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: Y74Z2
Calculation Name: 2V0Z-Xray550
Preferred Name: Renin
Target Type: SINGLE PROTEIN
Ligand Name: aliskiren | 2-acetamido-2-deoxy-beta-d-glucopyranose
Ligand 3-letter code: C41 | NAG
Ligand of Interest (LOI): C41
Structure Source: PDB
PDB ID: 2V0Z
Chain ID:
ChEMBL ID: CHEMBL286
UniProt ID: P00797
Base Structure: X-ray
Registration Date: 2025-10-13
Reference:
Apendix: None
Modeling method
| Optimization | AMBER11:AMBER99 |
|---|---|
| Restraint | The complemented residues/atoms, cysteine with disulfide bond, and added hydrogen atoms were optimized concurrently. |
| Protonation | For renin, hydrogen atoms were added by using AMBER11. The active site residues Asp38 and Asp226 are not protonated. For ligands, hydrogen atoms were added by using GaussView. |
| Complement | SWISS Model |
| Water | No |
| Procedure | Manual calculation |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Manual |
| Number of fragment | 340 |
| LigandResidueName | C41 |
| LigandFragmentNumber | 338 |
| LigandCharge | |
| Software | MIZUHO/ABINIT-MP 4.0(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -5392762.250807 |
|---|---|
| FMO2-HF: Nuclear repulsion | 5259268.500405 |
| FMO2-HF: Total energy | -133493.750402 |
| FMO2-MP2: Total energy | -133880.404821 |
3D Structure
Ligand structure
C41
Ligand Interaction
Ligand binding energy (frag 338-340 : frag 1-337)
| 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. |
| -188.9933 | -156.8355 | 134.5589 | -50.9634 | -115.7533 | 0.2332 |
Interactive mode: IFIE and PIEDA for fragment #338(:341:C41)
Summations of interaction energy for
fragment #338(:341:C41)
| 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. |
| -57.812 | -40.958 | 43.786 | -15.967 | -44.674 | -0.055 |
Interaction energy analysis for fragmet #338(:341:C41)
| 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]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | 1 | LEU | 1 | 0.818 | 24.945 | 0.353 | 0.353 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 2 | 2 | THR | 0 | 0.067 | 28.195 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 3 | 3 | LEU | 0 | 0.017 | 25.079 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 4 | 4 | GLY | 0 | 0.032 | 26.862 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 5 | 5 | ASN | 0 | -0.079 | 27.456 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 6 | 6 | THR | 0 | 0.001 | 22.906 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 7 | 7 | THR | 0 | -0.005 | 19.653 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 8 | 8 | SER | 0 | -0.008 | 18.059 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 9 | 9 | SER | 0 | -0.003 | 15.207 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 10 | 10 | VAL | 0 | -0.024 | 11.391 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 11 | 11 | ILE | 0 | 0.015 | 11.887 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 12 | 12 | LEU | 0 | -0.047 | 6.318 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 13 | 13 | THR | 0 | -0.040 | 8.791 | -0.145 | -0.145 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 14 | 14 | ASN | 0 | -0.029 | 6.806 | 1.055 | 1.055 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 15 | 15 | TYR | 0 | 0.041 | 5.682 | -0.766 | -0.766 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 16 | 16 | MET | 0 | 0.001 | 6.683 | 0.983 | 0.983 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 17 | 17 | ASP | -1 | -0.756 | 6.199 | 1.167 | 1.167 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 18 | 18 | THR | 0 | -0.109 | 4.479 | -0.786 | -0.284 | -0.001 | -0.176 | -0.326 | 0.000 | ||
| 19 | 19 | GLN | 0 | 0.046 | 2.171 | -8.053 | -4.636 | 10.562 | -5.217 | -8.763 | -0.005 | ||
| 20 | 20 | TYR | 0 | 0.009 | 2.022 | -9.161 | -11.798 | 7.571 | 0.046 | -4.980 | 0.024 | ||
| 21 | 21 | TYR | 0 | 0.015 | 3.125 | -3.247 | -1.852 | 0.101 | -0.544 | -0.952 | -0.004 | ||
| 22 | 22 | GLY | 0 | 0.025 | 5.733 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 23 | 23 | GLU | -1 | -0.908 | 9.279 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 24 | 24 | ILE | 0 | -0.038 | 11.754 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 25 | 25 | GLY | 0 | -0.017 | 14.156 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 26 | 26 | ILE | 0 | -0.002 | 15.175 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 27 | 27 | GLY | 0 | 0.066 | 19.161 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 28 | 28 | THR | 0 | -0.107 | 22.919 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 29 | 29 | PRO | 0 | 0.025 | 25.810 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 30 | 30 | PRO | 0 | -0.012 | 20.642 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 31 | 31 | GLN | 0 | -0.020 | 19.802 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 32 | 32 | THR | 0 | -0.053 | 16.223 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 33 | 33 | PHE | 0 | 0.017 | 12.486 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 34 | 34 | LYS | 1 | 1.005 | 8.769 | -0.996 | -0.996 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 35 | 35 | VAL | 0 | -0.002 | 7.576 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 36 | 36 | VAL | 0 | 0.042 | 2.182 | -0.033 | -1.294 | 5.260 | -0.960 | -3.040 | -0.001 | ||
