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: R9378
Calculation Name: 1B35-C-Xray372
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1B35
Chain ID: C
UniProt ID: P13418
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 | OptHSide |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Structure Preparation |
| Water | No |
| Procedure | Auto-FMO protocol ver. 2.20220422 |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 282 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -3426187.747559 |
|---|---|
| FMO2-HF: Nuclear repulsion | 3312767.990735 |
| FMO2-HF: Total energy | -113419.756824 |
| FMO2-MP2: Total energy | -113744.878582 |
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:SER)
Summations of interaction energy for
fragment #1(C:1:SER)
| 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. |
| -4.265 | -0.086 | 0.12 | -2.173 | -2.125 | 0.011 |
Interaction energy analysis for fragmet #1(C:1:SER)
| 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 | 0.015 | 0.015 | 3.030 | -3.682 | 0.472 | 0.121 | -2.169 | -2.106 | 0.011 |
| 4 | C | 4 | THR | 0 | 0.021 | 0.010 | 5.267 | -0.635 | -0.610 | -0.001 | -0.004 | -0.019 | 0.000 |
| 5 | C | 5 | VAL | 0 | -0.004 | -0.010 | 8.867 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | C | 6 | GLN | 0 | 0.004 | -0.004 | 10.050 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | C | 7 | GLY | 0 | 0.005 | 0.016 | 13.840 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | C | 8 | LYS | 1 | 0.963 | 0.979 | 15.727 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | C | 9 | ILE | 0 | 0.044 | 0.029 | 18.800 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | C | 10 | GLY | 0 | -0.088 | -0.044 | 21.127 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | C | 11 | GLU | -1 | -0.871 | -0.922 | 23.638 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | C | 12 | CYS | 0 | -0.043 | -0.040 | 26.606 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | C | 13 | LYS | 1 | 0.960 | 0.993 | 28.621 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | C | 14 | LEU | 0 | 0.042 | 0.014 | 28.338 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | C | 15 | ARG | 1 | 0.907 | 0.945 | 32.112 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | C | 16 | GLY | 0 | 0.035 | 0.028 | 34.078 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | C | 17 | GLN | 0 | 0.052 | 0.002 | 36.606 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | C | 18 | GLY | 0 | -0.043 | -0.022 | 36.815 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | C | 19 | ARG | 1 | 0.962 | 0.985 | 36.553 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | C | 20 | MET | 0 | 0.034 | 0.034 | 40.722 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | C | 21 | ALA | 0 | -0.007 | 0.000 | 43.006 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | C | 22 | ASN | 0 | -0.082 | -0.039 | 43.049 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | C | 23 | PHE | 0 | 0.042 | 0.021 | 44.767 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | C | 24 | ASP | -1 | -0.895 | -0.932 | 42.288 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | C | 25 | GLY | 0 | -0.029 | -0.029 | 38.525 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | C | 26 | MET | 0 | -0.034 | -0.032 | 31.661 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | C | 27 | ASP | -1 | -0.803 | -0.876 | 36.526 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | C | 28 | MET | 0 | -0.085 | -0.053 | 30.781 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | C | 29 | SER | 0 | -0.033 | -0.025 | 33.992 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | C | 30 | HIS | 0 | -0.020 | 0.002 | 29.838 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | C | 31 | LYS | 1 | 0.858 | 0.914 | 33.569 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | C | 32 | MET | 0 | 0.026 | 0.008 | 34.785 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | C | 33 | ALA | 0 | -0.029 | -0.001 | 37.269 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | C | 34 | LEU | 0 | 0.035 | 0.014 | 33.332 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | C | 35 | SER | 0 | 0.024 | 0.021 | 33.018 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | C | 36 | SER | 0 | 0.006 | -0.001 | 29.141 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | C | 37 | THR | 0 | 0.010 | -0.028 | 31.592 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | C | 38 | ASN | 0 | -0.100 | -0.038 | 33.981 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | C | 39 | GLU | -1 | -0.863 | -0.933 | 37.566 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | C | 40 | ILE | 0 | -0.042 | -0.004 | 40.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | C | 41 | GLU | -1 | -0.912 | -0.951 | 43.609 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | C | 42 | THR | 0 | -0.028 | -0.017 | 44.979 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | C | 43 | ASN | 0 | -0.015 | -0.013 | 47.796 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | C | 44 | GLU | -1 | -0.912 | -0.964 | 50.508 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | C | 45 | GLY | 0 | 0.004 | -0.007 | 54.237 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | C | 46 | LEU | 0 | -0.038 | -0.006 | 50.466 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | C | 47 | ALA | 0 | -0.003 | -0.009 | 55.056 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | C | 48 | GLY | 0 | -0.013 | 0.002 | 58.220 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | C | 49 | THR | 0 | -0.037 | -0.012 | 58.994 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | C | 50 | SER | 0 | 0.035 | 0.013 | 56.889 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | C | 51 | LEU | 0 | -0.046 | -0.021 | 56.236 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | C | 52 | ASP | -1 | -0.795 | -0.895 | 53.688 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | C | 53 | VAL | 0 | -0.055 | -0.045 | 55.843 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | C | 54 | MET | 0 | -0.022 | -0.012 | 52.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | C | 55 | ASP | -1 | -0.789 | -0.855 | 55.898 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | C | 56 | LEU | 0 | 0.058 | 0.009 | 56.726 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | C | 57 | SER | 0 | -0.031 | -0.028 | 59.353 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | C | 58 | ARG | 1 | 0.842 | 0.933 | 59.199 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | C | 59 | VAL | 0 | -0.003 | 0.007 | 60.365 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | C | 60 | LEU | 0 | -0.020 | -0.024 | 62.319 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | C | 61 | SER | 0 | -0.048 | -0.029 | 65.076 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | C | 62 | ILE | 0 | 0.012 | 0.021 | 65.013 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | C | 63 | PRO | 0 | -0.007 | 0.006 | 68.845 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | C | 64 | ASN | 0 | -0.032 | -0.036 | 69.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | C | 65 | TYR | 0 | 0.029 | 0.009 | 73.677 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | C | 66 | TRP | 0 | 0.004 | -0.011 | 74.609 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | C | 67 | ASP | -1 | -0.832 | -0.923 | 77.846 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | C | 68 | ARG | 1 | 0.819 | 0.894 | 81.540 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | C | 69 | PHE | 0 | 0.017 | 0.019 | 85.101 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | C | 70 | THR | 0 | 0.002 | -0.001 | 88.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | C | 71 | TRP | 0 | -0.007 | 0.006 | 92.025 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | C | 72 | LYS | 1 | 0.866 | 0.908 | 94.212 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | C | 73 | THR | 0 | -0.022 | -0.018 | 97.907 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | C | 74 | SER | 0 | -0.020 | -0.012 | 100.824 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | C | 75 | ASP | -1 | -0.848 | -0.906 | 96.492 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | C | 76 | VAL | 0 | 0.027 | 0.008 | 99.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | C | 77 | ILE | 0 | 0.013 | 0.007 | 98.782 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | C | 78 | ASN | 0 | -0.021 | -0.016 | 95.856 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | C | 79 | THR | 0 | 0.000 | 0.010 | 94.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | C | 80 | VAL | 0 | -0.029 | -0.024 | 89.425 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | C | 81 | LEU | 0 | -0.025 | -0.010 | 90.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | C | 82 | TRP | 0 | -0.037 | -0.035 | 80.379 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | C | 83 | ASP | -1 | -0.727 | -0.833 | 84.314 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | C | 84 | ASN | 0 | -0.022 | -0.006 | 78.179 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | C | 85 | TYR | 0 | 0.065 | 0.029 | 76.863 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | C | 86 | VAL | 0 | -0.021 | -0.005 | 74.017 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | C | 87 | SER | 0 | 0.028 | 0.005 | 71.