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: 4L67N
Calculation Name: 1LT4-A-Xray540
Preferred Name:
Target Type:
Ligand Name: beta-d-glucopyranose | beta-d-galactopyranose
Ligand 3-letter code: BGC | GAL
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1LT4
Chain ID: A
UniProt ID: P06717
Base Structure: X-ray
Registration Date: 2025-07-08
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
Modeling method
| Optimization | MOE:Amber10:EHT |
|---|---|
| Restraint | OptHSide |
| Protonation | MOE:Protonate 3D |
| Complement | MOE:Structure Preparation |
| Water | No |
| Procedure | Auto-FMO protocol ver. 2.20220422 |
| Remarks |
FMO calculation
| FMO method | FMO2-MP2/6-31G(d) |
|---|---|
| Fragmentation | Auto |
| Number of fragment | 420 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -2887761.718585 |
|---|---|
| FMO2-HF: Nuclear repulsion | 2795842.154553 |
| FMO2-HF: Total energy | -91919.564033 |
| FMO2-MP2: Total energy | -92189.26278 |
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:4:ARG)
Summations of interaction energy for
fragment #1(A:4:ARG)
| IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
|---|---|---|---|---|---|
| IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
| -0.408 | 2.521 | 4.31 | -3.077 | -4.161 | -0.013 |
Interaction energy analysis for fragmet #1(A:4:ARG)
| 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]. |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 4 | A | 5 | LEU | 0 | -0.043 | 0.128 | 3.683 | -0.164 | 0.367 | 0.011 | -0.195 | -0.347 | 0.000 |
| 5 | A | 6 | TYR | 0 | 0.053 | -0.124 | 3.791 | -1.315 | 0.428 | -0.016 | -0.953 | -0.774 | 0.006 |
| 6 | A | 6 | TYR | 0 | -0.077 | 0.106 | 3.676 | 0.018 | 0.114 | 0.015 | 0.194 | -0.304 | 0.000 |
| 7 | A | 7 | ARG | 0 | 0.134 | -0.091 | 6.725 | 0.266 | 0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 7 | ARG | 1 | 0.656 | 0.954 | 9.749 | 0.692 | 0.692 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 8 | ALA | 0 | 0.090 | -0.105 | 10.274 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 8 | ALA | 0 | -0.063 | 0.113 | 13.562 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 9 | ASP | 0 | 0.065 | -0.104 | 13.311 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 9 | ASP | -1 | -0.860 | -0.769 | 14.211 | -0.493 | -0.493 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 10 | SER | 0 | 0.070 | -0.057 | 15.767 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 10 | SER | 0 | 0.018 | 0.083 | 20.403 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 11 | ARG | 0 | 0.055 | -0.109 | 18.347 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 11 | ARG | 1 | 0.736 | 1.013 | 16.439 | 0.354 | 0.354 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 12 | PRO | 0 | 0.000 | -0.070 | 17.079 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 13 | PRO | 0 | 0.072 | -0.002 | 15.275 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 14 | ASP | 0 | 0.064 | 0.020 | 17.186 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 14 | ASP | -1 | -0.833 | -0.804 | 21.640 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 15 | GLU | 0 | 0.051 | -0.135 | 20.226 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 15 | GLU | -1 | -0.937 | -0.826 | 20.214 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 16 | ILE | 0 | 0.089 | -0.075 | 16.144 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 16 | ILE | 0 | -0.109 | 0.102 | 14.008 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 17 | LYS | 0 | 0.110 | -0.098 | 17.488 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 17 | LYS | 1 | 0.727 | 1.002 | 18.292 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 18 | ARG | 0 | -0.005 | -0.125 | 18.705 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 18 | ARG | 1 | 0.796 | 0.999 | 22.551 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 19 | SER | 0 | 0.022 | -0.085 | 19.955 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 19 | SER | 0 | -0.040 | 0.086 | 18.894 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 20 | GLY | 0 | -0.025 | -0.080 | 18.335 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 21 | GLY | 0 | 0.014 | -0.032 | 14.490 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 22 | LEU | 0 | 0.032 | 0.004 | 13.381 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 22 | LEU | 0 | -0.085 | 0.077 | 10.852 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 23 | MET | 0 | 0.022 | -0.164 | 14.643 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 23 | MET | 0 | -0.080 | 0.199 | 16.069 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 24 | PRO | 0 | 0.083 | -0.090 | 17.339 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 25 | ARG | 0 | 0.072 | -0.025 | 18.846 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 25 | ARG | 1 | 0.755 | 1.046 | 21.939 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 26 | GLY | 0 | -0.025 | -0.129 | 22.158 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 27 | HIS | 0 | 0.127 | 0.040 | 21.978 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 27 | HIS | 0 | -0.113 | 0.093 | 20.703 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 28 | ASN | 0 | 0.028 | -0.078 | 21.765 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 28 | ASN | 0 | -0.105 | 0.037 | 25.481 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 29 | GLU | 0 | 0.174 | -0.121 | 21.813 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 29 | GLU | -1 | -1.008 | -0.824 | 23.051 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 30 | TYR | 0 | 0.093 | -0.081 | 18.676 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 30 | TYR | 0 | -0.068 | 0.081 | 15.854 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 31 | PHE | 0 | -0.003 | -0.105 | 19.889 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 31 | PHE | 0 | -0.130 | 0.044 | 19.006 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 32 | ASP | 0 | 0.140 | -0.111 | 22.580 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 32 | ASP | -1 | -0.829 | -0.775 | 24.783 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 33 | ARG | 0 | 0.009 | -0.116 | 24.944 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 33 | ARG | 1 | 0.771 | 0.997 | 22.953 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 34 | GLY | 0 | -0.016 | -0.093 | 27.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 35 | THR | 0 | -0.056 | 0.005 | 28.472 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 35 | THR | 0 | -0.028 | 0.066 | 27.400 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 36 | GLN | 0 | 0.136 | -0.073 | 26.500 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 36 | GLN | 0 | -0.093 | 0.101 | 23.977 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 37 | MET | 0 | 0.078 | -0.077 | 24.057 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 37 | MET | 0 | -0.089 | 0.104 | 19.761 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 38 | ASN | 0 | 0.163 | -0.077 | 25.457 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 38 | ASN | 0 | -0.100 | 0.068 | 26.189 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 39 | ILE | 0 | 0.006 | -0.114 | 22.432 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 39 | ILE | 0 | -0.106 | 0.077 | 20.408 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 40 | ASN | 0 | 0.151 | -0.084 | 22.206 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 40 | ASN | 0 | -0.065 | 0.111 | 24.438 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 41 | LEU | 0 | 0.139 | -0.084 | 19.826 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 41 | LEU | 0 | -0.106 | 0.111 | 16.770 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 42 | TYR | 0 | 0.113 | -0.089 | 20.563 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 42 | TYR | 0 | -0.064 | 0.107 | 23.579 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 43 | ASP | 0 | 0.043 | -0.130 | 22.976 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 43 | ASP | -1 | -0.894 | -0.777 | 24.792 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 44 | HIS | 0 | 0.083 | -0.098 | 20.039 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 44 | HIS | 0 | -0.108 | 0.086 | 16.557 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 45 | ALA | 0 | 0.002 | -0.132 | 19.244 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 45 | ALA | 0 | -0.046 | 0.124 | 19.085 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 46 | ARG | 0 | 0.003 | -0.159 | 20.144 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 46 | ARG | 1 | 0.796 | 1.032 | 24.063 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 47 | GLY | 0 | -0.014 | -0.078 | 23.399 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 48 | THR | 0 | 0.025 | 0.006 | 22.126 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 48 | THR | 0 | -0.019 | 0.077 | 22.046 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 49 | GLN | 0 | 0.007 | -0.096 | 22.093 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 49 | GLN | 0 | -0.046 | 0.109 | 20.972 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 50 | THR | 0 | 0.058 | -0.112 | 23.192 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 50 | THR | 0 | -0.005 | 0.117 | 26.399 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 51 | GLY | 0 | 0.015 | -0.091 | 23.392 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 52 | PHE | 0 | 0.037 | -0.039 | 19.564 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 52 | PHE | 0 | -0.036 | 0.112 | 19.135 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 53 | VAL | 0 | 0.096 | -0.080 | 15.919 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 53 | VAL | 0 | -0.063 | 0.111 | 14.170 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 54 | ARG | 0 | 0.134 | -0.085 | 17.365 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 54 | ARG | 1 | 0.720 | 0.991 | 16.914 | 0.440 | 0.440 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 55 | TYR | 0 | 0.068 | -0.064 | 16.211 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 55 | TYR | 0 | -0.132 | 0.055 | 16.994 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 56 | ASP | 0 | 0.148 | -0.050 | 18.015 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 56 | ASP | -1 | -0.859 | -0.799 | 22.377 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 57 | ASP | 0 | 0.106 | -0.102 | 20.416 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 57 | ASP | -1 | -0.974 | -0.804 | 22.474 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 58 | GLY | 0 | 0.104 | -0.101 | 20.326 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 59 | TYR | 0 | -0.005 | -0.031 | 16.358 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 59 | TYR | 0 | -0.005 | 0.133 | 15.120 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 60 | VAL | 0 | 0.101 | -0.108 | 13.898 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 60 | VAL | 0 | -0.131 | 0.106 | 12.295 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 61 | SER | 0 | 0.077 | -0.079 | 12.442 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 61 | SER | 0 | -0.077 | 0.042 | 13.686 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 62 | THR | 0 | -0.108 | -0.110 | 8.498 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 62 | THR | 0 | -0.004 | 0.050 | 7.799 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 63 | LYS | 0 | 0.101 | -0.059 | 8.720 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 63 | LYS | 1 | 0.763 | 1.009 | 9.406 | 0.884 | 0.884 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 64 | LEU | 0 | 0.142 | -0.095 | 6.101 | -0.942 | -0.942 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 64 | LEU | 0 | -0.007 | 0.156 | 6.319 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 65 | SER | 0 | -0.007 | -0.110 | 5.588 | -0.731 | -0.731 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 65 | SER | 0 | -0.025 | 0.076 | 8.141 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 66 | LEU | 0 | 0.192 | -0.070 | 7.370 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 66 | LEU | 0 | -0.086 | 0.122 | 7.522 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 67 | ARG | 0 | 0.028 | -0.112 | 8.625 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 67 | ARG | 1 | 0.854 | 1.062 | 12.040 | 0.803 | 0.803 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 68 | SER | 0 | 0.070 | -0.066 | 11.252 | 0.198 | 0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 68 | SER | 0 | 0.036 | 0.080 | 10.954 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 69 | ALA | 0 | 0.111 | -0.071 | 10.231 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 69 | ALA | 0 | -0.086 | 0.111 | 9.525 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 70 | HIS | 0 | 0.033 | -0.078 | 11.513 | 0.147 | 0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 70 | HIS | 0 | -0.064 | 0.078 | 13.137 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 71 | LEU | 0 | 0.046 | -0.111 | 13.956 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 71 | LEU | 0 | -0.079 | 0.088 | 15.937 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 72 | ALA | 0 | 0.114 | -0.092 | 15.315 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 72 | ALA | 0 | -0.090 | 0.103 | 14.767 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 73 | GLY | 0 | 0.029 | -0.105 | 15.620 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 74 | GLN | 0 | 0.034 | 0.014 | 16.987 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 74 | GLN | 0 | -0.035 | 0.126 | 18.255 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 75 | SER | 0 | 0.119 | -0.054 | 19.775 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 75 | SER | 0 | -0.040 | 0.067 | 20.596 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 76 | ILE | 0 | -0.062 | -0.120 | 20.193 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 76 | ILE | 0 | -0.094 | 0.088 | 18.539 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 77 | LEU | 0 | 0.016 | -0.122 | 20.098 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 77 | LEU | 0 | -0.079 | 0.093 | 17.455 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 78 | SER | 0 | 0.037 | -0.114 | 21.372 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 78 | SER | 0 | -0.009 | 0.102 | 24.103 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 79 | GLY | 0 | -0.014 | -0.091 | 23.576 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 80 | TYR | 0 | 0.024 | -0.008 | 22.786 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 80 | TYR | 0 | -0.064 | 0.112 | 22.041 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 81 | SER | 0 | 0.070 | -0.072 | 23.210 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 81 | SER | 0 | -0.033 | 0.068 | 25.598 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 82 | THR | 0 | 0.024 | -0.058 | 21.026 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 82 | THR | 0 | -0.046 | 0.034 | 19.846 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 83 | TYR | 0 | 0.002 | -0.060 | 18.311 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 83 | TYR | 0 | -0.061 | 0.059 | 15.282 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 84 | TYR | 0 | 0.074 | -0.108 | 14.609 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 84 | TYR | 0 | -0.067 | 0.091 | 13.673 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 85 | ILE | 0 | 0.157 | -0.051 | 10.954 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 85 | ILE | 0 | -0.107 | 0.094 | 8.858 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 86 | TYR | 0 | 0.056 | -0.113 | 9.148 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 86 | TYR | 0 | -0.122 | 0.050 | 9.369 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 87 | VAL | 0 | 0.126 | -0.084 | 5.060 | -0.365 | -0.389 | -0.002 | -0.003 | 0.029 | 0.000 |
| 156 | A | 87 | VAL | 0 | -0.137 | 0.089 | 3.377 | 0.376 | -0.109 | 0.065 | 0.561 | -0.140 | 0.000 |
| 157 | A | 88 | ILE | 0 | 0.025 | -0.129 | 4.397 | 0.679 | 0.857 | -0.001 | -0.056 | -0.121 | 0.000 |
| 158 | A | 88 | ILE | 0 | -0.072 | 0.106 | 5.071 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 89 | ALA | 0 | 0.145 | -0.078 | 2.325 | -0.292 | 0.118 | 3.915 | -2.353 | -1.973 | -0.019 |
| 160 | A | 89 | ALA | 0 | -0.058 | 0.099 | 5.135 | -0.128 | -0.111 | -0.001 | -0.012 | -0.004 | 0.000 |
| 161 | A | 90 | THR | 0 | 0.022 | -0.111 | 3.851 | -1.771 | -1.725 | 0.000 | -0.025 | -0.021 | 0.000 |
| 162 | A | 90 | THR | 0 | -0.046 | 0.087 | 2.475 | 0.274 | 0.668 | 0.326 | -0.234 | -0.486 | 0.000 |
| 163 | A | 91 | ALA | 0 | 0.041 | -0.094 | 5.151 | 0.327 | 0.350 | -0.002 | -0.001 | -0.020 | 0.000 |
| 164 | A | 91 | ALA | 0 | -0.050 | 0.086 | 8.544 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 92 | PRO | 0 | 0.011 | -0.079 | 8.872 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 93 | ASN | 0 | 0.102 | 0.080 | 11.226 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 93 | ASN | 0 | 0.011 | 0.073 | 10.411 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 94 | MET | 0 | 0.043 | -0.111 | 9.218 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 94 | MET | 0 | -0.094 | 0.085 | 6.637 | -0.129 | -0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 95 | PHE | 0 | 0.062 | -0.089 | 10.757 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 95 | PHE | 0 | -0.027 | 0.145 | 13.968 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 96 | ASN | 0 | 0.195 | -0.078 | 11.477 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 96 | ASN | 0 | -0.163 | 0.059 | 10.797 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 97 | VAL | 0 | 0.060 | -0.097 | 12.103 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 97 | VAL | 0 | -0.086 | 0.091 | 13.812 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 98 | ASN | 0 | 0.112 | -0.054 | 14.648 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 98 | ASN | 0 | -0.112 | 0.050 | 14.924 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 99 | ASP | 0 | 0.094 | -0.097 | 15.116 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 99 | ASP | -1 | -0.949 | -0.836 | 13.450 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 100 | VAL | 0 | 0.066 | -0.095 | 16.500 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 100 | VAL | 0 | -0.077 | 0.113 | 15.916 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 101 | LEU | 0 | 0.067 | -0.092 | 18.381 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 101 | LEU | 0 | -0.068 | 0.106 | 19.321 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 102 | GLY | 0 | 0.089 | -0.062 | 19.683 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 103 | VAL | 0 | 0.006 | -0.038 | 21.216 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 103 | VAL | 0 | -0.029 | 0.121 | 24.461 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 104 | TYR | 0 | 0.033 | -0.089 | 23.499 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 104 | TYR | 0 | -0.141 | 0.030 | 24.481 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 105 | SER | 0 | 0.073 | -0.111 | 20.067 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 105 | SER | 0 | -0.070 | 0.066 | 18.360 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 106 | PRO | 0 | -0.022 | -0.088 | 20.909 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 107 | HIS | 0 | -0.022 | -0.012 | 20.348 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 107 | HIS | 1 | 0.747 | 1.014 | 19.532 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 108 | PRO | 0 | 0.136 | -0.062 | 18.377 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 109 | TYR | 0 | 0.166 | 0.039 | 17.261 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 109 | TYR | 0 | -0.087 | 0.090 | 19.419 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 110 | GLU | 0 | 0.072 | -0.090 | 16.131 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 110 | GLU | -1 | -0.960 | -0.850 | 16.034 | -0.473 | -0.473 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 111 | GLN | 0 | -0.032 | -0.115 | 13.087 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 111 | GLN | 0 | -0.130 | 0.060 | 12.276 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 112 | GLU | 0 | 0.149 | -0.089 | 11.337 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 112 | GLU | -1 | -0.819 | -0.728 | 13.191 | -0.596 | -0.596 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 113 | VAL | 0 | 0.053 | -0.101 | 8.867 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 113 | VAL | 0 | -0.074 | 0.109 | 7.593 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 114 | SER | 0 | 0.001 | -0.086 | 10.236 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 114 | SER | 0 | -0.050 | 0.053 | 13.885 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 115 | ALA | 0 | 0.168 | -0.090 | 11.473 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 115 | ALA | 0 | -0.092 | 0.078 | 10.445 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 116 | LEU | 0 | 0.111 | -0.107 | 12.254 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 116 | LEU | 0 | -0.117 | 0.127 | 15.996 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 117 | GLY | 0 | 0.000 | -0.122 | 15.738 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 118 | GLY | 0 | 0.006 | 0.002 | 14.743 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 119 | ILE | 0 | 0.035 | -0.033 | 10.898 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 119 | ILE | 0 | -0.119 | 0.094 | 8.763 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 120 | PRO | 0 | 0.036 | -0.072 | 11.563 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 121 | TYR | 0 | 0.171 | 0.018 | 11.760 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 121 | TYR | 0 | -0.085 | 0.100 | 15.039 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 122 | SER | 0 | 0.006 | -0.100 | 12.206 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 122 | SER | 0 | -0.036 | 0.069 | 13.196 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 123 | GLN | 0 | 0.053 | -0.103 | 9.039 | 0.175 | 0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 123 | GLN | 0 | -0.102 | 0.098 | 6.960 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 124 | ILE | 0 | 0.087 | -0.121 | 7.020 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 124 | ILE | 0 | -0.112 | 0.120 | 8.820 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 125 | TYR | 0 | 0.139 | -0.065 | 6.388 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 125 | TYR | 0 | -0.114 | 0.078 | 5.781 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 126 | GLY | 0 | 0.025 | -0.109 | 7.731 | 0.127 | 0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 127 | TRP | 0 | 0.055 | 0.011 | 8.753 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 127 | TRP | 0 | -0.034 | 0.103 | 11.089 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 128 | TYR | 0 | 0.029 | -0.104 | 10.475 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 128 | TYR | 0 | -0.003 | 0.117 | 7.589 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 129 | ARG | 0 | 0.109 | -0.087 | 12.444 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 129 | ARG | 1 | 0.874 | 1.055 | 16.630 | 0.318 | 0.318 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 130 | VAL | 0 | 0.035 | -0.102 | 15.949 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 130 | VAL | 0 | -0.098 | 0.123 | 14.997 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 131 | ASN | 0 | 0.100 | -0.060 | 17.483 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 131 | ASN | 0 | -0.104 | 0.059 | 20.056 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 132 | PHE | 0 | 0.106 | -0.079 | 21.233 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 132 | PHE | 0 | -0.072 | 0.101 | 24.516 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 133 | GLY | 0 | 0.070 | -0.099 | 20.140 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 134 | VAL | 0 | 0.070 | -0.026 | 19.377 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 134 | VAL | 0 | -0.056 | 0.130 | 19.781 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 135 | ILE | 0 | 0.010 | -0.108 | 15.031 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 135 | ILE | 0 | -0.065 | 0.067 | 12.769 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 136 | ASP | 0 | 0.207 | -0.010 | 16.330 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 136 | ASP | -1 | -1.000 | -0.823 | 16.878 | -0.340 | -0.340 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 137 | GLU | 0 | 0.022 | -0.150 | 13.922 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 137 | GLU | -1 | -0.949 | -0.817 | 14.745 | -0.382 | -0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 138 | ARG | 0 | 0.113 | -0.116 | 13.914 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 138 | ARG | 1 | 0.695 | 0.974 | 15.857 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 139 | LEU | 0 | 0.088 | -0.108 | 10.558 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 139 | LEU | 0 | -0.150 | 0.080 | 7.818 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 140 | HIS | 0 | 0.024 | -0.119 | 11.769 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 140 | HIS | 0 | -0.122 | 0.096 | 13.714 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 141 | ARG | 0 | 0.133 | -0.075 | 11.198 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 141 | ARG | 1 | 0.846 | 1.068 | 10.075 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 142 | ASN | 0 | 0.170 | -0.124 | 11.275 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 142 | ASN | 0 | -0.142 | 0.101 | 11.582 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 143 | ARG | 0 | 0.031 | -0.129 | 13.073 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 143 | ARG | 1 | 0.907 | 1.068 | 17.229 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 144 | GLU | 0 | 0.014 | -0.072 | 15.252 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 144 | GLU | -1 | -0.896 | -0.802 | 15.626 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 145 | TYR | 0 | 0.164 | -0.059 | 11.003 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 145 | TYR | 0 | -0.127 | 0.075 | 7.545 | 0.267 | 0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 146 | ARG | 0 | 0.026 | -0.106 | 11.706 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 146 | ARG | 1 | 0.680 | 0.940 | 12.744 | -0.346 | -0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 147 | ASP | 0 | 0.089 | -0.112 | 10.885 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 147 | ASP | -1 | -0.860 | -0.777 | 10.578 | 1.350 | 1.350 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 148 | ARG | 0 | 0.148 | -0.054 | 11.723 | 0.208 | 0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 148 | ARG | 1 | 0.855 | 1.049 | 15.872 | -0.507 | -0.507 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 149 | TYR | 0 | 0.064 | -0.080 | 13.477 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 149 | TYR | 0 | -0.093 | 0.080 | 12.483 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 150 | TYR | 0 | 0.072 | -0.093 | 8.816 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 150 | TYR | 0 | -0.079 | 0.075 | 7.761 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 151 | ARG | 0 | 0.059 | -0.084 | 8.404 | 0.583 | 0.583 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 151 | ARG | 1 | 0.774 | 1.006 | 11.309 | -1.136 | -1.136 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 152 | ASN | 0 | 0.067 | -0.058 | 9.317 | 0.458 | 0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 152 | ASN | 0 | -0.122 | 0.046 | 12.464 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 153 | LEU | 0 | 0.115 | -0.089 | 9.353 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 153 | LEU | 0 | -0.105 | 0.086 | 9.266 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 154 | ASN | 0 | 0.091 | -0.063 | 7.025 | 0.684 | 0.684 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 154 | ASN | 0 | -0.075 | 0.083 | 6.872 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 155 | ILE | 0 | 0.120 | -0.114 | 7.381 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 155 | ILE | 0 | -0.092 | 0.093 | 5.409 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 156 | ALA | 0 | 0.063 | -0.112 | 8.718 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 156 | ALA | 0 | -0.056 | 0.132 | 13.340 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 157 | PRO | 0 | -0.045 | -0.111 | 12.541 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 158 | ALA | 0 | 0.169 | 0.011 | 14.323 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 158 | ALA | 0 | -0.058 | 0.118 | 15.848 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 159 | GLU | 0 | 0.081 | -0.131 | 16.495 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 159 | GLU | -1 | -0.993 | -0.836 | 19.246 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 160 | ASP | 0 | -0.007 | -0.124 | 17.939 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 160 | ASP | -1 | -0.962 | -0.809 | 17.327 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 161 | GLY | 0 | -0.005 | -0.132 | 17.943 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 162 | TYR | 0 | 0.071 | -0.003 | 18.809 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 162 | TYR | 0 | -0.072 | 0.128 | 19.749 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 163 | ARG | 0 | 0.154 | -0.076 | 21.896 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 163 | ARG | 1 | 0.807 | 1.014 | 20.660 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 164 | LEU | 0 | -0.027 | -0.131 | 21.066 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 164 | LEU | 0 | -0.093 | 0.088 | 19.120 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 165 | ALA | 0 | 0.063 | -0.121 | 21.381 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 165 | ALA | 0 | -0.060 | 0.130 | 22.407 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 166 | GLY | 0 | 0.007 | -0.116 | 22.397 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 167 | PHE | 0 | 0.040 | -0.003 | 25.167 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 167 | PHE | 0 | -0.069 | 0.102 | 23.858 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 168 | PRO | 0 | 0.062 | -0.052 | 27.375 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 169 | PRO | 0 | 0.104 | 0.021 | 30.972 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 170 | ASP | 0 | 0.017 | -0.035 | 33.655 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 170 | ASP | -1 | -0.939 | -0.813 | 35.171 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 171 | HIS | 0 | 0.138 | -0.074 | 30.924 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 171 | HIS | 0 | -0.112 | 0.099 | 28.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 172 | GLN | 0 | 0.064 | -0.099 | 31.764 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 172 | GLN | 0 | -0.029 | 0.125 | 31.166 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 173 | ALA | 0 | 0.178 | -0.081 | 28.029 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 173 | ALA | 0 | -0.068 | 0.098 | 27.218 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 174 | TRP | 0 | 0.013 | -0.109 | 29.198 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 174 | TRP | 0 | -0.142 | 0.064 | 25.873 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 175 | ARG | 0 | 0.094 | -0.091 | 30.766 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 175 | ARG | 1 | 0.684 | 0.964 | 33.138 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 176 | GLU | 0 | 0.047 | -0.094 | 30.871 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 176 | GLU | -1 | -0.927 | -0.805 | 29.073 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 177 | GLU | 0 | 0.110 | -0.120 | 28.692 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 177 | GLU | -1 | -0.915 | -0.791 | 28.149 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 178 | PRO | 0 | -0.003 | -0.093 | 23.259 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 179 | TRP | 0 | 0.061 | -0.023 | 25.870 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 179 | TRP | 0 | -0.135 | 0.074 | 22.388 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 180 | ILE | 0 | 0.113 | -0.068 | 26.677 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 180 | ILE | 0 | -0.091 | 0.091 | 30.001 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 181 | HIS | 0 | -0.016 | -0.137 | 29.029 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 181 | HIS | 0 | -0.126 | 0.054 | 28.008 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 182 | HIS | 0 | 0.045 | -0.092 | 25.921 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 182 | HIS | 0 | -0.159 | 0.026 | 24.876 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 183 | ALA | 0 | 0.130 | -0.110 | 27.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 183 | ALA | 0 | -0.068 | 0.132 | 30.280 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 184 | PRO | 0 | -0.016 | -0.100 | 27.537 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 185 | GLN | 0 | 0.175 | 0.017 | 30.206 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 185 | GLN | 0 | -0.148 | 0.098 | 33.963 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 186 | GLY | 0 | -0.027 | -0.123 | 33.913 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 187 | CYS | 0 | -0.019 | -0.070 | 31.792 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 187 | CYS | 0 | -0.216 | 0.214 | 31.218 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 188 | GLY | 0 | 0.030 | -0.065 | 33.297 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 196 | GLY | 0 | 0.003 | -0.019 | 38.313 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 197 | ASP | 0 | 0.094 | -0.008 | 36.116 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 197 | ASP | -1 | -0.911 | -0.798 | 35.179 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 198 | THR | 0 | 0.068 | -0.065 | 34.623 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 198 | THR | 0 | -0.016 | 0.068 | 35.694 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 199 | CYS | 0 | 0.183 | -0.080 | 32.936 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 200 | ASN | 0 | 0.060 | -0.018 | 30.521 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 200 | ASN | 0 | -0.149 | 0.019 | 30.372 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 201 | GLU | 0 | 0.006 | -0.133 | 30.071 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 201 | GLU | -1 | -0.977 | -0.838 | 33.421 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 202 | GLU | 0 | 0.138 | -0.125 | 30.910 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 202 | GLU | -1 | -0.932 | -0.815 | 30.632 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 203 | THR | 0 | 0.023 | -0.112 | 26.956 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 203 | THR | 0 | -0.047 | 0.086 | 25.282 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 204 | GLN | 0 | 0.112 | -0.054 | 25.839 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 204 | GLN | 0 | -0.063 | 0.118 | 26.279 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 205 | ASN | 0 | 0.066 | -0.082 | 26.365 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 205 | ASN | 0 | -0.114 | 0.072 | 29.818 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 206 | LEU | 0 | 0.068 | -0.117 | 26.035 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 206 | LEU | 0 | -0.040 | 0.130 | 25.261 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 207 | SER | 0 | -0.005 | -0.124 | 22.151 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 207 | SER | 0 | -0.034 | 0.071 | 21.980 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 208 | THR | 0 | 0.021 | -0.099 | 21.868 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 208 | THR | 0 | -0.077 | 0.050 | 25.110 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 209 | ILE | 0 | 0.046 | -0.104 | 23.733 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 209 | ILE | 0 | -0.052 | 0.129 | 24.646 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 210 | TYR | 0 | 0.139 | -0.083 | 20.575 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 210 | TYR | 0 | -0.113 | 0.076 | 15.241 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 211 | LEU | 0 | 0.065 | -0.125 | 18.720 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 211 | LEU | 0 | -0.092 | 0.111 | 17.834 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 212 | ARG | 0 | 0.001 | -0.129 | 19.654 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 212 | ARG | 1 | 0.842 | 1.066 | 23.752 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 213 | GLU | 0 | 0.103 | -0.144 | 21.546 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 213 | GLU | -1 | -0.992 | -0.818 | 21.137 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 214 | TYR | 0 | 0.052 | -0.121 | 16.807 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 214 | TYR | 0 | -0.054 | 0.112 | 11.191 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 215 | GLN | 0 | 0.039 | -0.121 | 17.525 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 215 | GLN | 0 | -0.032 | 0.125 | 18.625 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 216 | SER | 0 | 0.071 | -0.062 | 19.165 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 216 | SER | 0 | -0.042 | 0.075 | 21.943 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 217 | LYS | 0 | -0.034 | -0.137 | 17.711 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 217 | LYS | 1 | 0.899 | 1.082 | 16.953 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 218 | VAL | 0 | 0.111 | -0.084 | 16.556 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 218 | VAL | 0 | -0.070 | 0.106 | 14.703 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 219 | LYS | 0 | 0.082 | -0.087 | 17.298 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 219 | LYS | 1 | 0.867 | 1.076 | 21.216 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 220 | ARG | 0 | 0.139 | -0.054 | 20.808 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 220 | ARG | 1 | 0.845 | 1.050 | 20.640 | -0.242 | -0.242 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 221 | GLN | 0 | 0.003 | -0.076 | 17.547 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 221 | GLN | 0 | -0.100 | 0.057 | 15.911 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 222 | ILE | 0 | 0.072 | -0.071 | 18.922 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 222 | ILE | 0 | -0.108 | 0.069 | 17.318 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 223 | PHE | 0 | 0.088 | -0.097 | 19.972 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 223 | PHE | 0 | -0.052 | 0.086 | 23.028 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 224 | SER | 0 | 0.095 | -0.078 | 22.848 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 224 | SER | 0 | -0.085 | 0.043 | 22.754 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 225 | ASP | 0 | 0.066 | -0.087 | 23.004 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 225 | ASP | -1 | -0.896 | -0.771 | 21.108 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 226 | TYR | 0 | 0.003 | -0.105 | 24.174 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 226 | TYR | 0 | -0.100 | 0.071 | 23.765 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 227 | GLN | 0 | 0.106 | -0.069 | 27.303 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 227 | GLN | 0 | -0.157 | 0.053 | 27.977 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 228 | SER | 0 | 0.063 | -0.088 | 29.346 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 228 | SER | 0 | -0.065 | 0.076 | 32.416 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 229 | GLU | 0 | 0.030 | -0.128 | 32.369 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 229 | GLU | -1 | -0.943 | -0.812 | 31.736 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 230 | VAL | 0 | 0.067 | -0.097 | 34.540 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 230 | VAL | 0 | -0.124 | 0.070 | 37.000 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 231 | ASP | 0 | 0.173 | -0.089 | 38.269 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 231 | ASP | -1 | -0.956 | -0.810 | 41.316 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 232 | ILE | 0 | 0.019 | -0.119 | 41.282 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 232 | ILE | 0 | -0.081 | 0.083 | 39.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 233 | TYR | 0 | 0.103 | -0.093 | 42.923 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 233 | TYR | 0 | -0.072 | 0.090 | 44.133 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 234 | ASN | 0 | 0.101 | -0.050 | 45.095 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 234 | ASN | 0 | -0.124 | 0.057 | 44.800 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 235 | ARG | 0 | 0.109 | -0.056 | 44.678 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 235 | ARG | 1 | 0.821 | 1.036 | 39.936 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 236 | ILE | 0 | -0.100 | -0.138 | 46.032 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 236 | ILE | 0 | 0.014 | 0.009 | 45.490 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |