 0 | -0.018 | -0.001 | 90.935 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | C | 294 | ARG | 1 | 0.808 | 0.880 | 95.277 | -3.198 | -3.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | C | 295 | TYR | 0 | 0.025 | 0.010 | 96.159 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | C | 296 | GLY | 0 | 0.006 | 0.008 | 97.770 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | C | 297 | ALA | 0 | 0.042 | 0.026 | 101.546 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | C | 298 | VAL | 0 | 0.000 | 0.016 | 104.788 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | C | 299 | SER | 0 | 0.023 | 0.007 | 104.846 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | C | 300 | ASP | -1 | -0.813 | -0.920 | 103.294 | 3.108 | 3.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | C | 301 | HIS | 0 | -0.083 | -0.026 | 101.073 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | C | 302 | ILE | 0 | 0.009 | -0.003 | 96.765 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | C | 303 | ALA | 0 | 0.001 | -0.006 | 93.392 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | C | 304 | GLN | 0 | 0.031 | 0.025 | 93.365 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | C | 305 | LEU | 0 | 0.005 | 0.006 | 87.424 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | C | 306 | GLY | 0 | -0.005 | 0.002 | 86.851 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | C | 307 | ASN | 0 | -0.019 | -0.019 | 82.840 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | C | 308 | ILE | 0 | 0.008 | 0.002 | 83.376 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | C | 309 | PRO | 0 | -0.009 | 0.012 | 78.981 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | C | 310 | ALA | 0 | 0.040 | -0.004 | 80.592 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | C | 311 | ASN | 0 | -0.014 | 0.001 | 75.029 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | C | 312 | VAL | 0 | -0.043 | -0.008 | 77.082 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | C | 313 | ASN | 0 | -0.015 | -0.032 | 78.473 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | C | 314 | ARG | 1 | 0.883 | 0.929 | 80.294 | -3.712 | -3.712 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | C | 315 | LYS | 1 | 0.883 | 0.930 | 81.486 | -4.033 | -4.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | C | 316 | ALA | 0 | -0.022 | 0.014 | 80.501 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | C | 317 | PHE | 0 | -0.021 | -0.011 | 80.992 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | C | 318 | TRP | 0 | 0.034 | -0.003 | 81.069 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | C | 319 | ILE | 0 | 0.033 | 0.018 | 78.564 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | C | 320 | VAL | 0 | -0.026 | -0.005 | 81.289 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | C | 321 | VAL | 0 | -0.011 | -0.006 | 76.900 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | C | 322 | GLY | 0 | 0.019 | 0.010 | 78.903 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | C | 323 | ASP | -1 | -0.834 | -0.913 | 81.021 | 3.875 | 3.875 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | C | 324 | THR | 0 | -0.004 | -0.022 | 84.411 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | C | 325 | ILE | 0 | -0.015 | 0.006 | 87.084 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | C | 326 | LYS | 1 | 0.931 | 0.966 | 89.802 | -3.594 | -3.594 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | C | 327 | PHE | 0 | 0.034 | 0.000 | 91.609 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | C | 328 | LYS | 1 | 0.905 | 0.943 | 95.456 | -3.279 | -3.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | C | 329 | THR | 0 | -0.020 | -0.026 | 95.030 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | C | 330 | LYS | 1 | 0.876 | 0.923 | 97.829 | -3.170 | -3.170 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | C | 331 | LEU | 0 | -0.032 | -0.012 | 94.853 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | C | 332 | ASP | -1 | -0.799 | -0.875 | 98.129 | 3.200 | 3.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | C | 333 | LYS | 1 | 0.797 | 0.877 | 97.575 | -3.330 | -3.330 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | C | 334 | ILE | 0 | 0.022 | 0.026 | 94.482 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | C | 335 | ASN | 0 | 0.002 | -0.005 | 97.457 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | C | 336 | GLY | 0 | 0.008 | 0.003 | 97.072 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | C | 337 | THR | 0 | -0.025 | 0.001 | 93.047 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | C | 338 | GLU | -1 | -0.745 | -0.852 | 92.437 | 3.361 | 3.361 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | C | 339 | TRP | 0 | -0.023 | -0.011 | 88.271 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | C | 340 | PHE | 0 | 0.013 | 0.004 | 93.498 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | C | 341 | ILE | 0 | -0.009 | -0.003 | 92.385 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | C | 342 | PRO | 0 | 0.015 | 0.017 | 94.539 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | C | 343 | GLU | -1 | -0.890 | -0.946 | 97.057 | 3.209 | 3.209 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | C | 344 | GLY | 0 | 0.013 | 0.009 | 96.966 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | C | 345 | GLU | -1 | -0.921 | -0.950 | 94.515 | 3.409 | 3.409 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | C | 346 | TYR | 0 | -0.031 | -0.033 | 91.032 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | C | 347 | THR | 0 | -0.016 | -0.013 | 87.372 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | C | 348 | LEU | 0 | -0.032 | 0.001 | 88.080 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | C | 349 | GLY | 0 | -0.004 | 0.019 | 84.918 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | C | 350 | TYR | 0 | -0.033 | -0.050 | 81.046 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | C | 351 | GLY | 0 | 0.014 | -0.006 | 85.683 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | C | 352 | VAL | 0 | -0.023 | -0.005 | 86.423 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | C | 353 | VAL | 0 | 0.004 | 0.003 | 86.522 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | C | 354 | TRP | 0 | 0.045 | 0.032 | 89.412 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | C | 355 | ARG | 1 | 0.924 | 0.940 | 86.414 | -3.692 | -3.692 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | C | 356 | ASP | -1 | -0.839 | -0.894 | 93.808 | 3.269 | 3.