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | C | 88 | PRO | 0 | 0.083 | 0.030 | 67.369 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | C | 89 | PHE | 0 | -0.040 | -0.009 | 66.875 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | C | 90 | LYS | 1 | 0.822 | 0.935 | 70.171 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | C | 91 | VAL | 0 | 0.024 | 0.003 | 69.265 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | C | 92 | LYS | 1 | 0.863 | 0.952 | 72.648 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | C | 93 | PRO | 0 | 0.065 | 0.032 | 75.920 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | C | 94 | TYR | 0 | -0.033 | -0.015 | 77.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | C | 95 | SER | 0 | 0.006 | -0.008 | 78.863 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | C | 96 | ALA | 0 | 0.030 | 0.014 | 82.389 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | C | 97 | THR | 0 | -0.011 | 0.000 | 84.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | C | 98 | ILE | 0 | -0.026 | 0.006 | 78.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | C | 99 | THR | 0 | 0.003 | -0.017 | 79.318 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | C | 100 | ASP | -1 | -0.812 | -0.865 | 75.964 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | C | 101 | ARG | 1 | 0.823 | 0.889 | 74.047 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | C | 102 | PHE | 0 | -0.018 | -0.024 | 72.091 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | C | 103 | ARG | 1 | 0.883 | 0.955 | 73.394 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | C | 104 | CYS | 0 | -0.029 | -0.037 | 69.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | C | 105 | THR | 0 | 0.041 | 0.036 | 70.665 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | C | 106 | HIS | 0 | 0.096 | 0.048 | 64.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | C | 107 | MET | 0 | -0.023 | 0.006 | 65.738 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | C | 108 | GLY | 0 | 0.015 | 0.022 | 66.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | C | 109 | LYS | 1 | 0.942 | 0.964 | 61.736 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | C | 110 | VAL | 0 | 0.027 | 0.020 | 60.889 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | C | 111 | ALA | 0 | 0.041 | 0.020 | 62.390 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | C | 112 | ASN | 0 | -0.051 | -0.030 | 64.151 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | C | 113 | ALA | 0 | -0.018 | -0.013 | 59.439 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | C | 114 | PHE | 0 | 0.023 | 0.018 | 56.593 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | C | 115 | THR | 0 | -0.039 | -0.022 | 59.106 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | C | 116 | TYR | 0 | -0.037 | -0.031 | 59.530 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | C | 117 | TRP | 0 | 0.011 | -0.009 | 62.313 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | C | 118 | ARG | 1 | 0.834 | 0.905 | 62.725 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | C | 119 | GLY | 0 | 0.024 | 0.022 | 65.458 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | C | 120 | SER | 0 | -0.053 | -0.042 | 67.383 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | C | 121 | MET | 0 | -0.029 | -0.016 | 69.583 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | C | 122 | VAL | 0 | -0.004 | 0.005 | 71.855 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | C | 123 | TYR | 0 | -0.018 | -0.022 | 74.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | C | 124 | THR | 0 | 0.023 | 0.007 | 77.270 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | C | 125 | PHE | 0 | -0.029 | -0.006 | 79.834 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | C | 126 | LYS | 1 | 0.844 | 0.893 | 78.834 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | C | 127 | PHE | 0 | -0.005 | -0.018 | 85.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | C | 128 | VAL | 0 | 0.020 | 0.016 | 87.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | C | 129 | LYS | 1 | 0.848 | 0.930 | 90.210 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | C | 130 | THR | 0 | -0.006 | -0.003 | 93.673 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | C | 131 | GLN | 0 | -0.038 | -0.025 | 95.197 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | C | 132 | TYR | 0 | 0.004 | 0.004 | 97.492 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | C | 133 | HIS | 0 | 0.055 | 0.030 | 97.101 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | C | 134 | SER | 0 | -0.056 | -0.039 | 98.222 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | C | 135 | GLY | 0 | 0.091 | 0.043 | 97.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | C | 136 | ARG | 1 | 0.843 | 0.940 | 95.101 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | C | 137 | LEU | 0 | 0.014 | 0.021 | 90.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | C | 138 | ARG | 1 | 0.795 | 0.878 | 90.406 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | C | 139 | ILE | 0 | 0.017 | 0.011 | 84.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | C | 140 | SER | 0 | -0.023 | -0.018 | 84.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | C | 141 | PHE | 0 | 0.025 | 0.019 | 76.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | C | 142 | ILE | 0 | -0.008 | -0.015 | 81.905 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | C | 143 | PRO | 0 | -0.027 | -0.022 | 78.133 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | C | 144 | TYR | 0 | -0.068 | -0.068 | 73.544 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | C | 145 | TYR | 0 | 0.002 | 0.005 | 79.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | C | 146 | TYR | 0 | -0.035 | -0.051 | 76.496 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | C | 147 | ASN | 0 | 0.047 | 0.004 | 82.497 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | C | 148 | THR | 0 | 0.041 | 0.000 | 85.722 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | C | 149 | THR | 0 | -0.028 | 0.005 | 86.240 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | C | 150 | ILE | 0 | -0.008 | -0.001 | 80.682 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | C | 151 | SER | 0 | -0.044 | -0.010 | 83.742 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | C | 152 | THR | 0 | 0.025 | 0.009 | 85.787 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | C | 153 | GLY | 0 | 0.015 | 0.018 | 88.583 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | C | 154 | THR | 0 | 0.001 | 0.012 | 90.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | C | 155 | PRO | 0 | 0.020 | 0.012 | 87.527 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | C | 156 | ASP | -1 | -0.776 | -0.853 | 89.728 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | C | 157 | VAL | 0 | 0.065 | 0.012 | 90.460 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | C | 158 | SER | 0 | -0.018 | -0.026 | 91.036 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | C | 159 | ARG | 1 | 0.838 | 0.909 | 87.945 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | C | 160 | THR | 0 | -0.037 | 0.008 | 85.817 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | C | 161 | GLN | 0 | 0.004 | 0.013 | 81.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | C | 162 | LYS | 1 | 0.856 | 0.895 | 85.205 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | C | 163 | ILE | 0 | 0.025 | 0.030 | 84.192 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | C | 164 | VAL | 0 | -0.011 | -0.011 | 87.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | C | 165 | VAL | 0 | 0.004 | 0.008 | 87.975 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | C | 166 | ASP | -1 | -0.780 | -0.884 | 91.279 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | C | 167 | LEU | 0 | -0.018 | 0.001 | 89.881 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | C | 168 | ARG | 1 | 0.872 | 0.910 | 93.974 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | C | 169 | THR | 0 | 0.062 | 0.023 | 93.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | C | 170 | SER | 0 | -0.013 | -0.002 | 89.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | C | 171 | THR | 0 | 0.029 | 0.002 | 88.313 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | C | 172 | ALA | 0 | 0.011 | 0.021 | 83.604 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | C | 173 | VAL | 0 | -0.008 | 0.004 | 84.200 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | C | 174 | SER | 0 | -0.031 | -0.015 | 78.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | C | 175 | PHE | 0 | 0.026 | 0.015 | 78.796 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | C | 176 | THR | 0 | 0.022 | 0.012 | 72.626 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | C | 177 | VAL | 0 | -0.030 | -0.010 | 75.131 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | C | 178 | PRO | 0 | 0.014 | 0.001 | 72.492 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | C | 179 | TYR | 0 | -0.001 | 0.000 | 67.976 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | C | 180 | ILE | 0 | -0.007 | -0.008 | 71.310 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | C | 181 | GLY | 0 | 0.067 | 0.036 | 71.335 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | C | 182 | SER | 0 | -0.021 | 0.001 | 71.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | C | 183 | ARG | 1 | 0.900 | 0.955 | 66.327 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | C | 184 | PRO | 0 | 0.016 | 0.002 | 62.940 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | C | 185 | TRP | 0 | 0.008 | 0.013 | 59.238 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | C | 186 | LEU | 0 | -0.003 | 0.017 | 65.175 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | C | 187 | TYR | 0 | 0.029 | 0.006 | 63.540 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | C | 188 | CYS | 0 | -0.055 | -0.003 | 63.741 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | C | 189 | ILE | 0 | -0.005 | -0.019 | 66.606 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | C | 190 | ARG | 1 | 0.819 | 0.909 | 69.371 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | C | 191 | PRO | 0 | 0.055 | 0.017 | 72.252 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | C | 192 | GLU | -1 | -0.818 | -0.898 | 75.562 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | C | 193 | SER | 0 | -0.060 | -0.033 | 72.329 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | C | 194 | SER | 0 | 0.075 | 0.027 | 74.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | C | 195 | TRP | 0 | -0.029 | -0.010 | 69.274 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | C | 196 | LEU | 0 | -0.008 | -0.007 | 72.066 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | C | 197 | SER | 0 | -0.044 | 0.002 | 75.437 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | C | 198 | LYS | 1 | 0.843 | 0.905 | 78.077 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | C | 199 | ASP | -1 | -0.829 | -0.904 | 79.818 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | C | 200 | ASN | 0 | -0.031 | -0.019 | 83.056 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | C | 201 | THR | 0 | 0.034 | 0.026 | 83.298 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | C | 202 | ASP | -1 | -0.872 | -0.953 | 81.120 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | C | 203 | GLY | 0 | 0.022 | -0.002 | 78.022 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | C | 204 | ALA | 0 | 0.002 | 0.001 | 78.884 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | C | 205 | LEU | 0 | -0.024 | -0.009 | 74.434 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | C | 206 | MET | 0 | 0.016 | 0.005 | 74.660 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | C | 207 | TYR | 0 | 0.028 | 0.025 | 74.718 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | C | 208 | ASN | 0 | -0.032 | -0.016 | 70.602 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | C | 209 | CYS | 0 | -0.076 | -0.030 | 69.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | C | 210 | VAL | 0 | -0.002 | 0.016 | 71.165 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | C | 211 | SER | 0 | 0.071 | 0.045 | 73.206 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | C | 212 | GLY | 0 | 0.027 | 0.026 | 75.003 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | C | 213 | ILE | 0 | -0.040 | -0.003 | 78.514 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | C | 214 | VAL | 0 | -0.013 | -0.002 | 79.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | C | 215 | ARG | 1 | 0.774 | 0.852 | 81.942 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | C | 216 | VAL | 0 | 0.004 | 0.007 | 85.682 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | C | 217 | GLU | -1 | -0.786 | -0.893 | 88.341 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | C | 218 | VAL | 0 | 0.000 | 0.015 | 91.966 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | C | 219 | LEU | 0 | -0.045 | -0.011 | 95.114 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | C | 220 | ASN | 0 | -0.024 | -0.035 | 96.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | C | 221 | GLN | 0 | 0.032 | 0.004 | 98.837 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | C | 222 | LEU | 0 | -0.025 | 0.007 | 96.660 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | C | 223 | VAL | 0 | 0.002 | -0.005 | 99.666 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | C | 224 | ALA | 0 | 0.005 | -0.013 | 101.128 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | C | 225 | ALA | 0 | 0.012 | 0.020 | 102.837 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | C | 226 | GLN | 0 | 0.024 | -0.006 | 104.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | C | 227 | ASN | 0 | -0.022 | -0.003 | 104.948 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | C | 228 | VAL | 0 | -0.019 | -0.006 | 100.340 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | C | 229 | PHE | 0 | 0.037 | 0.034 | 96.353 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | C | 230 | SER | 0 | 0.038 | 0.017 | 99.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | C | 231 | GLU | -1 | -0.842 | -0.925 | 96.185 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | C | 232 | ILE | 0 | -0.023 | -0.006 | 91.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | C | 233 | ASP | -1 | -0.813 | -0.872 | 88.334 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | C | 234 | VAL | 0 | -0.041 | -0.027 | 86.204 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | C | 235 | ILE | 0 | 0.027 | 0.013 | 81.