| 37 | 37 | PHE | 0 | -0.005 | 4.436 | -0.266 | -0.147 | -0.001 | -0.014 | -0.104 | 0.000 | ||
| 38 | 38 | ASP | -1 | -0.697 | 5.447 | -7.769 | -7.769 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 39 | 39 | THR | 0 | -0.041 | 6.488 | 0.575 | 0.575 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 40 | 40 | GLY | 0 | 0.042 | 6.918 | 0.782 | 0.782 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 41 | 41 | SER | 0 | -0.061 | 6.925 | 1.026 | 1.026 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 42 | 42 | SER | 0 | 0.026 | 9.055 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 43 | 43 | ASN | 0 | -0.017 | 10.700 | 0.154 | 0.154 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 44 | 44 | VAL | 0 | 0.016 | 10.649 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 45 | 45 | TRP | 0 | -0.031 | 6.220 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 46 | 46 | VAL | 0 | 0.038 | 11.438 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 47 | 47 | PRO | 0 | 0.055 | 10.570 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 48 | 48 | SER | 0 | -0.003 | 13.341 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 49 | 49 | SER | 0 | 0.005 | 17.025 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 50 | 50 | LYS | 1 | 0.892 | 19.477 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 51 | 51 | CYS | 0 | -0.025 | 9.981 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 52 | 52 | SER | 0 | 0.019 | 17.673 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 53 | 53 | ARG | 1 | 0.989 | 17.049 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 54 | 54 | LEU | 0 | -0.036 | 17.263 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 55 | 55 | TYR | 0 | -0.001 | 12.877 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 56 | 56 | THR | 0 | 0.015 | 11.010 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 57 | 57 | ALA | 0 | 0.064 | 8.392 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 58 | 59 | VAL | 0 | -0.081 | 12.735 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 59 | 60 | TYR | 0 | -0.041 | 10.331 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 60 | 61 | HIS | 0 | 0.011 | 6.954 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 61 | 62 | LYS | 1 | 0.844 | 11.432 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 62 | 63 | LEU | 0 | -0.048 | 13.696 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 63 | 64 | PHE | 0 | -0.061 | 16.251 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 64 | 65 | ASP | -1 | -0.858 | 18.684 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 65 | 66 | ALA | 0 | -0.010 | 22.240 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 66 | 67 | SER | 0 | -0.069 | 24.339 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 67 | 68 | ASP | -1 | -0.902 | 25.115 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 68 | 69 | SER | 0 | -0.083 | 24.635 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 69 | 70 | SER | 0 | -0.016 | 26.782 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 70 | 71 | SER | 0 | -0.067 | 25.296 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 71 | 72 | TYR | 0 | -0.012 | 23.111 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 72 | 73 | LYS | 1 | 0.916 | 25.818 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 73 | 74 | HIS | 0 | 0.013 | 25.272 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 74 | 75 | ASN | 0 | -0.052 | 22.797 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 75 | 76 | GLY | 0 | 0.026 | 22.909 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 76 | 77 | THR | 0 | -0.071 | 20.409 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 77 | 78 | GLU | -1 | -0.905 | 19.190 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 78 | 79 | LEU | 0 | -0.050 | 13.768 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 79 | 80 | THR | 0 | -0.001 | 12.605 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 80 | 81 | LEU | 0 | -0.022 | 8.617 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 81 | 82 | ARG | 1 | 0.961 | 8.447 | 0.381 | 0.381 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 82 | 83 | TYR | 0 | 0.086 | 3.414 | -0.693 | -0.262 | 0.021 | -0.121 | -0.331 | 0.000 | ||
| 83 | 84 | SER | 0 | -0.027 | 5.210 | 0.494 | 0.494 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 84 | 85 | THR | 0 | -0.001 | 3.182 | -1.920 | -0.655 | 0.098 | -0.447 | -0.916 | 0.001 | ||
| 85 | 86 | GLY | 0 | 0.032 | 5.021 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 86 | 87 | THR | 0 | -0.064 | 5.788 | -0.387 | -0.387 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 87 | 88 | VAL | 0 | 0.008 | 6.890 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 88 | 89 | SER | 0 | 0.030 | 9.572 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 89 | 90 | GLY | 0 | 0.047 | 13.332 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 90 | 91 | PHE | 0 | -0.027 | 15.873 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 91 | 92 | LEU | 0 | -0.012 | 17.141 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 92 | 93 | SER | 0 | -0.022 | 19.316 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 93 | 94 | GLN | 0 | -0.043 | 20.408 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 94 | 95 | ASP | -1 | -0.676 | 21.515 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 95 | 96 | ILE | 0 | -0.021 | 21.822 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 96 | 97 | ILE | 0 | 0.026 | 15.713 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 97 | 98 | THR | 0 | -0.051 | 18.490 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 98 | 99 | VAL | 0 | 0.047 | 13.592 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 99 | 100 | GLY | 0 | 0.071 | 16.047 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 100 | 101 | GLY | 0 | -0.029 | 17.409 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 101 | 102 | ILE | 0 | -0.065 | 19.147 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 102 | 103 | THR | 0 | 0.022 | 19.958 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 103 | 104 | VAL | 0 | 0.008 | 18.953 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 104 | 105 | THR | 0 | -0.001 | 21.158 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 105 | 106 | GLN | 0 | -0.016 | 17.027 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 106 | 107 | MET | 0 | -0.048 | 19.894 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 107 | 108 | PHE | 0 | 0.005 | 15.432 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 108 | 109 | GLY | 0 | 0.022 | 14.343 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 109 | 110 | GLU | -1 | -0.779 | 14.775 | -0.169 | -0.169 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 110 | 111 | VAL | 0 | -0.037 | 10.407 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 111 | 112 | THR | 0 | 0.023 | 13.631 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 112 | 113 | GLU | -1 | -0.958 | 13.443 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 113 | 114 | MET | 0 | 0.024 | 7.606 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 114 | 115 | PRO | 0 | -0.013 | 7.256 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 115 | 116 | ALA | 0 | 0.036 | 7.472 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 116 | 117 | LEU | 0 | -0.057 | 6.181 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 117 | 118 | PRO | 0 | 0.040 | 2.166 | -1.482 | -0.782 | 3.232 | -1.036 | -2.896 | 0.005 | ||
| 118 | 119 | PHE | 0 | 0.074 | 3.201 | -3.630 | -1.571 | 0.228 | -0.788 | -1.499 | -0.006 | ||
| 119 | 120 | MET | 0 | -0.051 | 4.596 | 0.037 | 0.104 | -0.001 | -0.009 | -0.056 | 0.000 | ||
| 120 | 121 | LEU | 0 | -0.058 | 2.308 | 0.060 | 0.053 | 2.185 | -0.654 | -1.524 | 0.000 | ||
| 121 | 122 | ALA | 0 | -0.042 | 2.301 | -2.778 | -1.265 | 2.609 | -1.508 | -2.614 | -0.015 | ||
| 122 | 123 | GLU | -1 | -0.888 | 2.930 | 2.908 | 1.629 | 0.304 | 1.500 | -0.525 | -0.001 | ||
| 123 | 124 | PHE | 0 | -0.139 | 2.809 | -7.262 | -2.728 | 1.980 | -1.596 | -4.918 | 0.008 | ||
| 124 | 125 | ASP | -1 | -0.787 | 6.519 | 0.298 | 0.298 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 125 | 126 | GLY | 0 | 0.009 | 8.910 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 126 | 127 | VAL | 0 | -0.052 | 5.569 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 127 | 128 | VAL | 0 | 0.001 | 7.847 | 0.387 | 0.387 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 128 | 129 | GLY | 0 | 0.008 | 8.902 | -0.380 | -0.380 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 129 | 130 | MET | 0 | -0.068 | 9.409 | 0.515 | 0.515 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 130 | 131 | GLY | 0 | 0.019 | 11.584 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 131 | 132 | PHE | 0 | -0.040 | 13.244 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 132 | 133 | ILE | 0 | 0.050 | 15.659 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 133 | 134 | GLU | -1 | -0.948 | 17.636 | -0.695 | -0.695 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 134 | 135 | GLN | 0 | -0.022 | 12.355 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 