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | C | 357 | GLY | 0 | 0.040 | 0.023 | 97.129 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | C | 358 | ALA | 0 | -0.041 | -0.018 | 94.422 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | C | 359 | TYR | 0 | -0.025 | -0.001 | 93.926 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | C | 360 | ALA | 0 | -0.010 | -0.017 | 90.682 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | C | 361 | TYR | 0 | -0.035 | -0.032 | 92.714 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | C | 362 | MET | 0 | -0.007 | 0.007 | 86.374 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | C | 363 | VAL | 0 | 0.013 | 0.015 | 91.563 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | C | 364 | PRO | 0 | -0.004 | 0.006 | 90.766 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | C | 365 | TYR | 0 | 0.025 | -0.027 | 88.582 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | C | 366 | PRO | 0 | 0.006 | 0.000 | 88.674 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | C | 367 | LEU | 0 | 0.016 | 0.007 | 82.130 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | C | 368 | THR | 0 | 0.000 | -0.003 | 85.350 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | C | 369 | PRO | 0 | 0.060 | 0.023 | 82.347 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | C | 370 | LEU | 0 | -0.023 | 0.008 | 84.245 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | C | 371 | GLY | 0 | 0.024 | 0.011 | 87.621 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | C | 372 | GLU | -1 | -0.871 | -0.910 | 80.513 | 4.063 | 4.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | C | 373 | LYS | 1 | 0.846 | 0.909 | 82.436 | -3.939 | -3.939 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | C | 374 | ILE | 0 | 0.010 | 0.006 | 85.712 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | C | 375 | ALA | 0 | 0.000 | 0.012 | 86.318 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | C | 376 | GLN | 0 | 0.023 | 0.003 | 81.720 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | C | 377 | TYR | 0 | 0.006 | 0.013 | 85.499 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | C | 378 | THR | 0 | 0.023 | -0.009 | 88.403 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | C | 379 | ALA | 0 | 0.018 | 0.011 | 86.101 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | C | 380 | SER | 0 | -0.042 | -0.033 | 85.854 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | C | 381 | LEU | 0 | -0.030 | 0.000 | 87.622 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | C | 382 | LEU | 0 | -0.007 | 0.000 | 90.309 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | C | 383 | ALA | 0 | -0.030 | -0.009 | 86.635 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | C | 384 | SER | 0 | -0.011 | -0.001 | 88.677 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | C | 385 | ASN | 0 | -0.043 | -0.020 | 90.739 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | C | 386 | THR | 0 | -0.007 | -0.001 | 93.315 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | C | 387 | ALA | 0 | 0.032 | 0.017 | 95.773 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | C | 388 | ILE | 0 | 0.073 | 0.026 | 99.055 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | C | 389 | SER | 0 | 0.001 | -0.007 | 100.087 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | C | 390 | GLN | 0 | -0.014 | -0.017 | 98.635 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | C | 391 | ILE | 0 | 0.022 | 0.014 | 94.651 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | C | 392 | ARG | 1 | 0.885 | 0.953 | 97.259 | -3.103 | -3.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | C | 393 | PRO | 0 | -0.012 | -0.017 | 98.219 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | C | 394 | TYR | 0 | 0.040 | 0.018 | 93.162 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | C | 395 | ILE | 0 | 0.004 | 0.025 | 93.941 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | C | 396 | PRO | 0 | 0.028 | 0.012 | 93.526 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | C | 397 | ASP | -1 | -0.793 | -0.896 | 96.642 | 3.227 | 3.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | C | 398 | TYR | 0 | -0.062 | -0.057 | 99.700 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | C | 399 | ILE | 0 | -0.034 | -0.002 | 100.961 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | C | 400 | VAL | 0 | -0.011 | -0.015 | 101.927 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | C | 401 | ASP | -1 | -0.824 | -0.866 | 101.330 | 3.217 | 3.217 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | C | 402 | SER | 0 | -0.074 | -0.035 | 96.286 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | C | 403 | ALA | 0 | 0.020 | 0.009 | 95.512 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | C | 404 | ALA | 0 | 0.026 | 0.017 | 95.231 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | C | 405 | SER | 0 | -0.037 | -0.041 | 89.849 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | C | 406 | LYS | 1 | 0.821 | 0.887 | 84.887 | -3.862 | -3.862 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | C | 407 | ASP | -1 | -0.800 | -0.889 | 87.552 | 3.711 | 3.711 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | C | 408 | ASN | 0 | -0.025 | 0.000 | 86.381 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | C | 409 | ILE | 0 | -0.022 | -0.009 | 85.693 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | C | 410 | LEU | 0 | -0.015 | -0.007 | 80.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | C | 411 | TRP | 0 | 0.022 | 0.003 | 82.107 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | C | 412 | SER | 0 | 0.039 | 0.019 | 76.728 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | C | 413 | PRO | 0 | -0.035 | -0.001 | 77.172 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | C | 414 | ILE | 0 | -0.022 | -0.019 | 76.507 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | C | 415 | GLU | -1 | -0.797 | -0.877 | 77.428 | 4.042 | 4.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | C | 416 | ASP | -1 | -0.796 | -0.871 | 77.109 | 4.319 | 4.319 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | C | 417 | ARG | 1 | 0.667 | 0.816 | 72.085 | -4.542 | -4.542 | 0.000 | 0.000 | 0.000 | 0.000 |