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | C | 236 | CYS | 0 | -0.042 | -0.012 | 81.210 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | C | 237 | GLU | -1 | -0.814 | -0.902 | 76.886 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | C | 238 | VAL | 0 | -0.044 | -0.031 | 73.630 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | C | 239 | ASN | 0 | -0.021 | -0.004 | 70.200 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | C | 240 | GLY | 0 | 0.049 | 0.002 | 67.871 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | C | 241 | GLY | 0 | -0.010 | 0.009 | 68.915 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | C | 242 | PRO | 0 | -0.009 | -0.035 | 65.632 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | C | 243 | ASP | -1 | -0.775 | -0.866 | 63.931 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | C | 244 | LEU | 0 | -0.068 | -0.007 | 64.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | C | 245 | GLU | -1 | -0.854 | -0.911 | 59.402 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | C | 246 | PHE | 0 | -0.011 | -0.043 | 59.944 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | C | 247 | ALA | 0 | 0.015 | 0.006 | 57.318 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | C | 248 | GLY | 0 | 0.012 | 0.006 | 55.974 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | C | 249 | PRO | 0 | -0.009 | 0.016 | 53.407 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | C | 250 | THR | 0 | -0.016 | -0.011 | 55.019 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | C | 251 | CYS | 0 | -0.001 | 0.008 | 56.749 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | C | 252 | PRO | 0 | -0.007 | -0.004 | 58.226 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | C | 253 | ARG | 1 | 0.833 | 0.929 | 61.387 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | C | 254 | TYR | 0 | -0.004 | -0.006 | 64.602 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | C | 255 | VAL | 0 | 0.030 | 0.003 | 62.710 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | C | 256 | PRO | 0 | -0.047 | -0.034 | 63.362 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | C | 257 | TYR | 0 | -0.024 | -0.017 | 66.358 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | C | 258 | ALA | 0 | 0.012 | -0.001 | 68.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | C | 259 | GLY | 0 | 0.020 | 0.026 | 70.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | C | 260 | ASP | -1 | -0.838 | -0.900 | 73.384 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | C | 261 | PHE | 0 | -0.019 | -0.011 | 74.296 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | C | 262 | THR | 0 | -0.068 | -0.045 | 79.583 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | C | 263 | LEU | 0 | 0.087 | 0.042 | 82.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | C | 264 | ALA | 0 | -0.025 | -0.019 | 85.066 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | C | 265 | ASP | -1 | -0.795 | -0.904 | 79.882 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | C | 266 | THR | 0 | 0.055 | 0.011 | 79.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | C | 267 | ARG | 1 | 0.954 | 0.980 | 81.514 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | C | 268 | LYS | 1 | 0.747 | 0.867 | 81.165 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | C | 269 | ILE | 0 | 0.037 | 0.015 | 77.097 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | C | 270 | GLU | -1 | -0.928 | -0.961 | 79.355 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | C | 271 | ALA | 0 | -0.023 | 0.000 | 80.835 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | C | 272 | GLU | -1 | -0.799 | -0.885 | 79.583 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | C | 273 | ARG | 1 | 0.994 | 0.990 | 72.760 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | C | 274 | THR | 0 | -0.016 | 0.002 | 77.853 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | C | 275 | GLN | 0 | -0.043 | -0.010 | 80.264 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | C | 276 | GLU | -1 | -0.946 | -0.956 | 74.866 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | C | 277 | TYR | 0 | -0.130 | -0.081 | 71.711 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | C | 278 | SER | 0 | 0.007 | 0.011 | 76.016 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | C | 279 | ASN | 0 | -0.054 | -0.031 | 76.639 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | C | 280 | ASN | 0 | -0.116 | -0.070 | 79.338 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | C | 281 | GLU | -1 | -0.936 | -0.972 | 82.589 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | C | 282 | ASP | -1 | -0.949 | -0.963 | 78.076 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |