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: XN2RQ
Calculation Name: 1E5M-A-Xray41
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1E5M
Chain ID: A
UniProt ID: P73283
Base Structure: X-ray
Registration Date: 2019-02-15
Reference:
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptH |
| Protonation | MOE:Protonate 3D |
| Complement | Missing residues were capped by ACE, NME. Missing atoms were corrected by Structure prepareation by MOE. |
| Water | Apo structure with with a 3 angstrom solvent shell. |
| Procedure | Auto-FMO protocol ver. 1.20180227 |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 660 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | MIZUHO/ABINIT-MP 3.0 |
Total energy (hartree)
| FMO2-HF: Electronic energy | -8349510.073359 |
|---|---|
| FMO2-HF: Nuclear repulsion | 8175019.50075 |
| FMO2-HF: Total energy | -174490.572609 |
| FMO2-MP2: Total energy | -174983.495849 |
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:5:ACE)
Summations of interaction energy for
fragment #1(A:5:ACE)
| 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. |
| -1.157 | -0.498 | -0.01 | -0.268 | -0.381 | 0 |
Interaction energy analysis for fragmet #1(A:5:ACE)
| 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 | 7 | LYS | 1 | 0.841 | 0.935 | 3.867 | 1.553 | 2.212 | -0.010 | -0.268 | -0.381 | 0.000 |
| 4 | A | 8 | ARG | 1 | 0.814 | 0.875 | 6.747 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 5 | A | 9 | VAL | 0 | -0.043 | -0.023 | 9.471 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 10 | VAL | 0 | 0.028 | 0.019 | 12.743 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 11 | VAL | 0 | -0.005 | -0.003 | 16.182 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 12 | THR | 0 | 0.008 | -0.008 | 18.998 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 13 | GLY | 0 | 0.006 | 0.006 | 21.695 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 14 | LEU | 0 | -0.014 | -0.007 | 24.357 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 15 | GLY | 0 | 0.025 | 0.013 | 27.042 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 16 | ALA | 0 | -0.040 | -0.029 | 29.844 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 17 | ILE | 0 | -0.033 | 0.010 | 32.517 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 18 | THR | 0 | 0.018 | -0.004 | 34.515 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 19 | PRO | 0 | -0.003 | 0.008 | 37.262 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 20 | ILE | 0 | 0.008 | 0.019 | 37.075 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 21 | GLY | 0 | 0.041 | 0.028 | 38.884 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 22 | ASN | 0 | -0.017 | -0.014 | 37.859 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 23 | THR | 0 | 0.018 | 0.011 | 35.751 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 24 | LEU | 0 | 0.024 | 0.018 | 29.755 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 25 | GLN | 0 | -0.014 | -0.008 | 33.429 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 26 | ASP | -1 | -0.784 | -0.863 | 35.887 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 27 | TYR | 0 | -0.055 | -0.049 | 31.224 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 28 | TRP | 0 | 0.027 | -0.003 | 31.072 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 29 | GLN | 0 | 0.039 | 0.037 | 34.972 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 30 | GLY | 0 | 0.032 | 0.003 | 38.475 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 31 | LEU | 0 | -0.028 | -0.018 | 33.102 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 32 | MET | 0 | -0.045 | -0.019 | 34.113 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 33 | GLU | -1 | -0.860 | -0.889 | 38.116 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 34 | GLY | 0 | 0.031 | 0.010 | 40.194 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 35 | ARG | 1 | 0.777 | 0.900 | 41.091 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 36 | ASN | 0 | 0.024 | -0.011 | 41.712 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 37 | GLY | 0 | 0.007 | 0.009 | 42.409 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 38 | ILE | 0 | -0.053 | -0.021 | 41.945 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 39 | GLY | 0 | 0.028 | 0.010 | 45.397 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 40 | PRO | 0 | 0.003 | 0.005 | 48.554 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 41 | ILE | 0 | 0.004 | 0.028 | 46.684 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 42 | THR | 0 | -0.113 | -0.067 | 49.200 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 43 | ARG | 1 | 0.874 | 0.945 | 44.862 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 44 | PHE | 0 | -0.057 | -0.029 | 47.192 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 45 | ASP | -1 | -0.832 | -0.896 | 51.470 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 46 | ALA | 0 | 0.024 | 0.001 | 51.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 47 | SER | 0 | -0.030 | -0.024 | 53.313 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 48 | ASP | -1 | -0.844 | -0.910 | 55.164 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 49 | GLN | 0 | -0.028 | 0.002 | 50.518 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 50 | ALA | 0 | -0.006 | 0.003 | 50.996 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 51 | CYS | 0 | -0.039 | 0.021 | 47.711 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 52 | ARG | 1 | 0.880 | 0.919 | 50.154 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 53 | PHE | 0 | 0.023 | -0.003 | 46.345 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 54 | GLY | 0 | 0.068 | 0.030 | 44.707 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 55 | GLY | 0 | 0.016 | 0.007 | 41.840 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 56 | GLU | -1 | -0.736 | -0.869 | 41.536 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 57 | VAL | 0 | -0.065 | -0.022 | 39.027 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 58 | LYS | 1 | 0.815 | 0.895 | 42.068 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 59 | ASP | -1 | -0.908 | -0.950 | 44.084 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 60 | PHE | 0 | -0.039 | -0.024 | 38.918 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 61 | ASP | -1 | -0.851 | -0.913 | 43.557 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 62 | ALA | 0 | 0.057 | 0.020 | 40.860 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 63 | THR | 0 | -0.123 | -0.075 | 41.532 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 64 | GLN | 0 | -0.039 | 0.000 | 42.774 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 65 | PHE | 0 | 0.004 | -0.002 | 38.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 66 | LEU | 0 | -0.011 | 0.003 | 36.749 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 67 | ASP | -1 | -0.763 | -0.863 | 40.318 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 68 | ARG | 1 | 0.991 | 0.983 | 42.494 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 69 | LYS | 1 | 0.896 | 0.961 | 45.101 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 70 | GLU | -1 | -0.741 | -0.839 | 38.560 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 71 | ALA | 0 | 0.028 | 0.027 | 41.238 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 72 | LYS | 1 | 0.892 | 0.946 | 42.235 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 73 | ARG | 1 | 0.849 | 0.937 | 42.312 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 74 | MET | 0 | 0.048 | 0.050 | 37.271 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 75 | ASP | -1 | -0.725 | -0.870 | 39.347 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 76 | ARG | 1 | 0.856 | 0.914 | 39.127 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 77 | PHE | 0 | 0.005 | 0.001 | 33.573 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 78 | CYS | 0 | -0.027 | 0.035 | 34.658 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 79 | HIS | 0 | 0.013 | 0.002 | 35.259 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 80 | PHE | 0 | -0.009 | -0.004 | 35.025 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 81 | ALA | 0 | 0.049 | 0.029 | 30.930 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 82 | VAL | 0 | 0.031 | 0.024 | 31.262 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 83 | CYS | 0 | -0.051 | -0.007 | 32.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 84 | ALA | 0 | 0.055 | 0.032 | 31.178 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 85 | SER | 0 | 0.035 | -0.011 | 28.549 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 86 | GLN | 0 | -0.015 | 0.005 | 29.027 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 87 | GLN | 0 | -0.027 | 0.001 | 31.115 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 88 | ALA | 0 | 0.018 | 0.014 | 26.234 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 89 | ILE | 0 | 0.039 | 0.022 | 25.158 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 90 | ASN | 0 | -0.006 | -0.013 | 27.608 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 91 | ASP | -1 | -0.795 | -0.838 | 27.706 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 92 | ALA | 0 | 0.020 | 0.013 | 23.893 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 93 | LYS | 1 | 0.896 | 0.938 | 25.494 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 94 | LEU | 0 | -0.007 | 0.016 | 22.097 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 95 | VAL | 0 | 0.013 | -0.004 | 25.463 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 96 | ILE | 0 | -0.017 | 0.012 | 24.785 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 97 | ASN | 0 | 0.042 | 0.027 | 26.316 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 98 | GLU | -1 | -0.932 | -0.990 | 26.562 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 99 | LEU | 0 | -0.044 | -0.013 | 24.998 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 100 | ASN | 0 | 0.041 | 0.020 | 21.401 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 101 | ALA | 0 | 0.041 | 0.030 | 21.925 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 102 | ASP | -1 | -0.852 | -0.916 | 21.901 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 103 | GLU | -1 | -0.933 | -0.957 | 17.330 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 104 | ILE | 0 | 0.023 | 0.007 | 18.139 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 105 | GLY | 0 | 0.041 | 0.012 | 20.018 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 106 | VAL | 0 | -0.052 | -0.027 | 21.508 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 107 | LEU | 0 | -0.053 | -0.030 | 19.492 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 108 | ILE | 0 | -0.005 | 0.012 | 23.179 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 109 | GLY | 0 | 0.032 | 0.024 | 26.290 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 110 | THR | 0 | -0.040 | -0.039 | 27.502 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 111 | GLY | 0 | 0.000 | -0.010 | 30.917 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 112 | ILE | 0 | -0.028 | -0.032 | 33.021 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 113 | GLY | 0 | 0.027 | 0.046 | 35.252 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 114 | GLY | 0 | 0.039 | 0.032 | 36.097 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 115 | LEU | 0 | -0.013 | -0.008 | 39.415 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 116 | LYS | 1 | 0.914 | 0.977 | 41.835 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 117 | VAL | 0 | -0.001 | 0.007 | 42.312 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 118 | LEU | 0 | 0.027 | -0.012 | 41.383 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 119 | GLU | -1 | -0.722 | -0.807 | 44.937 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 120 | ASP | -1 | -0.812 | -0.884 | 47.732 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 121 | GLN | 0 | 0.048 | 0.009 | 46.949 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 122 | GLN | 0 | 0.054 | 0.041 | 48.810 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 123 | THR | 0 | -0.013 | -0.014 | 50.475 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 124 | ILE | 0 | -0.005 | 0.005 | 51.687 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 125 | LEU | 0 | -0.010 | 0.006 | 50.995 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 126 | LEU | 0 | -0.034 | -0.018 | 53.924 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 127 | ASP | -1 | -0.853 | -0.900 | 56.378 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 128 | LYS | 1 | 0.765 | 0.874 | 57.300 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 129 | GLY | 0 | 0.014 | 0.020 | 57.182 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 130 | PRO | 0 | 0.059 | 0.004 | 53.137 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 131 | SER | 0 | -0.055 | -0.036 | 52.983 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 132 | ARG | 1 | 0.932 | 0.959 | 54.818 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 133 | CYS | 0 | -0.005 | 0.028 | 49.629 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 134 | SER | 0 | 0.026 | 0.013 | 47.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 135 | PRO | 0 | 0.028 | 0.013 | 47.581 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 136 | PHE | 0 | -0.019 | -0.030 | 43.862 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 137 | MET | 0 | 0.046 | 0.024 | 43.062 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 138 | ILE | 0 | 0.061 | 0.021 | 39.091 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 139 | PRO | 0 | -0.015 | -0.010 | 38.194 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 140 | MET | 0 | -0.027 | 0.005 | 38.384 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 141 | MET | 0 | -0.006 | 0.018 | 39.369 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 142 | ILE | 0 | -0.002 | 0.006 | 34.907 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 143 | ALA | 0 | 0.109 | 0.038 | 31.910 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 144 | ASN | 0 | 0.069 | 0.036 | 29.851 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 145 | MET | 0 | -0.057 | -0.012 | 30.827 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 146 | ALA | 0 | 0.057 | 0.032 | 30.638 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 147 | SER | 0 | 0.036 | -0.001 | 26.293 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 148 | GLY | 0 | 0.017 | 0.018 | 28.578 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 149 | LEU | 0 | 0.011 | -0.015 | 30.554 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 150 | THR | 0 | 0.022 | 0.007 | 28.111 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 151 | ALA | 0 | 0.003 | 0.007 | 27.181 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 152 | ILE | 0 | -0.058 | -0.022 | 28.730 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 153 | ASN | 0 | -0.048 | -0.003 | 32.128 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 154 | LEU | 0 | 0.009 | 0.008 | 27.539 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 155 | GLY | 0 | 0.044 | 0.036 | 29.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 156 | ALA | 0 | -0.016 | 0.003 | 24.389 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 157 | LYS | 1 | 0.873 | 0.912 | 24.587 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 158 | GLY | 0 | 0.070 | 0.054 | 20.803 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 159 | PRO | 0 | -0.020 | -0.021 | 17.514 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 160 | ASN | 0 | -0.003 | -0.003 | 20.814 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 161 | ASN | 0 | 0.030 | 0.025 | 20.918 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 162 | CYS | 0 | -0.062 | -0.025 | 23.941 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 163 | THR | 0 | 0.000 | 0.017 | 22.381 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 164 | VAL | 0 | 0.009 | -0.002 | 25.650 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 165 | THR | 0 | -0.011 | -0.021 | 25.790 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 166 | ALA | 0 | 0.041 | 0.019 | 28.856 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 167 | CYS | 0 | -0.071 | -0.010 | 30.752 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 168 | ALA | 0 | 0.038 | 0.040 | 25.875 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 169 | ALA | 0 | -0.033 | 0.011 | 25.734 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 170 | GLY | 0 | 0.059 | 0.022 | 25.484 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 171 | SER | 0 | 0.008 | -0.026 | 23.169 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 172 | ASN | 0 | 0.021 | 0.005 | 21.198 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 173 | ALA | 0 | -0.030 | 0.013 | 20.550 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 174 | ILE | 0 | 0.048 | 0.012 | 19.141 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 175 | GLY | 0 | 0.040 | 0.009 | 17.190 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 176 | ASP | -1 | -0.777 | -0.873 | 15.805 | -0.357 | -0.357 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 177 | ALA | 0 | 0.023 | 0.010 | 15.875 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 178 | PHE | 0 | 0.027 | -0.003 | 11.449 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 179 | ARG | 1 | 0.788 | 0.887 | 11.172 | 0.480 | 0.480 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 180 | LEU | 0 | -0.018 | -0.005 | 11.030 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 181 | VAL | 0 | 0.006 | 0.024 | 11.618 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 182 | GLN | 0 | -0.016 | -0.001 | 7.716 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 183 | ASN | 0 | -0.035 | -0.012 | 6.896 | -1.035 | -1.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 184 | GLY | 0 | 0.016 | 0.013 | 8.421 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 185 | TYR | 0 | -0.031 | 0.009 | 10.272 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 186 | ALA | 0 | 0.044 | 0.022 | 13.383 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 187 | LYS | 1 | 0.866 | 0.937 | 11.783 | 0.220 | 0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 188 | ALA | 0 | 0.023 | 0.011 | 15.274 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 189 | MET | 0 | -0.078 | -0.007 | 17.024 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 190 | ILE | 0 | 0.037 | 0.041 | 19.492 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 191 | CYS | 0 | -0.047 | -0.026 | 20.612 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 192 | GLY | 0 | 0.070 | 0.032 | 23.007 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 193 | GLY | 0 | 0.048 | 0.021 | 25.221 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 194 | THR | 0 | -0.111 | -0.054 | 28.382 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 195 | GLU | -1 | -0.670 | -0.814 | 32.056 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 196 | ALA | 0 | -0.007 | -0.007 | 35.281 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 197 | ALA | 0 | 0.013 | 0.008 | 38.818 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 198 | ILE | 0 | 0.043 | 0.025 | 40.576 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 199 | THR | 0 | -0.094 | -0.088 | 43.464 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 200 | PRO | 0 | 0.052 | 0.021 | 46.029 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 201 | LEU | 0 | 0.021 | 0.016 | 45.428 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 202 | SER | 0 | -0.016 | -0.005 | 41.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 203 | TYR | 0 | -0.032 | -0.047 | 44.006 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 204 | ALA | 0 | 0.030 | 0.029 | 46.367 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 205 | GLY | 0 | -0.004 | -0.004 | 45.062 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 206 | PHE | 0 | -0.006 | -0.012 | 38.437 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 207 | ALA | 0 | 0.022 | 0.022 | 44.191 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 208 | SER | 0 | -0.012 | 0.003 | 47.628 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 209 | ALA | 0 | -0.032 | -0.009 | 43.851 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 210 | ARG | 1 | 0.870 | 0.936 | 45.433 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 211 | ALA | 0 | 0.009 | 0.013 | 41.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 212 | LEU | 0 | -0.036 | -0.016 | 42.644 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 213 | SER | 0 | -0.047 | -0.002 | 44.765 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 214 | PHE | 0 | -0.004 | -0.031 | 46.606 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 215 | ARG | 1 | 0.879 | 0.958 | 48.833 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 216 | ASN | 0 | -0.031 | -0.056 | 51.289 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 217 | ASP | -1 | -0.888 | -0.935 | 53.137 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 218 | ASP | -1 | -0.807 | -0.883 | 52.196 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 219 | PRO | 0 | 0.012 | 0.018 | 49.466 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 220 | LEU | 0 | -0.015 | -0.010 | 47.743 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 221 | HIS | 1 | 0.849 | 0.929 | 47.023 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 222 | ALA | 0 | 0.020 | 0.029 | 46.525 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 223 | SER | 0 | -0.005 | -0.012 | 40.336 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 224 | ARG | 1 | 0.873 | 0.944 | 42.555 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 225 | PRO | 0 | 0.032 | 0.003 | 37.406 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 226 | PHE | 0 | -0.027 | -0.046 | 34.018 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 227 | ASP | -1 | -0.710 | -0.831 | 40.067 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 228 | LYS | 1 | 0.921 | 0.975 | 43.804 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 229 | ASP | -1 | -0.895 | -0.929 | 46.220 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 230 | ARG | 1 | 0.723 | 0.863 | 40.704 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 231 | ASP | -1 | -0.756 | -0.867 | 45.254 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 232 | GLY | 0 | 0.046 | 0.029 | 42.903 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 233 | PHE | 0 | -0.046 | -0.003 | 39.176 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 234 | VAL | 0 | 0.049 | 0.026 | 40.863 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 235 | MET | 0 | -0.053 | 0.008 | 39.630 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 236 | GLY | 0 | 0.062 | 0.044 | 39.030 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 237 | GLU | -1 | -0.784 | -0.854 | 37.755 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 238 | GLY | 0 | 0.045 | -0.001 | 36.031 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 239 | SER | 0 | -0.071 | -0.052 | 30.721 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 240 | GLY | 0 | 0.032 | 0.018 | 29.337 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 241 | ILE | 0 | -0.068 | -0.031 | 25.613 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 242 | LEU | 0 | 0.044 | 0.000 | 20.976 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 243 | ILE | 0 | -0.031 | 0.006 | 20.662 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 244 | LEU | 0 | -0.040 | -0.014 | 16.254 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 245 | GLU | -1 | -0.724 | -0.833 | 16.309 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 246 | GLU | -1 | -0.717 | -0.858 | 10.512 | -0.352 | -0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 247 | LEU | 0 | -0.042 | -0.020 | 11.551 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 248 | GLU | -1 | -0.873 | -0.942 | 10.948 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 249 | SER | 0 | -0.054 | -0.046 | 13.721 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 250 | ALA | 0 | 0.030 | 0.023 | 15.959 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 251 | LEU | 0 | 0.018 | 0.010 | 15.233 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 252 | ALA | 0 | -0.011 | 0.009 | 17.854 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 253 | ARG | 1 | 0.726 | 0.845 | 19.633 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 254 | GLY | 0 | -0.020 | -0.010 | 21.671 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 255 | ALA | 0 | -0.090 | -0.034 | 20.554 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 256 | LYS | 1 | 0.841 | 0.923 | 22.497 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 257 | ILE | 0 | -0.027 | -0.028 | 18.021 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 258 | TYR | 0 | -0.034 | -0.043 | 21.704 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 259 | GLY | 0 | 0.054 | 0.030 | 20.127 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 260 | GLU | -1 | -0.773 | -0.843 | 11.938 | -0.297 | -0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 261 | MET | 0 | -0.021 | 0.011 | 15.026 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 262 | VAL | 0 | -0.038 | -0.027 | 12.363 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 263 | GLY | 0 | 0.029 | 0.025 | 12.203 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 264 | TYR | 0 | -0.070 | -0.033 | 14.377 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 265 | ALA | 0 | -0.011 | 0.002 | 15.402 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 266 | MET | 0 | 0.000 | 0.016 | 18.003 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 267 | THR | 0 | -0.069 | -0.032 | 20.720 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 268 | CYS | 0 | 0.002 | 0.009 | 23.391 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 269 | ASP | -1 | -0.754 | -0.842 | 26.934 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 270 | ALA | 0 | 0.003 | 0.010 | 30.043 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 271 | TYR | 0 | -0.039 | 0.001 | 31.687 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 272 | HIS | 0 | 0.089 | 0.068 | 34.807 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 273 | ILE | 0 | 0.050 | 0.028 | 34.461 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 274 | THR | 0 | -0.029 | -0.026 | 35.597 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 275 | ALA | 0 | 0.024 | 0.016 | 37.047 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 276 | PRO | 0 | 0.042 | 0.030 | 34.218 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 277 | VAL | 0 | -0.045 | -0.015 | 31.966 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 278 | PRO | 0 | 0.060 | 0.021 | 34.739 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 279 | ASP | -1 | -0.819 | -0.902 | 33.140 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 280 | GLY | 0 | 0.074 | 0.038 | 31.970 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 281 | ARG | 1 | 0.913 | 0.958 | 26.742 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 282 | GLY | 0 | 0.012 | -0.006 | 26.655 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 283 | ALA | 0 | 0.054 | 0.031 | 25.491 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 284 | THR | 0 | 0.001 | 0.003 | 25.553 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 285 | ARG | 1 | 0.885 | 0.941 | 22.159 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 286 | ALA | 0 | 0.029 | 0.031 | 21.304 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 287 | ILE | 0 | 0.078 | 0.041 | 20.548 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 288 | ALA | 0 | -0.012 | -0.006 | 20.492 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 289 | TRP | 0 | -0.036 | -0.039 | 14.967 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 290 | ALA | 0 | 0.061 | 0.045 | 15.935 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 291 | LEU | 0 | 0.029 | 0.023 | 15.732 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 292 | LYS | 1 | 0.937 | 0.970 | 14.775 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 293 | ASP | -1 | -0.802 | -0.878 | 11.214 | -0.543 | -0.543 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 294 | SER | 0 | 0.024 | 0.015 | 10.816 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 295 | GLY | 0 | -0.040 | -0.001 | 11.971 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 296 | LEU | 0 | -0.018 | -0.005 | 12.800 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 297 | LYS | 1 | 0.864 | 0.927 | 16.418 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 298 | PRO | 0 | 0.058 | 0.016 | 19.701 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 299 | GLU | -1 | -0.864 | -0.938 | 22.620 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 300 | MET | 0 | -0.042 | -0.011 | 19.051 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 301 | VAL | 0 | 0.002 | 0.022 | 22.134 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 302 | SER | 0 | 0.001 | -0.005 | 23.714 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 303 | TYR | 0 | 0.018 | -0.029 | 25.651 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 304 | ILE | 0 | -0.007 | 0.006 | 25.550 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 305 | ASN | 0 | 0.049 | 0.038 | 26.827 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 306 | ALA | 0 | 0.021 | -0.009 | 28.016 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 307 | HIS | 0 | -0.058 | -0.024 | 29.797 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 308 | GLY | 0 | 0.029 | -0.005 | 31.083 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 309 | THR | 0 | -0.018 | -0.014 | 34.339 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 310 | SER | 0 | 0.053 | 0.024 | 36.676 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 311 | THR | 0 | -0.016 | 0.010 | 38.093 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 312 | PRO | 0 | 0.079 | 0.029 | 39.978 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 313 | ALA | 0 | 0.037 | 0.016 | 38.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 314 | ASN | 0 | -0.038 | -0.006 | 33.585 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 315 | ASP | -1 | -0.685 | -0.832 | 35.160 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 316 | VAL | 0 | 0.060 | 0.033 | 36.110 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 317 | THR | 0 | -0.023 | -0.025 | 32.991 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 318 | GLU | -1 | -0.733 | -0.857 | 30.081 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 319 | THR | 0 | 0.022 | 0.017 | 31.375 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 320 | ARG | 1 | 0.921 | 0.963 | 32.861 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 321 | ALA | 0 | -0.023 | -0.019 | 28.528 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 322 | ILE | 0 | 0.027 | 0.010 | 28.073 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 323 | LYS | 1 | 0.904 | 0.942 | 28.725 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 324 | GLN | 0 | -0.052 | -0.007 | 29.662 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 325 | ALA | 0 | -0.045 | -0.017 | 24.476 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 326 | LEU | 0 | -0.016 | -0.005 | 24.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 327 | GLY | 0 | 0.013 | 0.026 | 26.886 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 328 | ASN | 0 | 0.010 | -0.028 | 29.884 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 329 | HIS | 0 | 0.027 | 0.033 | 26.349 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 330 | ALA | 0 | -0.005 | 0.009 | 29.890 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 331 | TYR | 0 | -0.079 | -0.059 | 30.829 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 332 | ASN | 0 | -0.084 | -0.043 | 31.235 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 333 | ILE | 0 | -0.013 | 0.014 | 27.589 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 334 | ALA | 0 | 0.027 | 0.026 | 30.362 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 335 | VAL | 0 | -0.021 | -0.021 | 30.271 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 336 | SER | 0 | -0.016 | 0.009 | 31.672 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 337 | SER | 0 | -0.004 | -0.012 | 32.196 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 338 | THR | 0 | 0.075 | 0.005 | 32.794 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 339 | LYS | 1 | 0.760 | 0.893 | 31.470 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 340 | SER | 0 | -0.035 | 0.004 | 36.507 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 341 | MET | 0 | -0.039 | 0.022 | 36.787 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 342 | THR | 0 | -0.004 | -0.014 | 35.754 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 343 | GLY | 0 | 0.060 | 0.040 | 38.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 344 | HIS | 0 | -0.008 | -0.037 | 32.968 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 345 | LEU | 0 | -0.001 | 0.007 | 33.928 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 346 | LEU | 0 | -0.021 | -0.010 | 34.051 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 347 | GLY | 0 | 0.037 | 0.021 | 30.676 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 348 | GLY | 0 | -0.007 | -0.015 | 29.651 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 349 | SER | 0 | -0.080 | -0.040 | 30.635 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 350 | GLY | 0 | 0.047 | 0.020 | 26.804 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 351 | GLY | 0 | 0.004 | 0.005 | 26.204 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 352 | ILE | 0 | 0.034 | 0.004 | 27.398 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 353 | GLU | -1 | -0.730 | -0.815 | 28.397 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 354 | ALA | 0 | 0.006 | 0.030 | 23.441 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 355 | VAL | 0 | -0.025 | -0.012 | 25.090 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 356 | ALA | 0 | -0.003 | -0.003 | 27.177 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 357 | THR | 0 | -0.001 | -0.023 | 23.552 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 358 | VAL | 0 | -0.017 | -0.007 | 21.863 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 359 | MET | 0 | -0.003 | 0.021 | 24.386 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 360 | ALA | 0 | 0.012 | 0.015 | 27.324 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 361 | ILE | 0 | -0.068 | -0.016 | 21.210 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 362 | ALA | 0 | 0.006 | 0.011 | 25.226 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 363 | GLU | -1 | -0.769 | -0.833 | 26.498 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 364 | ASP | -1 | -0.734 | -0.812 | 28.205 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 365 | LYS | 1 | 0.935 | 0.970 | 30.167 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 366 | VAL | 0 | -0.001 | 0.013 | 30.120 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 367 | PRO | 0 | 0.006 | -0.003 | 31.634 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 368 | PRO | 0 | 0.050 | 0.022 | 34.812 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 369 | THR | 0 | -0.068 | -0.018 | 36.739 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 370 | ILE | 0 | -0.039 | -0.032 | 38.434 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 371 | ASN | 0 | -0.035 | -0.051 | 41.912 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 372 | LEU | 0 | -0.046 | 0.012 | 40.078 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 373 | GLU | -1 | -0.924 | -0.955 | 43.767 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 374 | ASN | 0 | -0.019 | 0.014 | 46.889 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 375 | PRO | 0 | 0.063 | 0.048 | 42.046 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 376 | ASP | -1 | -0.747 | -0.863 | 42.647 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 377 | PRO | 0 | -0.029 | -0.019 | 42.944 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 378 | GLU | -1 | -0.964 | -0.977 | 39.919 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 379 | CYS | 0 | -0.117 | -0.035 | 38.163 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 380 | ASP | -1 | -0.714 | -0.829 | 38.276 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 381 | LEU | 0 | 0.011 | 0.020 | 32.605 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 382 | ASP | -1 | -0.723 | -0.823 | 35.392 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 383 | TYR | 0 | -0.044 | -0.053 | 34.892 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 384 | VAL | 0 | 0.002 | 0.013 | 34.339 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 385 | PRO | 0 | 0.023 | 0.027 | 37.546 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 386 | GLY | 0 | 0.044 | 0.027 | 40.911 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 387 | GLN | 0 | -0.002 | -0.007 | 41.457 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 388 | SER | 0 | -0.019 | 0.001 | 36.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 389 | ARG | 1 | 0.747 | 0.838 | 36.035 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 390 | ALA | 0 | -0.011 | 0.002 | 34.833 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 391 | LEU | 0 | -0.027 | -0.030 | 30.422 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 392 | ILE | 0 | 0.008 | 0.030 | 27.134 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 393 | VAL | 0 | 0.003 | 0.005 | 25.006 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 394 | ASP | -1 | -0.797 | -0.889 | 22.389 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 395 | VAL | 0 | 0.005 | -0.002 | 19.309 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 396 | ALA | 0 | -0.002 | 0.000 | 21.339 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 397 | LEU | 0 | -0.033 | -0.023 | 20.359 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 398 | SER | 0 | -0.006 | -0.004 | 22.687 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 399 | ASN | 0 | 0.004 | -0.004 | 23.660 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 400 | SER | 0 | 0.034 | 0.018 | 25.852 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 401 | PHE | 0 | -0.013 | 0.004 | 25.815 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 402 | GLY | 0 | 0.011 | -0.008 | 29.082 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 403 | PHE | 0 | 0.004 | -0.025 | 31.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 404 | GLY | 0 | 0.050 | 0.019 | 32.154 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 405 | GLY | 0 | -0.015 | 0.008 | 30.839 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 406 | HIS | 0 | 0.014 | 0.031 | 26.327 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 407 | ASN | 0 | 0.015 | 0.013 | 25.340 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 408 | VAL | 0 | 0.017 | -0.011 | 21.153 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 409 | THR | 0 | -0.004 | 0.009 | 20.733 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 410 | LEU | 0 | -0.067 | -0.027 | 18.748 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 411 | ALA | 0 | 0.013 | 0.005 | 16.614 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 412 | PHE | 0 | 0.011 | -0.003 | 16.955 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 413 | LYS | 1 | 0.874 | 0.906 | 13.768 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 414 | LYS | 1 | 0.880 | 0.949 | 18.850 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 415 | TYR | 0 | -0.022 | 0.013 | 15.156 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 416 | GLN | -1 | -1.129 | -1.192 | 16.073 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 2001 | HOH | 0 | -0.022 | -0.025 | 8.377 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 2002 | HOH | 0 | 0.002 | 0.011 | 9.891 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 2003 | HOH | 0 | 0.053 | 0.034 | 9.939 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 2005 | HOH | 0 | 0.027 | 0.026 | 30.692 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 2009 | HOH | 0 | -0.008 | -0.015 | 41.114 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 2015 | HOH | 0 | -0.012 | -0.012 | 38.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 2017 | HOH | 0 | 0.020 | 0.023 | 39.316 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 2019 | HOH | 0 | 0.022 | 0.014 | 34.689 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 2020 | HOH | 0 | -0.051 | -0.045 | 36.363 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 2022 | HOH | 0 | -0.015 | -0.018 | 41.331 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 2023 | HOH | 0 | 0.008 | 0.007 | 34.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 2024 | HOH | 0 | 0.048 | 0.027 | 36.934 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 2025 | HOH | 0 | -0.020 | -0.028 | 38.653 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 2026 | HOH | 0 | -0.022 | -0.029 | 40.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 2030 | HOH | 0 | -0.027 | -0.029 | 41.305 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 2031 | HOH | 0 | -0.055 | -0.037 | 44.750 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 2032 | HOH | 0 | 0.000 | -0.005 | 44.459 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 2035 | HOH | 0 | 0.002 | -0.004 | 44.417 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 2042 | HOH | 0 | -0.038 | -0.019 | 46.656 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 2043 | HOH | 0 | 0.026 | 0.019 | 46.452 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 2045 | HOH | 0 | -0.006 | -0.014 | 45.644 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 2047 | HOH | 0 | -0.028 | -0.011 | 47.844 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 2048 | HOH | 0 | -0.004 | -0.005 | 53.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 2049 | HOH | 0 | -0.023 | -0.024 | 53.479 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 2052 | HOH | 0 | -0.049 | -0.030 | 58.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 2056 | HOH | 0 | -0.020 | -0.020 | 53.012 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 2057 | HOH | 0 | -0.022 | -0.017 | 54.401 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 2058 | HOH | 0 | 0.003 | -0.006 | 51.360 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 2059 | HOH | 0 | 0.006 | -0.007 | 48.646 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 2060 | HOH | 0 | -0.039 | -0.025 | 53.371 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 2062 | HOH | 0 | -0.004 | -0.007 | 56.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 2063 | HOH | 0 | 0.056 | 0.049 | 54.922 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 2065 | HOH | 0 | 0.002 | -0.004 | 44.751 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 2066 | HOH | 0 | -0.015 | -0.020 | 46.985 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 2067 | HOH | 0 | 0.030 | 0.017 | 48.287 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 2069 | HOH | 0 | 0.017 | 0.001 | 43.415 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 2070 | HOH | 0 | -0.048 | -0.042 | 44.230 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 2071 | HOH | 0 | -0.032 | -0.031 | 42.644 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 2074 | HOH | 0 | -0.026 | -0.027 | 46.087 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 2076 | HOH | 0 | -0.017 | -0.019 | 45.551 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 2077 | HOH | 0 | -0.008 | -0.028 | 36.245 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 2078 | HOH | 0 | -0.024 | -0.020 | 39.688 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 2079 | HOH | 0 | 0.054 | 0.030 | 38.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 2081 | HOH | 0 | -0.038 | -0.039 | 36.423 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 2083 | HOH | 0 | 0.030 | 0.018 | 51.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 2084 | HOH | 0 | -0.062 | -0.043 | 39.077 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 2086 | HOH | 0 | 0.024 | 0.012 | 41.067 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 2088 | HOH | 0 | -0.014 | -0.012 | 43.545 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 2090 | HOH | 0 | -0.034 | -0.025 | 43.644 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 2091 | HOH | 0 | -0.003 | -0.016 | 37.399 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 2092 | HOH | 0 | -0.020 | -0.013 | 42.920 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 2093 | HOH | 0 | -0.027 | -0.020 | 42.206 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 2094 | HOH | 0 | -0.034 | -0.031 | 34.986 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 2095 | HOH | 0 | -0.003 | -0.007 | 37.530 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 2096 | HOH | 0 | -0.024 | -0.018 | 36.694 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 2098 | HOH | 0 | 0.006 | 0.006 | 36.948 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 2099 | HOH | 0 | -0.007 | -0.022 | 33.054 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 2103 | HOH | 0 | -0.037 | -0.026 | 31.232 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 2105 | HOH | 0 | 0.033 | 0.023 | 34.590 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 2106 | HOH | 0 | -0.008 | -0.012 | 31.537 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 2108 | HOH | 0 | -0.018 | -0.016 | 26.509 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 2109 | HOH | 0 | -0.052 | -0.041 | 31.173 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 2111 | HOH | 0 | -0.013 | -0.012 | 23.779 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 2114 | HOH | 0 | 0.005 | 0.018 | 29.764 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 2115 | HOH | 0 | 0.029 | 0.018 | 24.967 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 2116 | HOH | 0 | -0.051 | -0.039 | 25.175 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 2118 | HOH | 0 | 0.028 | 0.025 | 28.313 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 2119 | HOH | 0 | -0.051 | -0.031 | 29.909 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 2120 | HOH | 0 | 0.002 | -0.010 | 24.253 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 2121 | HOH | 0 | -0.007 | 0.010 | 25.919 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 2122 | HOH | 0 | 0.046 | 0.022 | 31.447 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 2123 | HOH | 0 | -0.021 | -0.010 | 23.201 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 2124 | HOH | 0 | -0.064 | -0.037 | 21.100 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 2125 | HOH | 0 | -0.039 | -0.026 | 24.312 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 2129 | HOH | 0 | 0.004 | -0.004 | 28.785 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 2130 | HOH | 0 | -0.016 | -0.013 | 34.871 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 2131 | HOH | 0 | -0.060 | -0.042 | 36.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 2139 | HOH | 0 | -0.022 | -0.029 | 48.944 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 2140 | HOH | 0 | -0.044 | -0.033 | 48.415 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 2141 | HOH | 0 | -0.033 | -0.023 | 52.337 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 2142 | HOH | 0 | -0.045 | -0.036 | 46.007 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 2147 | HOH | 0 | -0.014 | -0.021 | 56.555 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 2148 | HOH | 0 | -0.025 | -0.018 | 52.789 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 2149 | HOH | 0 | -0.035 | -0.028 | 57.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 2150 | HOH | 0 | -0.012 | -0.012 | 56.500 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 2151 | HOH | 0 | -0.032 | -0.025 | 51.215 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 2152 | HOH | 0 | 0.052 | 0.049 | 58.086 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 2154 | HOH | 0 | -0.056 | -0.037 | 52.358 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 2156 | HOH | 0 | -0.026 | -0.015 | 43.650 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 2158 | HOH | 0 | -0.029 | -0.026 | 32.464 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 2159 | HOH | 0 | -0.012 | -0.008 | 34.563 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 2160 | HOH | 0 | -0.043 | -0.027 | 34.590 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 2161 | HOH | 0 | -0.022 | -0.019 | 33.232 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 2163 | HOH | 0 | -0.040 | -0.035 | 29.184 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 2164 | HOH | 0 | -0.038 | -0.030 | 28.265 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 2165 | HOH | 0 | 0.001 | -0.004 | 28.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 2168 | HOH | 0 | -0.024 | -0.022 | 24.031 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 2169 | HOH | 0 | -0.044 | -0.031 | 24.356 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 2171 | HOH | 0 | 0.001 | -0.006 | 28.876 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 2172 | HOH | 0 | -0.037 | -0.033 | 20.373 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 2173 | HOH | 0 | -0.004 | -0.004 | 16.550 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 2174 | HOH | 0 | -0.033 | -0.024 | 15.779 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 2176 | HOH | 0 | -0.003 | -0.003 | 14.821 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 2177 | HOH | 0 | -0.030 | -0.024 | 5.718 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 2178 | HOH | 0 | -0.011 | 0.008 | 9.215 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 2179 | HOH | 0 | -0.046 | -0.025 | 10.063 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 2181 | HOH | 0 | -0.017 | -0.012 | 7.828 | -0.138 | -0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 2184 | HOH | 0 | -0.021 | -0.025 | 10.729 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 2185 | HOH | 0 | -0.032 | -0.027 | 16.711 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 2186 | HOH | 0 | -0.006 | -0.019 | 10.674 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 2187 | HOH | 0 | 0.025 | 0.013 | 10.415 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 2188 | HOH | 0 | -0.026 | -0.036 | 36.669 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 2190 | HOH | 0 | -0.027 | -0.027 | 40.914 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 2191 | HOH | 0 | -0.034 | -0.025 | 43.183 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 2193 | HOH | 0 | -0.043 | -0.030 | 50.429 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 2194 | HOH | 0 | -0.023 | -0.021 | 53.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 2196 | HOH | 0 | -0.018 | -0.012 | 52.972 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 2197 | HOH | 0 | 0.004 | 0.005 | 55.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 2198 | HOH | 0 | -0.019 | -0.009 | 54.072 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 2199 | HOH | 0 | 0.003 | -0.011 | 52.263 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 2200 | HOH | 0 | -0.008 | -0.010 | 44.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 2201 | HOH | 0 | -0.059 | -0.062 | 48.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 2202 | HOH | 0 | -0.030 | -0.024 | 49.413 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 2203 | HOH | 0 | -0.035 | -0.011 | 46.305 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 2204 | HOH | 0 | -0.008 | -0.013 | 46.453 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 2206 | HOH | 0 | -0.057 | -0.032 | 49.429 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 2207 | HOH | 0 | -0.027 | -0.027 | 47.177 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 2208 | HOH | 0 | -0.006 | -0.018 | 43.849 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 2209 | HOH | 0 | 0.013 | -0.002 | 44.607 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 2210 | HOH | 0 | 0.004 | -0.010 | 38.595 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 2211 | HOH | 0 | -0.003 | -0.004 | 41.730 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 2212 | HOH | 0 | -0.008 | -0.003 | 13.104 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 2213 | HOH | 0 | -0.011 | -0.011 | 8.806 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 2215 | HOH | 0 | -0.038 | -0.019 | 9.713 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 2216 | HOH | 0 | 0.005 | 0.007 | 18.179 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 2217 | HOH | 0 | -0.038 | -0.027 | 19.201 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 2218 | HOH | 0 | -0.045 | -0.027 | 21.857 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 2219 | HOH | 0 | -0.012 | -0.010 | 21.106 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 2220 | HOH | 0 | -0.022 | -0.014 | 25.178 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 2221 | HOH | 0 | 0.006 | 0.009 | 25.563 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 2223 | HOH | 0 | 0.030 | 0.016 | 30.936 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 2225 | HOH | 0 | 0.010 | -0.012 | 22.108 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 2226 | HOH | 0 | 0.004 | -0.007 | 29.201 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 2227 | HOH | 0 | 0.005 | 0.003 | 11.075 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 2228 | HOH | 0 | -0.018 | -0.022 | 15.115 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 2229 | HOH | 0 | -0.019 | -0.016 | 9.938 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 2230 | HOH | 0 | -0.024 | -0.018 | 9.428 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 2231 | HOH | 0 | -0.023 | -0.032 | 14.936 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 2232 | HOH | 0 | -0.030 | -0.033 | 19.128 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 2233 | HOH | 0 | -0.004 | -0.003 | 16.481 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 2234 | HOH | 0 | -0.014 | -0.015 | 23.384 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 2235 | HOH | 0 | 0.010 | -0.008 | 29.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 2237 | HOH | 0 | 0.005 | 0.000 | 30.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 566 | A | 2238 | HOH | 0 | -0.040 | -0.030 | 34.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 567 | A | 2239 | HOH | 0 | -0.036 | -0.023 | 33.520 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 568 | A | 2240 | HOH | 0 | 0.032 | 0.033 | 40.612 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 569 | A | 2241 | HOH | 0 | -0.017 | -0.021 | 39.960 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 570 | A | 2242 | HOH | 0 | 0.003 | 0.006 | 38.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 571 | A | 2243 | HOH | 0 | -0.043 | -0.030 | 37.073 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 572 | A | 2244 | HOH | 0 | 0.030 | 0.020 | 31.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 573 | A | 2245 | HOH | 0 | -0.015 | -0.011 | 33.547 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 574 | A | 2246 | HOH | 0 | -0.003 | -0.005 | 38.973 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 575 | A | 2247 | HOH | 0 | -0.020 | -0.013 | 40.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 576 | A | 2248 | HOH | 0 | 0.031 | 0.019 | 41.804 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 577 | A | 2249 | HOH | 0 | -0.015 | -0.031 | 33.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 578 | A | 2250 | HOH | 0 | -0.053 | -0.036 | 37.290 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 579 | A | 2251 | HOH | 0 | -0.061 | -0.043 | 32.672 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 580 | A | 2255 | HOH | 0 | -0.002 | -0.010 | 28.120 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 581 | A | 2256 | HOH | 0 | -0.037 | -0.022 | 19.470 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 582 | A | 2257 | HOH | 0 | 0.033 | 0.032 | 13.490 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 583 | A | 2258 | HOH | 0 | -0.035 | -0.026 | 12.229 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 584 | A | 2259 | HOH | 0 | -0.030 | -0.029 | 9.449 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 585 | A | 2260 | HOH | 0 | -0.050 | -0.027 | 8.707 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 586 | A | 2261 | HOH | 0 | 0.023 | 0.007 | 12.399 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 587 | A | 2262 | HOH | 0 | -0.045 | -0.043 | 17.771 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 588 | A | 2263 | HOH | 0 | 0.044 | 0.027 | 21.929 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 589 | A | 2264 | HOH | 0 | -0.004 | 0.007 | 25.857 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 590 | A | 2265 | HOH | 0 | -0.028 | -0.028 | 22.824 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 591 | A | 2266 | HOH | 0 | -0.027 | -0.009 | 29.278 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 592 | A | 2267 | HOH | 0 | 0.026 | 0.029 | 26.332 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 593 | A | 2268 | HOH | 0 | -0.008 | -0.011 | 31.417 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 594 | A | 2269 | HOH | 0 | 0.057 | 0.044 | 33.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 595 | A | 2270 | HOH | 0 | -0.023 | -0.006 | 35.501 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 596 | A | 2271 | HOH | 0 | -0.020 | -0.016 | 39.451 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 597 | A | 2272 | HOH | 0 | 0.010 | 0.004 | 37.472 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 598 | A | 2276 | HOH | 0 | -0.034 | -0.029 | 34.335 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 599 | A | 2277 | HOH | 0 | -0.033 | -0.016 | 29.000 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 600 | A | 2279 | HOH | 0 | -0.025 | -0.027 | 23.132 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 601 | A | 2282 | HOH | 0 | 0.031 | 0.025 | 30.214 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 602 | A | 2283 | HOH | 0 | -0.014 | -0.015 | 33.395 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 603 | A | 2285 | HOH | 0 | -0.025 | -0.020 | 29.605 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 604 | A | 2287 | HOH | 0 | -0.058 | -0.044 | 31.296 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 605 | A | 2289 | HOH | 0 | -0.018 | 0.004 | 33.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 606 | A | 2290 | HOH | 0 | -0.007 | -0.009 | 43.082 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 607 | A | 2291 | HOH | 0 | -0.003 | -0.005 | 33.268 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 608 | A | 2292 | HOH | 0 | -0.041 | -0.035 | 28.246 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 609 | A | 2293 | HOH | 0 | -0.046 | -0.031 | 27.237 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 610 | A | 2294 | HOH | 0 | -0.043 | -0.033 | 29.482 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 611 | A | 2295 | HOH | 0 | -0.046 | -0.037 | 32.990 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 612 | A | 2296 | HOH | 0 | -0.013 | -0.017 | 33.330 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 613 | A | 2297 | HOH | 0 | -0.033 | -0.050 | 28.744 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 614 | A | 2298 | HOH | 0 | -0.039 | -0.019 | 32.501 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 615 | A | 2299 | HOH | 0 | -0.037 | -0.022 | 30.871 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 616 | A | 2300 | HOH | 0 | -0.037 | -0.033 | 27.964 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 617 | A | 2301 | HOH | 0 | -0.037 | -0.030 | 33.485 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 618 | A | 2302 | HOH | 0 | -0.057 | -0.040 | 29.488 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 619 | A | 2304 | HOH | 0 | 0.009 | 0.005 | 41.414 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 620 | A | 2305 | HOH | 0 | -0.049 | -0.033 | 47.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 621 | A | 2306 | HOH | 0 | 0.019 | 0.006 | 45.006 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 622 | A | 2307 | HOH | 0 | -0.045 | -0.059 | 48.174 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 623 | A | 2308 | HOH | 0 | -0.023 | -0.018 | 51.074 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 624 | A | 2309 | HOH | 0 | -0.016 | -0.011 | 47.386 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 625 | A | 2310 | HOH | 0 | -0.020 | -0.010 | 42.841 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 626 | A | 2311 | HOH | 0 | -0.078 | -0.059 | 46.685 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 627 | A | 2312 | HOH | 0 | -0.063 | -0.040 | 44.591 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 628 | A | 2313 | HOH | 0 | 0.043 | 0.008 | 43.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 629 | A | 2314 | HOH | 0 | -0.032 | -0.028 | 38.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 630 | A | 2315 | HOH | 0 | -0.035 | -0.024 | 39.910 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 631 | A | 2316 | HOH | 0 | -0.048 | -0.031 | 39.758 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 632 | A | 2317 | HOH | 0 | -0.036 | -0.027 | 36.486 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 633 | A | 2318 | HOH | 0 | -0.026 | -0.022 | 39.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 634 | A | 2319 | HOH | 0 | 0.045 | 0.039 | 40.335 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 635 | A | 2320 | HOH | 0 | -0.014 | -0.006 | 43.871 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 636 | A | 2321 | HOH | 0 | 0.004 | -0.002 | 42.924 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 637 | A | 2322 | HOH | 0 | -0.024 | -0.011 | 44.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 638 | A | 2323 | HOH | 0 | -0.042 | -0.036 | 39.716 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 639 | A | 2324 | HOH | 0 | 0.019 | 0.016 | 43.626 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 640 | A | 2326 | HOH | 0 | 0.000 | -0.005 | 35.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 641 | A | 2327 | HOH | 0 | 0.029 | 0.018 | 39.008 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 642 | A | 2328 | HOH | 0 | -0.005 | 0.001 | 35.735 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 643 | A | 2330 | HOH | 0 | -0.007 | -0.007 | 28.667 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 644 | A | 2332 | HOH | 0 | -0.039 | -0.031 | 25.076 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 645 | A | 2333 | HOH | 0 | -0.055 | -0.041 | 26.295 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 646 | A | 2334 | HOH | 0 | -0.015 | 0.005 | 24.876 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 647 | A | 2335 | HOH | 0 | 0.018 | 0.003 | 29.269 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 648 | A | 2336 | HOH | 0 | -0.027 | -0.023 | 30.615 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 649 | A | 2337 | HOH | 0 | -0.053 | -0.056 | 31.572 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 650 | A | 2338 | HOH | 0 | -0.031 | -0.020 | 29.679 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 651 | A | 2339 | HOH | 0 | -0.042 | -0.034 | 30.127 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 652 | A | 2340 | HOH | 0 | 0.013 | 0.013 | 11.922 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 653 | A | 2341 | HOH | 0 | 0.013 | 0.012 | 16.787 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 654 | A | 2342 | HOH | 0 | -0.047 | -0.022 | 18.630 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 655 | A | 2343 | HOH | 0 | -0.041 | -0.054 | 14.961 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 656 | A | 2344 | HOH | 0 | 0.406 | 0.366 | 20.988 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 657 | A | 2345 | HOH | 0 | -0.043 | -0.028 | 14.723 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 658 | A | 2346 | HOH | 0 | -0.024 | -0.025 | 16.575 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 659 | A | 2347 | HOH | 0 | -0.002 | 0.003 | 14.895 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 660 | A | 2348 | HOH | 0 | -0.043 | -0.031 | 18.152 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |