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: MZ8VZ
Calculation Name: 7F9O-f-Other547
Preferred Name:
Target Type:
Ligand Name: chlorophyll a | chlorophyll b | chlorophyll a isomer | digalactosyl diacyl glycerol (dgdg) | (3s,5r,6s,3's,5'r,6's)-5,6,5',6'-diepoxy-5,6,5',6'-tetrahydro-beta,beta-carotene-3,3'-diol | (3r,3'r,6s)-4,5-didehydro-5,6-dihydro-beta,beta-carotene-3,3'-diol | 1,2-di-o-acyl-3-o-[6-deoxy-6-sulfo-alpha-d-glucopyranosyl]-sn-glycerol | beta-carotene | 1,2-distearoyl-monogalactosyl-diglyceride | 1,2-dipalmitoyl-phosphatidyl-glycerole | phylloquinone | iron/sulfur cluster
Ligand 3-letter code: CLA | CHL | CL0 | DGD | XAT | LUT | SQD | BCR | LMG | LHG | PQN | SF4
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 7F9O
Chain ID: f
Base Structure: ElectronMicroscopy
Registration Date: 2025-10-06
Reference: Sci Data 11, 1164 (2024).
DOI: https://doi.org/10.1038/s41597-024-03999-2
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptAll |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Homology Modeling |
| Water | No |
| Procedure | Manual calculation |
| Remarks |
ac.sh, 23 2024 Oct; Missing atoms/residues were imported from a 100% homology model, which was constructed by MOE. |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 733 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23 (BINDS Ver. 1) / 20230922 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -17143241.462071 |
|---|---|
| FMO2-HF: Nuclear repulsion | 16858845.179597 |
| FMO2-HF: Total energy | -284396.282474 |
| FMO2-MP2: Total energy | -285242.215648 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:2:GLU)
Summations of interaction energy for
fragment #1(A:2:GLU)
| 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. |
| -57.388 | -44.83 | 25.767 | -15.895 | -22.428 | -0.001 |
Interaction energy analysis for fragmet #1(A:2:GLU)
| frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 3 | A | 4 | ARG | 1 | 0.864 | 0.938 | 3.087 | 0.902 | 4.114 | 0.007 | -1.595 | -1.624 | 0.001 |
| 4 | A | 5 | PHE | 0 | 0.047 | 0.049 | 2.653 | -0.347 | 1.115 | 0.599 | -0.814 | -1.247 | -0.012 |
| 5 | A | 6 | PRO | 0 | 0.051 | 0.009 | 4.857 | -3.014 | -2.809 | -0.001 | -0.036 | -0.167 | 0.000 |
| 6 | A | 7 | ARG | 1 | 0.853 | 0.905 | 2.162 | 2.223 | 5.062 | 4.363 | -2.882 | -4.320 | 0.000 |
| 7 | A | 8 | PHE | 0 | 0.018 | 0.025 | 3.034 | -2.033 | -0.852 | 1.338 | -0.441 | -2.079 | 0.003 |
| 8 | A | 9 | SER | 0 | 0.010 | 0.002 | 2.092 | -15.353 | -15.423 | 4.688 | -2.203 | -2.414 | 0.031 |
| 9 | A | 10 | GLN | 0 | 0.026 | 0.019 | 2.003 | -31.623 | -28.752 | 13.999 | -8.202 | -8.667 | -0.036 |
| 10 | A | 11 | GLY | 0 | 0.000 | -0.004 | 3.329 | -6.805 | -7.642 | 0.087 | 1.128 | -0.378 | 0.004 |
| 12 | A | 13 | ALA | 0 | -0.046 | -0.015 | 2.834 | -6.712 | -5.265 | 0.689 | -0.833 | -1.303 | 0.008 |
| 13 | A | 14 | GLN | 0 | 0.027 | 0.011 | 4.751 | -3.484 | -3.421 | -0.001 | -0.010 | -0.052 | 0.000 |
| 34 | A | 35 | ASP | -1 | -0.763 | -0.878 | 4.601 | 13.923 | 14.108 | -0.001 | -0.007 | -0.177 | 0.000 |
| 11 | A | 12 | LEU | 0 | 0.012 | 0.005 | 5.629 | -2.893 | -2.893 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 15 | ASP | -1 | -0.819 | -0.884 | 7.780 | 2.860 | 2.860 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 16 | PRO | 0 | -0.079 | -0.042 | 10.345 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 17 | THR | 0 | 0.017 | 0.007 | 12.958 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 18 | THR | 0 | 0.069 | 0.026 | 13.360 | 0.508 | 0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 19 | ARG | 1 | 0.876 | 0.930 | 12.480 | -3.453 | -3.453 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 20 | ARG | 1 | 0.853 | 0.927 | 7.593 | -3.677 | -3.677 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 21 | ILE | 0 | -0.023 | -0.007 | 10.332 | 1.017 | 1.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 22 | TRP | 0 | 0.044 | 0.015 | 12.358 | 0.317 | 0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 23 | PHE | 0 | 0.030 | 0.005 | 11.358 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 24 | GLY | 0 | -0.003 | 0.021 | 8.862 | 0.832 | 0.832 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 25 | ILE | 0 | -0.021 | -0.005 | 9.757 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 26 | ALA | 0 | -0.014 | -0.016 | 12.852 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 27 | THR | 0 | -0.034 | -0.036 | 9.747 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 28 | ALA | 0 | -0.002 | -0.003 | 9.539 | 0.902 | 0.902 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 29 | HIS | 0 | 0.008 | -0.018 | 10.625 | 0.478 | 0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 30 | ASP | -1 | -0.854 | -0.907 | 12.303 | 3.630 | 3.630 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 31 | PHE | 0 | 0.021 | -0.008 | 11.200 | 0.776 | 0.776 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 32 | GLU | -1 | -0.783 | -0.890 | 11.281 | 3.426 | 3.426 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 33 | SER | 0 | -0.049 | -0.019 | 10.229 | -0.274 | -0.274 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 34 | HIS | 1 | 0.772 | 0.903 | 7.088 | -7.120 | -7.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 36 | ASP | -1 | -0.955 | -0.973 | 6.646 | 0.695 | 0.695 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 37 | ILE | 0 | -0.056 | -0.008 | 9.112 | -0.551 | -0.551 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 38 | THR | 0 | 0.019 | -0.004 | 11.224 | -0.432 | -0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 39 | GLU | -1 | -0.808 | -0.922 | 14.993 | 1.210 | 1.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 40 | GLU | -1 | -0.851 | -0.943 | 17.329 | 0.902 | 0.902 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 41 | ARG | 1 | 0.910 | 0.959 | 10.429 | -2.230 | -2.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 42 | LEU | 0 | 0.026 | 0.031 | 15.119 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 43 | TYR | 0 | 0.011 | -0.010 | 16.064 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 44 | GLN | 0 | -0.035 | -0.034 | 17.480 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 45 | ASN | 0 | 0.028 | 0.034 | 12.020 | -0.317 | -0.317 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 46 | ILE | 0 | -0.014 | 0.012 | 16.357 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 47 | PHE | 0 | -0.007 | -0.007 | 19.153 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 48 | ALA | 0 | 0.045 | 0.020 | 17.830 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 49 | SER | 0 | -0.005 | -0.014 | 17.373 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 50 | HIS | 0 | -0.010 | -0.005 | 19.658 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 51 | PHE | 0 | -0.009 | 0.001 | 22.873 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 52 | GLY | 0 | 0.029 | 0.023 | 21.270 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 53 | GLN | 0 | -0.028 | -0.021 | 22.322 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 54 | LEU | 0 | 0.002 | -0.004 | 24.460 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 55 | ALA | 0 | 0.029 | 0.031 | 24.707 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 56 | ILE | 0 | -0.001 | 0.009 | 23.428 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 57 | ILE | 0 | 0.007 | 0.010 | 26.793 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 58 | PHE | 0 | 0.010 | -0.014 | 29.972 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 59 | LEU | 0 | 0.028 | 0.014 | 27.850 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 60 | TRP | 0 | -0.012 | 0.003 | 30.715 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 61 | THR | 0 | -0.028 | -0.013 | 32.225 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 62 | SER | 0 | -0.023 | -0.022 | 34.028 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 63 | GLY | 0 | 0.025 | 0.009 | 34.518 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 64 | ASN | 0 | -0.030 | -0.019 | 35.747 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 65 | LEU | 0 | -0.022 | -0.004 | 38.337 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 66 | PHE | 0 | 0.016 | 0.004 | 38.170 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 67 | HIS | 0 | 0.005 | -0.003 | 36.446 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 68 | VAL | 0 | -0.001 | 0.000 | 41.022 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 69 | ALA | 0 | 0.006 | 0.007 | 43.457 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 70 | TRP | 0 | -0.068 | -0.017 | 39.956 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 71 | GLN | 0 | -0.003 | -0.006 | 41.583 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 72 | GLY | 0 | -0.003 | 0.015 | 45.956 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 73 | ASN | 0 | -0.002 | -0.022 | 47.164 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 74 | PHE | 0 | -0.039 | -0.009 | 48.639 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 75 | GLU | -1 | -0.878 | -0.937 | 50.722 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 76 | SER | 0 | 