135 | 136 | ALA | 0 | -0.020 | 13.158 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 136 | 137 | ILE | 0 | -0.007 | 11.971 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 137 | 138 | GLY | 0 | 0.014 | 14.828 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 138 | 139 | ARG | 1 | 0.864 | 17.795 | 0.606 | 0.606 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 139 | 140 | VAL | 0 | 0.011 | 16.890 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 140 | 141 | THR | 0 | -0.027 | 17.914 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 141 | 142 | PRO | 0 | 0.072 | 15.768 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 142 | 143 | ILE | 0 | 0.023 | 13.849 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 143 | 144 | PHE | 0 | 0.037 | 15.299 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 144 | 145 | ASP | -1 | -0.813 | 17.161 | -0.712 | -0.712 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 145 | 146 | ASN | 0 | 0.019 | 20.068 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 146 | 147 | ILE | 0 | -0.016 | 17.008 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 147 | 148 | ILE | 0 | -0.016 | 20.455 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 148 | 149 | SER | 0 | -0.080 | 22.885 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 149 | 150 | GLN | 0 | -0.078 | 23.508 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 150 | 151 | GLY | 0 | -0.037 | 25.940 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 151 | 152 | VAL | 0 | -0.016 | 23.695 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 152 | 153 | LEU | 0 | 0.004 | 19.480 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 153 | 154 | LYS | 1 | 0.904 | 23.404 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 154 | 155 | GLU | -1 | -0.869 | 21.769 | -0.352 | -0.352 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 155 | 156 | ASP | -1 | -0.895 | 21.105 | -0.626 | -0.626 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 156 | 157 | VAL | 0 | -0.014 | 17.268 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 157 | 158 | PHE | 0 | 0.000 | 10.874 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 158 | 159 | SER | 0 | 0.010 | 12.786 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 159 | 160 | PHE | 0 | -0.020 | 5.979 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 160 | 161 | TYR | 0 | 0.024 | 9.473 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 161 | 162 | TYR | 0 | -0.003 | 2.777 | -1.447 | -0.435 | 0.294 | -0.359 | -0.947 | -0.003 | ||
| 162 | 163 | ASN | 0 | 0.052 | 7.800 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 163 | 164 | ARG | 1 | 0.923 | 8.542 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 164 | 165 | ASP | -1 | -0.940 | 10.416 | 1.069 | 1.069 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 165 | 166 | SER | 0 | -0.011 | 11.895 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 166 | 167 | GLU | -1 | -0.886 | 15.683 | 0.462 | 0.462 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 167 | 168 | ASN | 0 | -0.078 | 18.567 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 168 | 169 | SER | 0 | 0.038 | 16.788 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 169 | 170 | GLN | 0 | -0.045 | 17.227 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 170 | 171 | SER | 0 | -0.039 | 15.730 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 171 | 172 | LEU | 0 | -0.018 | 12.514 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 172 | 173 | GLY | 0 | 0.038 | 10.314 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 173 | 174 | GLY | 0 | 0.067 | 8.496 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 174 | 175 | GLN | 0 | -0.060 | 9.558 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 175 | 176 | ILE | 0 | 0.003 | 9.323 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 176 | 177 | VAL | 0 | -0.024 | 11.140 | 0.150 | 0.150 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 177 | 178 | LEU | 0 | -0.007 | 13.524 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 178 | 179 | GLY | 0 | 0.059 | 16.440 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 179 | 180 | GLY | 0 | -0.010 | 17.907 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 180 | 181 | SER | 0 | -0.012 | 16.484 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 181 | 182 | ASP | -1 | -0.776 | 16.342 | -0.170 | -0.170 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 182 | 183 | PRO | 0 | -0.017 | 17.691 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 183 | 184 | GLN | 0 | -0.054 | 18.918 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 184 | 185 | HIS | 0 | -0.044 | 14.507 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 185 | 186 | TYR | 0 | -0.015 | 15.576 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 186 | 187 | GLU | -1 | -0.945 | 17.950 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 187 | 188 | GLY | 0 | -0.043 | 21.036 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 188 | 189 | ASN | 0 | -0.051 | 22.897 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 189 | 190 | PHE | 0 | 0.021 | 15.964 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 190 | 191 | HIS | 0 | -0.050 | 20.329 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 191 | 192 | TYR | 0 | -0.010 | 19.373 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 192 | 193 | ILE | 0 | -0.012 | 17.970 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 193 | 194 | ASN | 0 | -0.038 | 19.679 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 194 | 195 | LEU | 0 | -0.024 | 17.000 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 195 | 196 | ILE | 0 | -0.052 | 19.186 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 196 | 197 | LYS | 1 | 0.927 | 18.849 | 0.689 | 0.689 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 197 | 198 | THR | 0 | 0.036 | 20.037 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 198 | 199 | GLY | 0 | 0.013 | 18.351 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 199 | 200 | VAL | 0 | 0.002 | 13.458 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 200 | 201 | TRP | 0 | 0.019 | 12.335 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 201 | 202 | GLN | 0 | -0.009 | 13.504 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 202 | 203 | ILE | 0 | 0.018 | 15.915 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 203 | 204 | GLN | 0 | 0.007 | 18.230 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 204 | 205 | MET | 0 | -0.034 | 16.513 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 205 | 206 | LYS | 1 | 0.892 | 20.362 | 0.367 | 0.367 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 206 | 207 | GLY | 0 | 0.071 | 21.946 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 207 | 208 | VAL | 0 | -0.039 | 18.402 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 208 | 209 | SER | 0 | -0.001 | 21.112 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 209 | 210 | VAL | 0 | 0.037 | 21.454 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 210 | 211 | GLY | 0 | 0.019 | 23.532 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 211 | 212 | SER | 0 | -0.081 | 25.624 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 212 | 213 | SER | 0 | 0.025 | 27.410 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 213 | 214 | THR | 0 | 0.011 | 25.128 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 214 | 215 | LEU | 0 | 0.032 | 23.675 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 215 | 216 | LEU | 0 | -0.033 | 20.402 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 216 | 217 | CYS | 0 | -0.158 | 19.533 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 217 | 218 | GLU | -1 | -0.873 | 23.332 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 218 | 219 | ASP | -1 | -0.931 | 26.867 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 219 | 220 | GLY | 0 | -0.076 | 23.960 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 220 | 222 | LEU | 0 | -0.014 | 16.718 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 221 | 223 | ALA | 0 | 0.058 | 14.571 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 222 | 224 | LEU | 0 | -0.023 | 9.305 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 223 | 225 | VAL | 0 | 0.011 | 9.585 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 224 | 226 | ASP | -1 | -0.789 | 5.526 | -6.193 | -6.193 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 225 | 227 | THR | 0 | 0.013 | 4.692 | -0.807 | -0.600 | -0.001 | -0.020 | -0.186 | 0.000 | ||
| 226 | 228 | GLY | 0 | 0.037 | 2.129 | -3.144 | -2.971 | 3.759 | -1.548 | -2.384 | -0.012 | ||
| 227 | 229 | ALA | 0 | -0.023 | 2.382 | -8.231 | -6.542 | 3.329 | -0.992 | -4.026 | -0.036 | ||
| 228 | 230 | SER | 0 | -0.012 | 2.274 | -3.482 | -1.114 | 1.833 | -1.326 | -2.874 | -0.009 | ||
| 229 | 231 | TYR | 0 | -0.012 | 3.845 | 0.360 | 0.559 | 0.005 | 0.028 | -0.232 | 0.000 | ||
| 230 | 232 | ILE | 0 | -0.025 | 7.112 | -0.670 | -0.670 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 231 | 233 | SER | 0 | 0.031 | 9.685 | 0.228 | 0.228 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 232 | 234 | GLY | 0 | 0.042 | 11.538 | -0.172 | -0.172 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 233 | 235 | SER | 0 | 0.037 | 13.683 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 234 | 236 | THR | 0 | -0.007 | 15.560 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 235 | 237 | SER | 0 | 0.005 | 16.912 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 236 | 238 | SER | 0 | -0.027 | 17.879 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 237 | 239 | ILE | 0 | 0.015 | 14.916 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 238 | 240 | GLU | -1 | -0.943 | 18.351 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 239 | 241 | LYS | 1 | 0.963 | 21.356 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 240 | 242 | LEU | 0 | -0.001 | 17.115 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 241 | 243 | MET | 0 | -0.025 | 16.279 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 242 | 244 | GLU | -1 | -0.978 | 21.368 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 243 | 245 | ALA | 0 | -0.030 | 23.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 244 | 246 | LEU | 0 | -0.062 | 18.894 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 245 | 247 | GLY | 0 | 0.025 | 23.340 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 246 | 248 | ALA | 0 | -0.062 | 20.428 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 247 | 249 | LYS | 1 | 0.909 | 22.446 | -0.221 | -0.221 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 248 | 250 | LYS | 1 | 0.936 | 16.578 | -0.461 | -0.461 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 249 | 251 | ARG | 1 | 0.959 | 16.395 | -0.708 | -0.708 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 250 | 252 | LEU | 0 | -0.051 | 17.970 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 251 | 253 | PHE | 0 | 0.010 | 13.345 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 252 | 254 | ASP | -1 | -0.845 | 12.669 | 1.241 | 1.241 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 253 | 255 | TYR | 0 | 0.011 | 15.571 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 254 | 256 | VAL | 0 | -0.050 | 17.154 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 255 | 257 | VAL | 0 | 0.078 | 19.749 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 256 | 258 | LYS | 1 | 0.903 | 22.215 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 257 | 259 | CYS | 0 | 0.001 | 18.381 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 258 | 260 | ASN | 0 | -0.056 | 23.084 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 259 | 261 | GLU | -1 | -0.863 | 24.888 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 260 | 262 | GLY | 0 | 0.016 | 21.684 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 261 | 263 | PRO | 0 | -0.031 | 22.291 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 262 | 264 | THR | 0 | -0.052 | 24.026 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 263 | 265 | LEU | 0 | -0.081 | 20.303 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 264 | 266 | PRO | 0 | -0.003 | 23.146 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 265 | 267 | ASP | -1 | -0.829 | 20.781 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 266 | 268 | ILE | 0 | -0.045 | 17.182 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 267 | 269 | SER | 0 | -0.017 | 18.570 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 268 | 270 | PHE | 0 | 0.016 | 15.139 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 269 | 271 | HIS | 0 | 0.046 | 18.777 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 270 | 272 | LEU | 0 | -0.020 | 15.909 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 271 | 273 | GLY | 0 | -0.005 | 20.460 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 272 | 274 | GLY | 0 | -0.033 | 23.137 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 273 | 275 | LYS | 1 | 0.941 | 21.890 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 274 | 276 | GLU | -1 | -0.855 | 21.984 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 275 | 277 | TYR | 0 | -0.027 | 16.747 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 276 | 278 | THR | 0 | 0.011 | 18.203 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 277 | 279 | LEU | 0 | -0.048 | 12.573 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 278 | 280 | THR | 0 | 0.067 | 16.944 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 279 | 281 | SER | 0 | 0.032 | 17.145 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 280 | 282 | ALA | 0 | -0.036 | 17.021 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 281 | 283 | ASP | -1 | -0.794 | 13.841 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 282 | 284 | TYR | 0 | -0.002 | 12.353 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 283 | 285 | VAL | 0 | -0.044 | 13.746 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 284 | 286 | PHE | 0 | 0.050 | 8.783 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 285 | 287 | GLN | 0 | -0.037 | 14.621 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 286 | 288 | GLU | -1 | -0.912 | 17.962 | 0.635 | 0.635 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 287 | 289 | SER | 0 | -0.040 | 18.849 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 288 | 290 | TYR | 0 | 0.070 | 21.782 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 289 | 291 | SER | 0 | 0.009 | 24.783 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 290 | 292 | SER | 0 | 0.040 | 26.221 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 291 | 293 | LYS | 1 | 0.885 | 28.522 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 292 | 294 | LYS | 1 | 0.946 | 23.352 | -0.388 | -0.388 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 293 | 295 | LEU | 0 | -0.014 | 21.577 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 294 | 297 | THR | 0 | 0.046 | 13.411 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 295 | 298 | LEU | 0 | 0.015 | 14.504 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 296 | 299 | ALA | 0 | 0.023 | 9.266 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 297 | 300 | ILE | 0 | 0.029 | 10.117 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 298 | 301 | HIS | 0 | -0.034 | 10.011 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 299 | 302 | ALA | 0 | -0.006 | 12.112 | -0.213 | -0.213 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 300 | 303 | MET | 0 | -0.024 | 5.538 | 0.490 | 0.490 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 301 | 304 | ASP | -1 | -0.837 | 10.650 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 302 | 305 | ILE | 0 | -0.021 | 8.498 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 303 | 306 | PRO | 0 | 0.022 | 10.204 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 304 | 307 | PRO | 0 | 0.023 | 13.231 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 305 | 308 | PRO | 0 | -0.060 | 14.972 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 306 | 309 | THR | 0 | -0.011 | 11.477 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 307 | 310 | GLY | 0 | 0.039 | 13.348 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 308 | 311 | PRO | 0 | -0.015 | 14.114 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 309 | 312 | THR | 0 | -0.071 | 11.887 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 310 | 313 | TRP | 0 | 0.019 | 12.984 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 311 | 314 | ALA | 0 | 0.000 | 8.935 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 312 | 315 | LEU | 0 | -0.043 | 9.572 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 313 | 316 | GLY | 0 | 0.065 | 5.368 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 314 | 317 | ALA | 0 | 0.015 | 2.499 | 0.514 | 0.869 | 0.420 | -0.216 | -0.560 | -0.001 | ||
| 315 | 318 | THR | 0 | -0.059 | 4.630 | 0.616 | 0.649 | -0.001 | -0.010 | -0.021 | 0.000 | ||
| 316 | 319 | PHE | 0 | -0.006 | 7.939 | 0.226 | 0.226 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 317 | 320 | ILE | 0 | -0.015 | 5.424 | 0.167 | 0.167 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 318 | 321 | ARG | 1 | 0.857 | 5.604 | -0.375 | -0.375 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 319 | 322 | LYS | 1 | 0.773 | 9.422 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 320 | 323 | PHE | 0 | -0.043 | 11.994 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 321 | 324 | TYR | 0 | 0.094 | 11.581 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 322 | 325 | THR | 0 | 0.013 | 10.231 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 323 | 326 | GLU | -1 | -0.892 | 12.348 | -0.614 | -0.614 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 324 | 327 | PHE | 0 | -0.003 | 9.482 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 325 | 328 | ASP | -1 | -0.751 | 14.809 | -0.499 | -0.499 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 326 | 329 | ARG | 1 | 0.877 | 17.488 | 0.818 | 0.818 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 327 | 330 | ARG | 1 | 0.919 | 19.816 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 328 | 331 | ASN | 0 | -0.114 | 22.410 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 329 | 332 | ASN | 0 | -0.013 | 20.429 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 330 | 333 | ARG | 1 | 0.861 | 19.621 | 0.524 | 0.524 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 331 | 334 | ILE | 0 | 0.033 | 13.521 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 332 | 335 | GLY | 0 | -0.006 | 16.322 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 333 | 336 | PHE | 0 | -0.002 | 12.108 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 334 | 337 | ALA | 0 | 0.038 | 15.879 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 335 | 338 | LEU | 0 | -0.039 | 15.893 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 336 | 339 | ALA | 0 | 0.030 | 13.199 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 337 | 340 | ARG | 0 | -0.019 | 15.263 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 | ||
| 339 | 341 | C41 | 0 | -0.076 | 6.252 | 0.612 | 0.612 | 0.000 | 0.000 | 0.000 | 0.000 |