0.020 | -0.002 | 53.639 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 77 | TRP | 0 | -0.064 | -0.028 | 52.150 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 78 | ILE | 0 | -0.010 | -0.010 | 53.539 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 79 | GLN | 0 | -0.059 | -0.020 | 56.355 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 80 | ASP | -1 | -0.824 | -0.924 | 58.399 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 81 | PRO | 0 | 0.005 | 0.001 | 55.511 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 82 | LEU | 0 | -0.040 | -0.013 | 56.064 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 83 | HIS | 1 | 0.808 | 0.909 | 58.636 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 84 | VAL | 0 | 0.005 | 0.027 | 54.555 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 85 | ARG | 1 | 0.927 | 0.965 | 52.060 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 86 | PRO | 0 | 0.039 | 0.011 | 48.362 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 87 | ILE | 0 | 0.005 | 0.003 | 46.320 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 88 | ALA | 0 | -0.060 | -0.016 | 41.910 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 89 | HIS | 0 | 0.022 | 0.006 | 39.863 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 90 | ALA | 0 | 0.028 | 0.014 | 43.097 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 91 | ILE | 0 | -0.068 | -0.030 | 42.327 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 92 | TRP | 0 | -0.001 | -0.012 | 40.245 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 93 | ASP | -1 | -0.796 | -0.901 | 40.426 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 94 | PRO | 0 | -0.052 | -0.020 | 39.404 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 95 | HIS | 0 | -0.071 | -0.044 | 37.774 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 96 | PHE | 0 | -0.036 | -0.012 | 43.137 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 97 | GLY | 0 | 0.050 | 0.034 | 46.363 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 98 | GLN | 0 | -0.004 | -0.017 | 49.866 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 99 | PRO | 0 | 0.021 | -0.006 | 52.587 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 100 | ALA | 0 | 0.021 | 0.011 | 47.970 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 101 | VAL | 0 | -0.003 | -0.002 | 49.167 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 102 | GLU | -1 | -0.886 | -0.932 | 50.948 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 103 | ALA | 0 | -0.032 | -0.014 | 51.809 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 104 | PHE | 0 | -0.045 | -0.032 | 46.104 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 105 | THR | 0 | -0.033 | 0.005 | 50.512 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 106 | ARG | 1 | 0.880 | 0.940 | 47.705 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 107 | GLY | 0 | 0.004 | -0.017 | 52.727 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 108 | GLY | 0 | 0.019 | 0.019 | 54.117 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 109 | ALA | 0 | 0.004 | 0.015 | 50.832 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 110 | ALA | 0 | -0.011 | -0.013 | 52.427 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 111 | GLY | 0 | 0.027 | 0.005 | 50.312 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 112 | PRO | 0 | -0.017 | 0.004 | 47.072 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 113 | VAL | 0 | 0.047 | 0.017 | 46.369 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 114 | ASN | 0 | -0.028 | -0.028 | 41.439 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 115 | ILE | 0 | 0.002 | 0.010 | 45.965 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 116 | ALA | 0 | -0.012 | -0.002 | 44.279 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 117 | TYR | 0 | 0.028 | 0.002 | 44.317 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 118 | SER | 0 | 0.001 | -0.011 | 40.295 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 119 | GLY | 0 | 0.047 | 0.021 | 42.807 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 120 | VAL | 0 | -0.020 | -0.014 | 41.199 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 121 | TYR | 0 | 0.010 | 0.018 | 44.527 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 122 | GLN | 0 | 0.123 | 0.054 | 47.968 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 123 | TRP | 0 | -0.013 | 0.020 | 40.012 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 124 | TRP | 0 | 0.021 | -0.019 | 41.097 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 125 | TYR | 0 | 0.040 | 0.023 | 47.539 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 126 | THR | 0 | -0.017 | -0.018 | 50.316 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 127 | ILE | 0 | -0.055 | -0.025 | 46.077 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 128 | GLY | 0 | 0.046 | 0.030 | 50.306 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 129 | LEU | 0 | -0.044 | -0.017 | 46.033 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 130 | ARG | 1 | 0.804 | 0.883 | 50.682 | -0.248 | -0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 131 | THR | 0 | -0.003 | -0.001 | 51.411 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 132 | ASN | 0 | 0.054 | -0.004 | 48.229 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 133 | GLU | -1 | -0.902 | -0.950 | 47.070 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 134 | ASP | -1 | -0.720 | -0.832 | 46.799 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 135 | LEU | 0 | -0.034 | -0.008 | 44.343 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 136 | TYR | 0 | 0.016 | 0.007 | 42.754 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 137 | THR | 0 | -0.003 | -0.002 | 42.022 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 138 | GLY | 0 | 0.014 | 0.011 | 41.783 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 139 | ALA | 0 | 0.012 | -0.002 | 38.628 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 140 | LEU | 0 | 0.009 | 0.011 | 37.280 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 141 | PHE | 0 | -0.005 | 0.006 | 37.149 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 142 | LEU | 0 | -0.006 | -0.003 | 35.441 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 143 | LEU | 0 | 0.023 | 0.017 | 32.560 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 144 | PHE | 0 | -0.002 | 0.000 | 32.167 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 145 | LEU | 0 | 0.009 | 0.017 | 32.293 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 146 | SER | 0 | -0.037 | -0.023 | 28.535 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 147 | THR | 0 | -0.039 | -0.029 | 27.950 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 148 | LEU | 0 | 0.003 | 0.007 | 27.796 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 149 | SER | 0 | -0.017 | -0.026 | 27.284 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 150 | LEU | 0 | 0.040 | 0.012 | 22.631 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 151 | ILE | 0 | -0.008 | -0.009 | 23.254 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 152 | ALA | 0 | -0.020 | -0.007 | 24.527 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 153 | SER | 0 | -0.067 | -0.049 | 20.458 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 154 | TRP | 0 | -0.009 | 0.006 | 18.847 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 155 | LEU | 0 | 0.018 | 0.016 | 20.385 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 156 | HIS | 0 | 0.011 | -0.016 | 22.422 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 157 | LEU | 0 | -0.011 | 0.003 | 15.474 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 158 | GLN | 0 | -0.033 | -0.006 | 17.906 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 159 | PRO | 0 | 0.004 | -0.014 | 19.021 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 160 | LYS | 1 | 0.882 | 0.929 | 22.043 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 161 | TRP | 0 | 0.031 | 0.022 | 23.928 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 162 | LYS | 1 | 0.861 | 0.956 | 17.162 | -0.633 | -0.633 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 163 | PRO | 0 | 0.005 | 0.019 | 22.252 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 164 | SER | 0 | 0.048 | 0.016 | 22.750 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 165 | LEU | 0 | 0.050 | 0.014 | 22.202 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 166 | SER | 0 | -0.010 | -0.005 | 24.225 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 167 | TRP | 0 | -0.019 | -0.004 | 26.070 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 168 | PHE | 0 | -0.006 | -0.012 | 22.619 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 169 | LYS | 1 | 0.815 | 0.921 | 24.348 | -0.906 | -0.906 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 170 | ASN | 0 | 0.054 | 0.055 | 28.361 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 171 | ALA | 0 | 0.033 | 0.020 | 31.540 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 172 | GLU | -1 | -0.849 | -0.935 | 32.818 | 0.479 | 0.479 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 173 | SER | 0 | -0.022 | -0.035 | 34.625 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 174 | ARG | 1 | 0.932 | 0.988 | 27.508 | -0.806 | -0.806 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 175 | LEU | 0 | -0.015 | -0.004 | 33.992 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 176 | ASN | 0 | 0.061 | 0.018 | 36.209 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 177 | HIS | 0 | -0.050 | -0.008 | 35.945 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 178 | HIS | 0 | -0.009 | -0.007 | 31.340 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 179 | LEU | 0 | 0.032 | 0.014 | 37.000 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 180 | SER | 0 | 0.008 | -0.016 | 40.394 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 181 | GLY | 0 | 0.011 | -0.001 | 40.068 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 182 | LEU | 0 | -0.055 | -0.025 | 33.914 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 183 | PHE | 0 | -0.031 | -0.012 | 36.492 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 184 | GLY | 0 | 0.045 | 0.023 | 41.008 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 185 | VAL | 0 | -0.016 | -0.017 | 42.863 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 186 | SER | 0 | -0.022 | 0.007 | 40.115 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 187 | SER | 0 | 0.021 | 0.007 | 42.698 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 188 | LEU | 0 | -0.005 | 0.008 | 45.556 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 189 | ALA | 0 | 0.002 | 0.001 | 44.411 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 190 | TRP | 0 | -0.004 | -0.001 | 44.987 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 191 | THR | 0 | 0.007 | -0.022 | 46.859 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 192 | GLY | 0 | 0.003 | 0.006 | 49.774 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 193 | HIS | 0 | 0.010 | 0.003 | 47.891 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 194 | LEU | 0 | -0.010 | -0.011 | 49.442 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 195 | VAL | 0 | -0.025 | -0.018 | 52.198 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 196 | HIS | 0 | -0.047 | -0.019 | 52.842 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 197 | VAL | 0 | 0.001 | 0.001 | 50.973 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 198 | ALA | 0 | 0.008 | 0.015 | 51.709 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 199 | ILE | 0 | -0.017 | -0.004 | 53.678 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 200 | PRO | 0 | 0.021 | 0.007 | 56.349 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 201 | ALA | 0 | 0.052 | 0.042 | 55.131 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 202 | SER | 0 | -0.096 | -0.052 | 57.004 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 203 | ARG | 1 | 0.792 | 0.863 | 58.529 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 204 | GLY | 0 | 0.000 | 0.007 | 60.505 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 205 | GLU | -1 | -0.956 | -0.971 | 59.481 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 206 | TYR | 0 | -0.015 | -0.017 | 57.067 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 207 | VAL | 0 | 0.025 | 0.046 | 54.811 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 208 | ARG | 1 | 0.804 | 0.871 | 51.023 | -0.226 | -0.226 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 209 | TRP | 0 | 0.003 | 0.000 | 46.141 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 210 | ASN | 0 | -0.080 | -0.049 | 51.342 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 211 | ASN | 0 | 0.115 | 0.035 | 54.691 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 212 | PHE | 0 | -0.038 | -0.021 | 51.338 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 213 | LEU | 0 | -0.043 | 0.001 | 56.008 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 214 | ASP | -1 | -0.899 | -0.950 | 57.536 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 215 | VAL | 0 | -0.057 | -0.021 | 58.643 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 216 | LEU | 0 | 0.012 | 0.004 | 59.545 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 217 | PRO | 0 | -0.026 | -0.013 | 57.537 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 218 | TYR | 0 | -0.010 | -0.034 | 60.146 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 219 | PRO | 0 | -0.008 | -0.009 | 63.705 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 220 | GLN | 0 | -0.012 | 0.006 | 66.991 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 221 | GLY | 0 | 0.044 | 0.016 | 63.089 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 222 | LEU | 0 | -0.038 | -0.016 | 59.415 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 223 | GLY | 0 | 0.099 | 0.046 | 62.484 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 224 | PRO | 0 | 0.000 | 0.022 | 64.778 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 225 | LEU | 0 | -0.010 | -0.014 | 59.509 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 226 | LEU | 0 | -0.007 | -0.001 | 61.592 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 227 | THR | 0 | -0.025 | -0.013 | 64.855 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 228 | GLY | 0 | 0.004 | 0.016 | 65.605 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 229 | GLN | 0 | -0.015 | -0.016 | 66.472 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 230 | TRP | 0 | 0.012 | -0.014 | 59.166 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 231 | ASN | 0 | 0.014 | 0.008 | 64.779 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 232 | LEU | 0 | 0.023 | 0.022 | 66.868 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 233 | TYR | 0 | 0.009 | -0.003 | 60.881 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 234 | ALA | 0 | 0.052 | 0.019 | 63.627 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 235 | GLN | 0 | -0.101 | -0.042 | 65.353 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 236 | ASN | 0 | 0.003 | 0.013 | 67.830 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 237 | PRO | 0 | 0.041 | 0.016 | 65.185 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 238 | ASP | -1 | -0.754 | -0.845 | 62.806 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 239 | SER | 0 | -0.019 | -0.023 | 65.786 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 240 | SER | 0 | -0.011 | -0.021 | 66.887 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 241 | ASN | 0 | -0.061 | -0.022 | 68.336 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 242 | HIS | 0 | 0.047 | 0.031 | 62.184 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 243 | LEU | 0 | -0.009 | -0.007 | 64.545 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 244 | PHE | 0 | -0.017 | -0.028 | 55.173 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 245 | GLY | 0 | 0.000 | 0.013 | 59.559 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 246 | THR | 0 | -0.023 | -0.029 | 61.032 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 247 | ALA | 0 | 0.069 | 0.034 | 63.942 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 248 | GLN | 0 | -0.031 | -0.010 | 66.283 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 249 | GLY | 0 | 0.041 | 0.019 | 67.606 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 250 | ALA | 0 | -0.014 | 0.008 | 65.097 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 251 | GLY | 0 | 0.001 | 0.008 | 66.081 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 252 | THR | 0 | -0.051 | -0.047 | 65.533 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 253 | ALA | 0 | -0.064 | -0.011 | 64.121 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 254 | ILE | 0 | -0.003 | -0.003 | 58.941 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 255 | LEU | 0 | -0.024 | -0.005 | 56.622 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 256 | THR | 0 | -0.001 | 0.010 | 59.413 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 257 | LEU | 0 | -0.032 | -0.025 | 59.212 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 258 | LEU | 0 | 0.015 | 0.017 | 60.771 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 259 | GLY | 0 | -0.009 | -0.012 | 59.262 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 260 | GLY | 0 | 0.026 | 0.019 | 60.345 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 261 | PHE | 0 | -0.020 | -0.015 | 55.472 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 262 | HIS | 0 | 0.007 | 0.024 | 59.523 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 263 | PRO | 0 | -0.007 | -0.017 | 61.165 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 264 | GLN | 0 | 0.002 | 0.020 | 62.143 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 265 | THR | 0 | -0.014 | -0.018 | 57.209 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 266 | GLN | 0 | 0.013 | 0.018 | 57.148 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 267 | SER | 0 | 0.032 | 0.012 | 54.382 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 268 | LEU | 0 | -0.014 | -0.003 | 52.304 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 269 | TRP | 0 | 0.033 | 0.023 | 55.935 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 270 | LEU | 0 | 0.029 | -0.002 | 53.447 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 271 | THR | 0 | 0.022 | -0.015 | 55.116 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 272 | ASP | -1 | -0.808 | -0.904 | 56.270 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 273 | MET | 0 | -0.045 | -0.015 | 51.297 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 274 | ALA | 0 | 0.038 | 0.029 | 51.995 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 275 | HIS | 0 | 0.021 | 0.006 | 53.467 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 276 | HIS | 0 | -0.014 | -0.002 | 48.031 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 277 | HIS | 0 | -0.025 | -0.023 | 46.578 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 278 | LEU | 0 | 0.038 | 0.027 | 49.635 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 279 | ALA | 0 | 0.003 | 0.004 | 51.959 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 280 | ILE | 0 | -0.011 | -0.014 | 46.308 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 281 | ALA | 0 | 0.009 | 0.010 | 46.886 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 282 | PHE | 0 | -0.004 | -0.006 | 47.589 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 283 | ILE | 0 | -0.034 | -0.010 | 47.824 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 284 | PHE | 0 | 0.006 | -0.003 | 43.023 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 285 | LEU | 0 | 0.020 | 0.016 | 44.863 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 286 | ILE | 0 | -0.027 | -0.007 | 46.388 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 287 | ALA | 0 | -0.002 | -0.003 | 44.830 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 288 | GLY | 0 | -0.042 | -0.030 | 42.437 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 289 | HIS | 0 | -0.066 | -0.032 | 43.046 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 290 | MET | 0 | -0.007 | 0.019 | 43.507 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 291 | TYR | 0 | 0.011 | -0.007 | 40.164 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 292 | ARG | 1 | 0.941 | 0.979 | 40.859 | -0.304 | -0.304 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 293 | THR | 0 | -0.012 | -0.007 | 39.018 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 294 | ASN | 0 | -0.005 | -0.010 | 38.733 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 295 | PHE | 0 | 0.024 | 0.009 | 42.059 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 296 | GLY | 0 | -0.019 | 0.011 | 45.163 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 297 | ILE | 0 | 0.015 | -0.008 | 46.875 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 298 | GLY | 0 | 0.037 | 0.025 | 45.343 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 299 | HIS | 0 | -0.015 | -0.012 | 44.221 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 300 | SER | 0 | -0.007 | 0.000 | 40.786 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 301 | ILE | 0 | 0.072 | 0.021 | 36.654 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 302 | LYS | 1 | 0.977 | 0.988 | 36.380 | -0.407 | -0.407 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 303 | ASP | -1 | -0.955 | -0.962 | 39.177 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 304 | LEU | 0 | 0.049 | 0.017 | 42.235 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 305 | LEU | 0 | -0.031 | -0.011 | 37.175 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 306 | GLU | -1 | -0.920 | -0.972 | 40.080 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 307 | ALA | 0 | -0.017 | -0.004 | 43.052 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 308 | HIS | 0 | -0.071 | -0.031 | 44.266 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 309 | THR | 0 | 0.006 | -0.011 | 45.033 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 310 | PRO | 0 | -0.016 | -0.008 | 47.198 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 311 | PRO | 0 | 0.050 | 0.018 | 50.355 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 312 | GLY | 0 | -0.006 | -0.002 | 53.512 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 313 | GLY | 0 | 0.032 | 0.025 | 49.465 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 314 | ARG | 1 | 0.949 | 0.969 | 48.805 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 315 | LEU | 0 | -0.020 | -0.013 | 44.621 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 316 | GLY | 0 | 0.023 | 0.026 | 44.184 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 317 | ARG | 1 | 0.823 | 0.904 | 37.915 | -0.455 | -0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 318 | GLY | 0 | 0.008 | 0.010 | 42.958 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 319 | HIS | 0 | 0.024 | -0.007 | 40.268 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 320 | LYS | 1 | 0.990 | 1.009 | 39.280 | -0.326 | -0.326 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 321 | GLY | 0 | 0.004 | 0.003 | 36.567 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 322 | LEU | 0 | -0.015 | -0.009 | 34.608 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 323 | TYR | 0 | -0.022 | -0.016 | 33.572 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 324 | ASP | -1 | -0.840 | -0.917 | 31.016 | 0.622 | 0.622 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 325 | THR | 0 | -0.066 | -0.019 | 29.515 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 326 | ILE | 0 | -0.013 | 0.005 | 28.920 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 327 | ASN | 0 | -0.053 | -0.035 | 28.156 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 328 | ASN | 0 | -0.033 | -0.034 | 25.689 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 329 | SER | 0 | -0.022 | -0.041 | 23.593 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 330 | ILE | 0 | -0.006 | -0.003 | 20.883 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 331 | HIS | 0 | 0.023 | 0.004 | 18.889 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 332 | PHE | 0 | 0.051 | 0.027 | 24.096 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 333 | GLN | 0 | -0.022 | -0.021 | 26.623 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 334 | LEU | 0 | -0.006 | 0.004 | 22.783 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 335 | GLY | 0 | 0.054 | 0.027 | 26.627 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 336 | LEU | 0 | -0.024 | -0.017 | 28.801 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 337 | ALA | 0 | -0.026 | -0.007 | 28.887 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 338 | LEU | 0 | -0.007 | 0.000 | 25.958 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 339 | ALA | 0 | 0.040 | 0.014 | 30.512 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 340 | SER | 0 | -0.037 | -0.017 | 33.678 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 341 | LEU | 0 | 0.039 | 0.013 | 30.774 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 342 | GLY | 0 | 0.050 | 0.027 | 34.123 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 343 | VAL | 0 | -0.016 | -0.008 | 35.321 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 344 | ILE | 0 | -0.007 | -0.006 | 36.493 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 345 | THR | 0 | -0.032 | -0.021 | 35.862 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 346 | SER | 0 | -0.024 | -0.019 | 38.374 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 347 | LEU | 0 | -0.024 | -0.008 | 40.809 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 348 | VAL | 0 | 0.000 | -0.002 | 40.960 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 349 | ALA | 0 | -0.013 | -0.008 | 41.478 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 350 | GLN | 0 | 0.017 | -0.005 | 43.436 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 351 | HIS | 0 | 0.029 | 0.022 | 46.331 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 352 | MET | 0 | -0.052 | -0.027 | 44.606 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 353 | TYR | 0 | 0.040 | 0.030 | 47.617 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 354 | SER | 0 | -0.028 | 0.002 | 50.023 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 355 | LEU | 0 | -0.022 | -0.025 | 51.353 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 356 | PRO | 0 | 0.015 | 0.017 | 51.236 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 357 | PRO | 0 | -0.006 | -0.001 | 47.556 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 358 | TYR | 0 | -0.033 | -0.035 | 44.454 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 359 | ALA | 0 | 0.040 | 0.016 | 51.295 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 360 | PHE | 0 | -0.017 | -0.012 | 53.277 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 361 | ILE | 0 | -0.036 | -0.013 | 47.292 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 362 | ALA | 0 | 0.022 | 0.013 | 51.743 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 363 | GLN | 0 | 0.019 | 0.009 | 54.210 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 364 | ASP | -1 | -0.787 | -0.850 | 50.158 | 0.355 | 0.355 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 365 | PHE | 0 | 0.035 | -0.002 | 50.830 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 366 | THR | 0 | -0.054 | -0.035 | 48.606 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 367 | THR | 0 | -0.026 | -0.027 | 46.178 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 368 | GLN | 0 | -0.039 | -0.025 | 46.073 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 369 | ALA | 0 | 0.034 | 0.011 | 46.812 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 370 | ALA | 0 | -0.003 | 0.009 | 42.684 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 371 | LEU | 0 | -0.017 | -0.015 | 41.690 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 372 | TYR | 0 | -0.001 | 0.007 | 41.938 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 373 | THR | 0 | 0.007 | -0.016 | 40.308 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 374 | HIS | 0 | -0.048 | -0.029 | 35.763 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 375 | HIS | 0 | 0.021 | 0.017 | 37.287 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 376 | GLN | 0 | 0.095 | 0.055 | 37.908 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 377 | TYR | 0 | 0.026 | 0.006 | 35.473 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 378 | ILE | 0 | -0.038 | -0.008 | 31.970 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 379 | ALA | 0 | 0.026 | 0.011 | 33.243 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 380 | GLY | 0 | 0.038 | 0.018 | 34.702 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 381 | PHE | 0 | 0.001 | -0.011 | 29.552 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 382 | ILE | 0 | -0.021 | 0.000 | 28.914 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 383 | MET | 0 | 0.001 | 0.005 | 30.478 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 384 | THR | 0 | -0.047 | -0.045 | 29.592 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 385 | GLY | 0 | 0.007 | 0.002 | 26.963 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 386 | ALA | 0 | -0.001 | 0.003 | 27.032 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 387 | PHE | 0 | 0.004 | -0.006 | 28.928 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 388 | ALA | 0 | -0.014 | 0.013 | 25.082 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 389 | HIS | 0 | -0.004 | -0.017 | 20.804 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 390 | GLY | 0 | 0.017 | 0.016 | 25.264 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 391 | ALA | 0 | -0.002 | -0.009 | 26.399 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 392 | ILE | 0 | -0.032 | -0.012 | 20.436 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 393 | PHE | 0 | 0.010 | 0.008 | 23.008 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 394 | PHE | 0 | 0.003 | -0.012 | 25.084 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 395 | ILE | 0 | -0.081 | -0.028 | 21.412 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 396 | ARG | 1 | 0.793 | 0.898 | 15.296 | -2.976 | -2.976 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 397 | ASP | -1 | -0.771 | -0.849 | 21.309 | 1.576 | 1.576 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 398 | TYR | 0 | -0.067 | -0.024 | 23.857 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 399 | ASN | 0 | 0.000 | -0.013 | 27.431 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 400 | PRO | 0 | 0.013 | 0.000 | 28.798 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 401 | GLU | -1 | -0.757 | -0.862 | 30.762 | 0.545 | 0.545 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 402 | GLN | 0 | -0.073 | -0.051 | 28.493 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 403 | ASN | 0 | -0.054 | -0.047 | 31.432 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 404 | GLU | -1 | -0.890 | -0.927 | 35.195 | 0.487 | 0.487 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 405 | ASP | -1 | -0.791 | -0.900 | 37.904 | 0.368 | 0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 406 | ASN | 0 | -0.001 | 0.017 | 35.523 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 407 | VAL | 0 | -0.007 | -0.028 | 38.546 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 408 | LEU | 0 | -0.035 | -0.001 | 31.695 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 409 | ALA | 0 | 0.023 | 0.007 | 35.801 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 410 | ARG | 1 | 0.846 | 0.924 | 36.697 | -0.400 | -0.400 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 411 | MET | 0 | -0.049 | -0.037 | 36.888 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 412 | LEU | 0 | -0.013 | -0.001 | 33.081 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 413 | ASP | -1 | -0.883 | -0.944 | 36.938 | 0.508 | 0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 414 | HIS | 1 | 0.843 | 0.932 | 40.234 | -0.527 | -0.527 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 415 | LYS | 1 | 0.906 | 0.952 | 35.461 | -0.638 | -0.638 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 416 | GLU | -1 | -0.803 | -0.896 | 39.373 | 0.557 | 0.557 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 417 | ALA | 0 | 0.003 | 0.024 | 41.710 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 418 | ILE | 0 | -0.004 | 0.007 | 39.614 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 419 | ILE | 0 | 0.025 | 0.008 | 36.908 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 420 | SER | 0 | -0.012 | -0.021 | 40.994 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 421 | HIS | 0 | -0.010 | -0.003 | 44.543 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 422 | LEU | 0 | 0.030 | 0.017 | 40.354 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 423 | SER | 0 | -0.053 | -0.023 | 43.120 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 424 | TRP | 0 | 0.016 | 0.003 | 44.552 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 425 | ALA | 0 | 0.025 | 0.009 | 46.420 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 426 | SER | 0 | -0.003 | -0.017 | 43.982 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 427 | LEU | 0 | -0.012 | -0.008 | 46.316 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 428 | PHE | 0 | -0.030 | 0.002 | 48.833 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 429 | LEU | 0 | 0.044 | 0.019 | 47.774 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 430 | GLY | 0 | 0.033 | 0.026 | 49.099 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 431 | PHE | 0 | -0.016 | -0.018 | 49.804 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 432 | HIS | 0 | -0.042 | -0.022 | 53.065 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 433 | THR | 0 | -0.014 | -0.017 | 51.042 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 434 | LEU | 0 | -0.014 | -0.006 | 51.009 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 435 | GLY | 0 | 0.014 | 0.009 | 53.651 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 436 | LEU | 0 | 0.001 | -0.010 | 57.179 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 437 | TYR | 0 | 0.007 | 0.007 | 51.925 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 438 | VAL | 0 | 0.002 | -0.006 | 55.446 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 439 | HIS | 0 | -0.050 | -0.017 | 58.099 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 440 | ASN | 0 | -0.004 | -0.005 | 60.332 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 441 | ASP | -1 | -0.876 | -0.944 | 57.926 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 442 | VAL | 0 | -0.012 | 0.001 | 60.938 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 443 | MET | 0 | -0.037 | -0.019 | 63.393 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 444 | LEU | 0 | 0.012 | 0.021 | 63.345 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 445 | ALA | 0 | -0.017 | -0.003 | 63.373 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 446 | PHE | 0 | -0.076 | -0.048 | 65.442 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 447 | GLY | 0 | -0.008 | 0.004 | 68.334 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 448 | THR | 0 | -0.088 | -0.046 | 69.328 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 449 | PRO | 0 | 0.032 | 0.004 | 67.707 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 450 | GLU | -1 | -0.857 | -0.938 | 68.293 | 0.212 | 0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 451 | LYS | 1 | 0.889 | 0.953 | 69.685 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 452 | GLN | 0 | -0.025 | -0.006 | 63.912 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 453 | ILE | 0 | -0.019 | -0.014 | 62.484 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 454 | LEU | 0 | 0.006 | 0.003 | 62.613 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 455 | ILE | 0 | -0.017 | -0.007 | 60.299 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 456 | GLU | -1 | -0.796 | -0.908 | 61.770 | 0.263 | 0.263 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 457 | PRO | 0 | -0.027 | 0.008 | 58.805 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 458 | ILE | 0 | 0.021 | -0.002 | 60.491 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 459 | PHE | 0 | -0.003 | -0.007 | 58.797 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 460 | ALA | 0 | 0.030 | 0.015 | 57.071 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 461 | GLN | 0 | -0.022 | -0.004 | 58.915 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 462 | TRP | 0 | 0.003 | 0.019 | 61.836 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 463 | ILE | 0 | 0.013 | 0.003 | 56.564 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 464 | GLN | 0 | 0.018 | -0.005 | 57.900 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 465 | SER | 0 | -0.012 | -0.015 | 61.105 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 466 | ALA | 0 | -0.057 | -0.018 | 61.835 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 467 | HIS | 0 | -0.062 | -0.040 | 57.201 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 468 | GLY | 0 | 0.025 | 0.022 | 61.630 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 469 | LYS | 1 | 0.851 | 0.939 | 62.168 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 470 | THR | 0 | 0.045 | -0.003 | 64.999 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 471 | THR | 0 | -0.046 | -0.021 | 66.936 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 472 | TYR | 0 | -0.003 | -0.002 | 62.763 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 473 | GLY | 0 | -0.004 | 0.008 | 68.475 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 474 | PHE | 0 | -0.024 | -0.029 | 66.597 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 475 | ASP | -1 | -0.858 | -0.889 | 70.385 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 476 | ILE | 0 | 0.036 | 0.020 | 66.418 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 477 | LEU | 0 | -0.015 | -0.023 | 64.152 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 478 | LEU | 0 | -0.032 | -0.026 | 62.612 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 479 | SER | 0 | -0.001 | 0.006 | 66.835 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 480 | SER | 0 | -0.023 | -0.006 | 69.221 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 481 | THR | 0 | -0.016 | -0.028 | 71.918 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 482 | ASN | 0 | 0.000 | 0.009 | 74.395 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 483 | GLY | 0 | 0.026 | 0.024 | 70.535 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 484 | PRO | 0 | 0.001 | -0.019 | 69.597 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 485 | ALA | 0 | 0.016 | 0.009 | 65.336 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 486 | PHE | 0 | 0.051 | 0.033 | 67.350 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 487 | ASN | 0 | -0.029 | -0.028 | 69.099 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 488 | ALA | 0 | -0.035 | -0.009 | 67.914 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 489 | GLY | 0 | 0.062 | 0.028 | 66.526 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 490 | ARG | 1 | 0.889 | 0.929 | 67.184 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 491 | SER | 0 | -0.026 | -0.011 | 69.681 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 492 | LEU | 0 | -0.065 | -0.019 | 64.459 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 493 | TRP | 0 | 0.080 | 0.031 | 62.057 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 494 | LEU | 0 | -0.047 | -0.004 | 64.055 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 495 | PRO | 0 | 0.006 | 0.004 | 66.041 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 496 | GLY | 0 | 0.022 | 0.021 | 64.266 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 497 | TRP | 0 | -0.012 | -0.017 | 56.973 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 498 | LEU | 0 | -0.027 | -0.024 | 62.929 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 499 | ASN | 0 | -0.017 | -0.013 | 65.806 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 500 | ALA | 0 | 0.023 | 0.025 | 60.620 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 501 | VAL | 0 | -0.022 | -0.007 | 60.362 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 502 | ASN | 0 | -0.058 | -0.037 | 62.644 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 503 | GLU | -1 | -0.888 | -0.903 | 64.227 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 504 | ASN | 0 | -0.036 | -0.042 | 63.254 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 505 | SER | 0 | -0.086 | -0.052 | 62.556 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 506 | ASN | 0 | 0.030 | 0.025 | 59.064 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 507 | SER | 0 | 0.015 | -0.021 | 53.997 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 508 | LEU | 0 | -0.025 | -0.005 | 55.285 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 509 | PHE | 0 | -0.060 | -0.034 | 56.432 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 510 | LEU | 0 | 0.068 | 0.045 | 55.286 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 511 | THR | 0 | 0.011 | 0.006 | 58.850 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 512 | ILE | 0 | -0.018 | -0.004 | 57.068 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 513 | GLY | 0 | 0.057 | 0.020 | 59.880 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 514 | PRO | 0 | 0.021 | 0.003 | 59.622 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 515 | GLY | 0 | 0.038 | 0.020 | 57.915 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 516 | ASP | -1 | -0.725 | -0.839 | 55.283 | 0.339 | 0.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 517 | PHE | 0 | 0.014 | 0.012 | 54.710 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 518 | LEU | 0 | 0.007 | 0.008 | 54.941 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 519 | VAL | 0 | 0.036 | 0.022 | 50.141 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 520 | HIS | 0 | -0.039 | -0.031 | 50.199 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 521 | HIS | 0 | -0.049 | -0.017 | 49.932 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 522 | ALA | 0 | 0.016 | 0.016 | 48.578 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 523 | ILE | 0 | 0.013 | 0.002 | 45.026 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 524 | ALA | 0 | -0.005 | 0.003 | 45.013 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 525 | LEU | 0 | -0.006 | 0.010 | 45.294 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 526 | GLY | 0 | 0.056 | 0.028 | 42.462 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 527 | LEU | 0 | 0.014 | 0.017 | 40.709 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 528 | HIS | 0 | -0.061 | -0.029 | 40.721 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 529 | THR | 0 | 0.000 | 0.012 | 40.340 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 530 | THR | 0 | 0.000 | -0.025 | 35.699 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 531 | THR | 0 | -0.041 | -0.033 | 36.250 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 532 | LEU | 0 | -0.027 | -0.005 | 37.077 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 533 | ILE | 0 | -0.012 | -0.009 | 33.115 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 534 | LEU | 0 | 0.017 | 0.014 | 30.892 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 535 | VAL | 0 | -0.016 | -0.007 | 32.472 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 536 | LYS | 1 | 0.924 | 0.966 | 32.823 | -0.816 | -0.816 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 537 | GLY | 0 | -0.010 | -0.020 | 30.826 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 538 | ALA | 0 | -0.002 | -0.005 | 29.570 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 539 | LEU | 0 | -0.025 | -0.014 | 30.586 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 540 | ASP | -1 | -0.918 | -0.956 | 32.518 | 0.717 | 0.717 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 541 | ALA | 0 | -0.029 | -0.009 | 27.096 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 542 | ARG | 1 | 0.906 | 0.942 | 26.821 | -0.944 | -0.944 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 543 | GLY | 0 | 0.061 | 0.033 | 28.844 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 544 | SER | 0 | -0.032 | -0.011 | 31.138 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 545 | LYS | 1 | 0.950 | 0.948 | 34.389 | -0.481 | -0.481 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 546 | LEU | 0 | -0.005 | 0.020 | 33.721 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 547 | MET | 0 | 0.005 | 0.012 | 27.737 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 548 | PRO | 0 | -0.030 | -0.008 | 31.107 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 549 | ASP | -1 | -0.860 | -0.942 | 28.087 | 0.824 | 0.824 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 550 | LYS | 1 | 0.851 | 0.933 | 25.811 | -0.964 | -0.964 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 551 | LYS | 1 | 0.858 | 0.916 | 24.621 | -0.783 | -0.783 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 552 | ASP | -1 | -0.878 | -0.926 | 22.797 | 1.094 | 1.094 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 553 | PHE | 0 | -0.052 | -0.022 | 21.059 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 554 | GLY | 0 | -0.001 | 0.012 | 19.281 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 555 | TYR | 0 | 0.025 | 0.000 | 19.511 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 556 | SER | 0 | -0.014 | -0.030 | 18.353 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 557 | PHE | 0 | 0.015 | 0.018 | 19.207 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 558 | PRO | 0 | -0.014 | -0.022 | 20.527 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 559 | CYS | 0 | -0.058 | -0.007 | 23.593 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 560 | ASP | -1 | -0.788 | -0.887 | 25.383 | 0.943 | 0.943 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 561 | GLY | 0 | 0.029 | 0.009 | 27.860 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 562 | PRO | 0 | -0.013 | -0.022 | 29.321 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 563 | GLY | 0 | 0.028 | 0.017 | 32.706 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 564 | ARG | 1 | 0.860 | 0.893 | 30.617 | -0.646 | -0.646 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 565 | GLY | 0 | 0.040 | 0.032 | 36.884 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 566 | GLY | 0 | -0.018 | 0.015 | 33.967 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 567 | THR | 0 | 0.005 | -0.009 | 30.274 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 568 | CYS | 0 | -0.022 | -0.021 | 29.615 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 569 | ASP | -1 | -0.860 | -0.931 | 28.712 | 1.018 | 1.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 570 | ILE | 0 | 0.012 | 0.018 | 27.771 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 571 | SER | 0 | -0.042 | -0.010 | 24.179 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 572 | ALA | 0 | 0.035 | 0.006 | 25.475 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 573 | TRP | 0 | -0.036 | -0.010 | 21.363 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 574 | ASP | -1 | -0.752 | -0.886 | 24.614 | 1.378 | 1.378 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 575 | ALA | 0 | 0.010 | 0.011 | 27.186 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 576 | PHE | 0 | -0.005 | -0.002 | 24.759 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 577 | TYR | 0 | -0.015 | -0.015 | 26.594 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 578 | LEU | 0 | 0.005 | -0.006 | 28.405 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 579 | ALA | 0 | 0.004 | 0.009 | 31.430 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 580 | VAL | 0 | -0.006 | 0.001 | 28.755 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 581 | PHE | 0 | 0.000 | 0.003 | 31.817 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 582 | TRP | 0 | 0.047 | 0.021 | 34.994 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 583 | MET | 0 | -0.027 | 0.039 | 32.600 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 584 | LEU | 0 | 0.020 | -0.005 | 32.870 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 585 | ASN | 0 | -0.026 | -0.001 | 36.879 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 586 | THR | 0 | 0.016 | -0.003 | 39.852 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 587 | ILE | 0 | -0.014 | -0.012 | 37.736 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 588 | GLY | 0 | 0.032 | 0.040 | 40.754 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 589 | TRP | 0 | -0.013 | -0.007 | 42.350 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 590 | VAL | 0 | -0.003 | -0.005 | 43.636 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 591 | THR | 0 | -0.020 | -0.023 | 42.714 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 592 | PHE | 0 | -0.033 | -0.016 | 44.316 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 593 | TYR | 0 | -0.048 | -0.046 | 47.799 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 594 | TRP | 0 | 0.014 | 0.023 | 47.870 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 595 | HIS | 0 | 0.062 | 0.056 | 48.269 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 596 | TRP | 0 | 0.002 | 0.001 | 50.259 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 597 | LYS | 1 | 0.867 | 0.936 | 53.235 | -0.331 | -0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 598 | HIS | 0 | -0.019 | -0.009 | 51.778 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 599 | ILE | 0 | -0.034 | -0.011 | 53.061 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 600 | THR | 0 | -0.056 | -0.038 | 55.456 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 601 | LEU | 0 | -0.022 | 0.000 | 57.068 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 602 | TRP | 0 | -0.010 | -0.009 | 51.184 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 603 | GLN | 0 | -0.034 | -0.017 | 58.855 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 604 | GLY | 0 | 0.005 | 0.010 | 61.406 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 605 | ASN | 0 | -0.001 | 0.015 | 62.661 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 606 | VAL | 0 | 0.058 | 0.017 | 59.899 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 607 | SER | 0 | -0.055 | -0.032 | 62.177 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 608 | GLN | 0 | 0.075 | 0.030 | 60.980 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 609 | PHE | 0 | 0.000 | 0.007 | 54.933 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 610 | ASN | 0 | 0.003 | -0.005 | 60.096 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 611 | GLU | -1 | -0.959 | -0.959 | 62.122 | 0.237 | 0.237 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 612 | SER | 0 | -0.038 | -0.056 | 60.817 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 613 | SER | 0 | -0.029 | -0.028 | 56.428 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 614 | THR | 0 | -0.022 | -0.014 | 57.030 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 615 | TYR | 0 | 0.044 | 0.031 | 58.229 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 616 | LEU | 0 | 0.031 | 0.008 | 52.580 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 617 | MET | 0 | 0.024 | 0.000 | 55.372 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 618 | GLY | 0 | 0.004 | 0.032 | 57.738 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | A | 619 | TRP | 0 | -0.020 | -0.025 | 50.489 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | A | 620 | LEU | 0 | -0.030 | -0.017 | 51.666 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | A | 621 | ARG | 1 | 0.858 | 0.917 | 54.180 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | A | 622 | ASP | -1 | -0.773 | -0.866 | 57.230 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | A | 623 | TYR | 0 | -0.039 | -0.034 | 48.854 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | A | 624 | LEU | 0 | 0.008 | 0.000 | 48.705 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | A | 625 | TRP | 0 | -0.012 | 0.016 | 52.282 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | A | 626 | LEU | 0 | 0.008 | 0.006 | 54.633 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | A | 627 | ASN | 0 | -0.060 | -0.046 | 53.051 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | A | 628 | SER | 0 | -0.038 | -0.026 | 50.560 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | A | 629 | SER | 0 | 0.017 | 0.015 | 52.120 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | A | 630 | GLN | 0 | -0.011 | -0.005 | 54.085 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | A | 631 | LEU | 0 | -0.038 | -0.006 | 46.732 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | A | 632 | ILE | 0 | -0.010 | -0.022 | 50.099 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | A | 633 | ASN | 0 | 0.024 | 0.029 | 51.743 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | A | 634 | GLY | 0 | 0.003 | 0.007 | 50.729 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | A | 635 | TYR | 0 | -0.032 | -0.041 | 46.600 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | A | 636 | ASN | 0 | 0.015 | 0.007 | 52.214 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | A | 637 | PRO | 0 | -0.002 | -0.011 | 54.793 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | A | 638 | PHE | 0 | -0.027 | -0.011 | 56.627 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | A | 639 | GLY | 0 | 0.000 | 0.012 | 55.684 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | A | 640 | MET | 0 | -0.042 | -0.013 | 49.183 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | A | 641 | ASN | 0 | 0.025 | 0.025 | 52.490 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | A | 642 | SER | 0 | 0.055 | 0.017 | 50.886 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | A | 643 | LEU | 0 | -0.026 | -0.012 | 49.120 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | A | 644 | SER | 0 | -0.026 | 0.000 | 48.134 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | A | 645 | VAL | 0 | 0.058 | 0.017 | 42.419 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | A | 646 | TRP | 0 | 0.031 | 0.012 | 41.279 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | A | 647 | ALA | 0 | 0.045 | 0.015 | 44.569 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | A | 648 | TRP | 0 | 0.009 | 0.013 | 37.613 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | A | 649 | MET | 0 | -0.016 | -0.011 | 38.685 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | A | 650 | PHE | 0 | 0.008 | 0.000 | 40.289 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | A | 651 | LEU | 0 | -0.002 | -0.003 | 42.045 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | A | 652 | PHE | 0 | -0.030 | -0.007 | 33.348 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | A | 653 | GLY | 0 | 0.018 | 0.007 | 37.261 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | A | 654 | HIS | 0 | 0.043 | 0.004 | 37.768 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | A | 655 | LEU | 0 | -0.027 | 0.014 | 36.655 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | A | 656 | VAL | 0 | -0.033 | -0.012 | 32.036 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | A | 657 | TRP | 0 | 0.002 | -0.001 | 33.814 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | A | 658 | ALA | 0 | 0.002 | 0.004 | 35.417 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | A | 659 | THR | 0 | -0.034 | -0.037 | 31.341 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | A | 660 | GLY | 0 | 0.016 | -0.001 | 31.188 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 660 | A | 661 | PHE | 0 | -0.007 | -0.011 | 31.873 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 661 | A | 662 | MET | 0 | -0.020 | 0.009 | 32.076 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 662 | A | 663 | PHE | 0 | -0.004 | -0.015 | 26.108 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 663 | A | 664 | LEU | 0 | -0.029 | -0.004 | 29.589 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 664 | A | 665 | ILE | 0 | 0.011 | 0.026 | 31.464 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 665 | A | 666 | SER | 0 | -0.028 | -0.006 | 31.554 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 666 | A | 667 | TRP | 0 | -0.019 | -0.019 | 29.120 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 667 | A | 668 | ARG | 1 | 0.757 | 0.861 | 21.489 | -1.322 | -1.322 | 0.000 | 0.000 | 0.000 | 0.000 |
| 668 | A | 669 | GLY | 0 | 0.006 | 0.008 | 27.156 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 669 | A | 670 | TYR | 0 | 0.105 | 0.054 | 28.999 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 670 | A | 671 | TRP | 0 | -0.002 | -0.011 | 27.016 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 671 | A | 672 | GLN | 0 | -0.005 | 0.011 | 23.447 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
| 672 | A | 673 | GLU | -1 | -0.896 | -0.949 | 26.603 | 0.508 | 0.508 | 0.000 | 0.000 | 0.000 | 0.000 |
| 673 | A | 674 | LEU | 0 | 0.023 | 0.013 | 29.950 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 674 | A | 675 | ILE | 0 | -0.043 | -0.024 | 23.722 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 675 | A | 676 | GLU | -1 | -0.938 | -0.957 | 26.549 | 0.442 | 0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
| 676 | A | 677 | THR | 0 | -0.043 | -0.035 | 28.004 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 677 | A | 678 | LEU | 0 | 0.011 | -0.001 | 28.469 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 678 | A | 679 | ALA | 0 | -0.035 | -0.011 | 25.497 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 679 | A | 680 | TRP | 0 | 0.026 | 0.008 | 27.235 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 680 | A | 681 | ALA | 0 | 0.015 | 0.005 | 30.226 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 681 | A | 682 | HIS | 0 | -0.045 | -0.008 | 26.543 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 682 | A | 683 | GLU | -1 | -0.984 | -0.994 | 27.613 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 683 | A | 684 | ARG | 1 | 0.902 | 0.953 | 29.372 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 684 | A | 685 | THR | 0 | 0.004 | 0.000 | 32.436 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 685 | A | 686 | PRO | 0 | 0.001 | -0.011 | 32.936 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 686 | A | 687 | LEU | 0 | -0.003 | -0.005 | 33.648 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 687 | A | 688 | ALA | 0 | -0.011 | 0.008 | 30.386 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 688 | A | 689 | ASN | 0 | 0.038 | 0.016 | 28.685 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 689 | A | 690 | LEU | 0 | -0.035 | -0.020 | 28.129 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 690 | A | 691 | ILE | 0 | -0.022 | -0.001 | 24.541 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 691 | A | 692 | ARG | 1 | 0.937 | 0.977 | 21.771 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 692 | A | 693 | TRP | 0 | 0.065 | 0.036 | 19.139 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 693 | A | 694 | ARG | 1 | 0.917 | 0.939 | 12.725 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
| 694 | A | 695 | ASP | -1 | -0.856 | -0.909 | 12.963 | 1.554 | 1.554 | 0.000 | 0.000 | 0.000 | 0.000 |
| 695 | A | 696 | LYS | 1 | 0.945 | 0.965 | 15.883 | -0.462 | -0.462 | 0.000 | 0.000 | 0.000 | 0.000 |
| 696 | A | 697 | PRO | 0 | 0.038 | 0.029 | 18.172 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
| 697 | A | 698 | VAL | 0 | -0.014 | -0.018 | 18.611 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 698 | A | 699 | ALA | 0 | 0.063 | 0.035 | 20.257 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
| 699 | A | 700 | LEU | 0 | 0.057 | 0.033 | 19.745 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
| 700 | A | 701 | SER | 0 | 0.011 | 0.001 | 18.274 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
| 701 | A | 702 | ILE | 0 | 0.062 | 0.028 | 20.397 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 702 | A | 703 | VAL | 0 | 0.054 | 0.020 | 19.326 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 703 | A | 704 | GLN | 0 | -0.011 | -0.005 | 17.877 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 704 | A | 705 | ALA | 0 | -0.008 | 0.003 | 21.146 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 705 | A | 706 | ARG | 1 | 0.820 | 0.909 | 24.770 | -1.339 | -1.339 | 0.000 | 0.000 | 0.000 | 0.000 |
| 706 | A | 707 | LEU | 0 | 0.017 | 0.010 | 20.123 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 707 | A | 708 | VAL | 0 | -0.025 | -0.016 | 23.378 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 708 | A | 709 | GLY | 0 | 0.041 | 0.018 | 25.080 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 709 | A | 710 | LEU | 0 | 0.020 | 0.013 | 27.185 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 710 | A | 711 | ALA | 0 | -0.018 | 0.013 | 25.416 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 711 | A | 712 | HIS | 0 | 0.014 | 0.013 | 27.579 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 712 | A | 713 | PHE | 0 | 0.036 | 0.020 | 30.304 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 713 | A | 714 | SER | 0 | -0.034 | -0.044 | 29.709 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 714 | A | 715 | VAL | 0 | 0.013 | 0.004 | 29.029 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 715 | A | 716 | GLY | 0 | 0.019 | 0.007 | 32.147 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 716 | A | 717 | TYR | 0 | -0.047 | -0.040 | 35.307 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 717 | A | 718 | ILE | 0 | -0.028 | -0.004 | 33.908 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 718 | A | 719 | PHE | 0 | 0.001 | -0.008 | 32.866 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 719 | A | 720 | THR | 0 | 0.014 | 0.005 | 37.662 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 720 | A | 721 | TYR | 0 | 0.020 | 0.006 | 40.267 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 721 | A | 722 | ALA | 0 | 0.010 | 0.011 | 39.113 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 722 | A | 723 | ALA | 0 | 0.000 | -0.006 | 41.154 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 723 | A | 724 | PHE | 0 | -0.030 | -0.017 | 43.104 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 724 | A | 725 | LEU | 0 | -0.020 | 0.008 | 43.766 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 725 | A | 726 | ILE | 0 | 0.034 | 0.019 | 43.328 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 726 | A | 727 | ALA | 0 | -0.004 | -0.006 | 46.407 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 727 | A | 728 | SER | 0 | -0.054 | -0.030 | 48.757 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 728 | A | 729 | THR | 0 | 0.019 | 0.019 | 49.559 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 729 | A | 730 | SER | 0 | 0.020 | -0.002 | 49.359 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 730 | A | 731 | GLY | 0 | -0.048 | -0.033 | 51.420 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 731 | A | 732 | LYS | 1 | 0.811 | 0.924 | 54.021 | -0.324 | -0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
| 732 | A | 733 | PHE | 0 | -0.066 | -0.036 | 51.873 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 733 | A | 734 | GLY | -1 | -0.812 | -0.904 | 55.886 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |