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: 16YGZ
Calculation Name: 1SQH-A-Xray540
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 1SQH
Chain ID: A
UniProt ID: Q9VR51
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 | 565 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -4524626.041386 |
|---|---|
| FMO2-HF: Nuclear repulsion | 4405664.343369 |
| FMO2-HF: Total energy | -118961.698017 |
| FMO2-MP2: Total energy | -119309.824811 |
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:7:GLY)
Summations of interaction energy for
fragment #1(A:7:GLY)
| 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. |
| -3.471 | -1.706 | 0.063 | -0.775 | -1.053 | 0.002 |
Interaction energy analysis for fragmet #1(A:7:GLY)
| 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 | 8 | ASP | -1 | -0.792 | -0.748 | 4.579 | -1.544 | -1.238 | 0.000 | -0.099 | -0.207 | 0.000 |
| 4 | A | 9 | ILE | 0 | 0.070 | -0.100 | 3.814 | 1.077 | 1.742 | -0.004 | -0.346 | -0.315 | 0.001 |
| 5 | A | 9 | ILE | 0 | -0.048 | 0.132 | 7.438 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 6 | A | 10 | LEU | 0 | 0.052 | -0.099 | 6.516 | 0.675 | 0.675 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 10 | LEU | 0 | -0.073 | 0.118 | 7.903 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 11 | ARG | 0 | 0.093 | -0.142 | 5.968 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 11 | ARG | 1 | 0.774 | 1.031 | 7.159 | -0.827 | -0.827 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 12 | PRO | 0 | -0.066 | -0.112 | 6.916 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 13 | LEU | 0 | 0.042 | -0.026 | 9.871 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 13 | LEU | 0 | -0.076 | 0.117 | 12.354 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 14 | SER | 0 | 0.028 | -0.053 | 13.159 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 14 | SER | 0 | -0.067 | 0.032 | 14.780 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 15 | ASP | 0 | 0.109 | -0.083 | 15.284 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 15 | ASP | -1 | -0.882 | -0.790 | 18.636 | 0.271 | 0.271 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 16 | SER | 0 | 0.134 | -0.059 | 18.792 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 16 | SER | 0 | -0.012 | 0.082 | 19.161 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 17 | GLU | 0 | 0.037 | -0.107 | 16.664 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 17 | GLU | -1 | -0.858 | -0.758 | 14.309 | 0.622 | 0.622 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 18 | VAL | 0 | 0.108 | -0.088 | 18.149 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 18 | VAL | 0 | -0.086 | 0.111 | 17.014 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 19 | ASP | 0 | 0.119 | -0.069 | 19.147 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 19 | ASP | -1 | -0.909 | -0.777 | 22.667 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 20 | GLU | 0 | 0.045 | -0.122 | 21.363 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 20 | GLU | -1 | -0.867 | -0.819 | 20.202 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 21 | LEU | 0 | 0.060 | -0.102 | 19.941 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 21 | LEU | 0 | -0.107 | 0.102 | 17.807 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 22 | LEU | 0 | 0.069 | -0.106 | 21.206 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 22 | LEU | 0 | -0.121 | 0.099 | 23.819 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 23 | ASP | 0 | 0.092 | -0.130 | 24.246 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 23 | ASP | -1 | -0.950 | -0.820 | 26.489 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 24 | LEU | 0 | 0.087 | -0.117 | 24.073 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 24 | LEU | 0 | -0.102 | 0.104 | 21.569 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 25 | TYR | 0 | 0.089 | -0.084 | 25.036 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 25 | TYR | 0 | -0.159 | 0.047 | 21.181 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 26 | LYS | 0 | 0.064 | -0.092 | 26.415 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 26 | LYS | 1 | 0.868 | 1.071 | 28.880 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 27 | VAL | 0 | 0.040 | -0.110 | 29.016 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 27 | VAL | 0 | -0.094 | 0.100 | 29.126 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 28 | LYS | 0 | 0.082 | -0.107 | 28.269 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 28 | LYS | 1 | 0.787 | 1.055 | 27.162 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 29 | PHE | 0 | -0.034 | -0.136 | 29.715 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 29 | PHE | 0 | -0.109 | 0.067 | 26.009 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 30 | GLY | 0 | 0.093 | -0.050 | 31.211 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 31 | ILE | 0 | 0.103 | -0.028 | 31.993 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 31 | ILE | 0 | -0.074 | 0.137 | 33.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 32 | ARG | 0 | 0.038 | -0.136 | 33.746 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 32 | ARG | 1 | 0.859 | 1.040 | 35.400 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 33 | ASN | 0 | 0.075 | -0.028 | 30.309 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 33 | ASN | 0 | -0.046 | 0.094 | 28.044 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 34 | PHE | 0 | 0.092 | -0.085 | 29.322 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 34 | PHE | 0 | -0.041 | 0.107 | 28.917 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 35 | HIS | 0 | 0.133 | -0.077 | 24.971 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 35 | HIS | 0 | -0.016 | 0.143 | 23.233 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 36 | TYR | 0 | 0.130 | -0.075 | 25.102 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 36 | TYR | 0 | -0.050 | 0.092 | 27.918 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 37 | LEU | 0 | 0.054 | -0.102 | 27.224 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 37 | LEU | 0 | -0.100 | 0.109 | 29.684 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 38 | LEU | 0 | 0.144 | -0.075 | 25.017 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 38 | LEU | 0 | -0.118 | 0.099 | 22.225 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 39 | LEU | 0 | 0.052 | -0.120 | 23.195 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 39 | LEU | 0 | -0.106 | 0.096 | 20.990 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 40 | TYR | 0 | 0.091 | -0.107 | 24.074 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 40 | TYR | 0 | -0.125 | 0.038 | 28.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 41 | ASN | 0 | 0.142 | -0.053 | 27.377 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 41 | ASN | 0 | -0.091 | 0.092 | 26.581 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 42 | GLN | 0 | 0.024 | -0.110 | 23.086 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 42 | GLN | 0 | -0.141 | 0.051 | 21.121 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 43 | ARG | 0 | 0.099 | -0.107 | 24.108 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 43 | ARG | 1 | 0.662 | 0.920 | 21.434 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 44 | LYS | 0 | 0.094 | -0.081 | 24.860 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 44 | LYS | 1 | 0.726 | 1.008 | 29.251 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 45 | TRP | 0 | 0.048 | -0.106 | 26.878 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 45 | TRP | 0 | -0.096 | 0.062 | 25.424 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 46 | ASP | 0 | 0.027 | -0.114 | 23.676 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 46 | ASP | -1 | -0.879 | -0.792 | 21.912 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 47 | ARG | 0 | 0.119 | -0.083 | 24.814 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 47 | ARG | 1 | 0.777 | 1.020 | 27.918 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 48 | GLN | 0 | 0.071 | -0.092 | 27.729 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 48 | GLN | 0 | -0.082 | 0.060 | 29.808 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 49 | LEU | 0 | 0.119 | -0.083 | 26.818 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 49 | LEU | 0 | -0.133 | 0.085 | 25.331 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 50 | SER | 0 | 0.011 | -0.079 | 26.643 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 50 | SER | 0 | -0.049 | 0.067 | 25.803 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 51 | GLU | 0 | 0.049 | -0.087 | 27.288 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 51 | GLU | -1 | -0.909 | -0.803 | 30.452 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 52 | ALA | 0 | 0.044 | -0.085 | 30.423 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 52 | ALA | 0 | -0.116 | 0.062 | 30.512 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 53 | GLN | 0 | 0.047 | -0.101 | 28.837 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 53 | GLN | 0 | -0.151 | 0.065 | 30.207 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 54 | ILE | 0 | 0.129 | -0.123 | 27.666 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 54 | ILE | 0 | -0.139 | 0.094 | 26.244 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 55 | PRO | 0 | -0.008 | -0.083 | 23.790 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 56 | ARG | 0 | 0.153 | 0.038 | 20.244 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 56 | ARG | 1 | 0.786 | 0.970 | 17.865 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 57 | ASN | 0 | 0.040 | -0.065 | 19.142 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 57 | ASN | 0 | -0.101 | 0.057 | 15.827 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 58 | ASP | 0 | 0.121 | -0.107 | 20.276 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 58 | ASP | -1 | -0.862 | -0.795 | 25.021 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 59 | LEU | 0 | 0.162 | -0.058 | 23.725 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 59 | LEU | 0 | -0.086 | 0.099 | 24.035 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 60 | ASN | 0 | 0.003 | -0.095 | 24.663 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 60 | ASN | 0 | -0.145 | 0.039 | 28.329 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 61 | HIS | 0 | 0.069 | -0.090 | 25.866 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 61 | HIS | 0 | -0.102 | 0.061 | 26.318 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 62 | ILE | 0 | 0.089 | -0.133 | 22.171 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 62 | ILE | 0 | -0.038 | 0.125 | 20.843 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 63 | SER | 0 | 0.033 | -0.017 | 22.254 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 63 | SER | 0 | 0.012 | 0.084 | 25.748 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 64 | LEU | 0 | 0.017 | -0.114 | 24.614 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 64 | LEU | 0 | -0.094 | 0.108 | 26.304 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 65 | ARG | 0 | 0.071 | -0.102 | 20.806 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 65 | ARG | 1 | 0.823 | 1.043 | 19.943 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 66 | LYS | 0 | 0.085 | -0.077 | 18.485 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 66 | LYS | 1 | 0.869 | 1.050 | 18.732 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 67 | GLN | 0 | 0.051 | -0.095 | 14.091 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 67 | GLN | 0 | -0.109 | 0.085 | 12.503 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 68 | PHE | 0 | 0.128 | -0.087 | 14.467 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 68 | PHE | 0 | -0.036 | 0.108 | 15.653 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 69 | TYR | 0 | 0.035 | -0.109 | 10.955 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 69 | TYR | 0 | -0.090 | 0.088 | 8.385 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 70 | THR | 0 | 0.055 | -0.065 | 10.747 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 70 | THR | 0 | -0.030 | 0.053 | 11.707 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 71 | HIS | 0 | 0.198 | -0.065 | 10.009 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 71 | HIS | 0 | -0.106 | 0.069 | 10.521 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 72 | ARG | 0 | 0.033 | -0.097 | 6.525 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 72 | ARG | 1 | 0.786 | 1.007 | 3.784 | -3.864 | -3.070 | 0.067 | -0.330 | -0.531 | 0.001 |
| 129 | A | 73 | ARG | 0 | -0.038 | -0.113 | 8.040 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 73 | ARG | 1 | 0.737 | 0.966 | 7.115 | 0.457 | 0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 74 | GLY | 0 | 0.081 | -0.066 | 9.838 | -0.119 | -0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 75 | ASN | 0 | 0.165 | 0.039 | 13.237 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 75 | ASN | 0 | -0.112 | 0.080 | 16.801 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 76 | PHE | 0 | 0.048 | -0.116 | 15.735 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 76 | PHE | 0 | -0.057 | 0.109 | 15.215 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 77 | ARG | 0 | 0.076 | -0.104 | 17.028 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 77 | ARG | 1 | 0.743 | 0.985 | 16.998 | -0.296 | -0.296 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 78 | THR | 0 | 0.024 | -0.081 | 19.714 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 78 | THR | 0 | -0.053 | 0.069 | 19.628 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 79 | TRP | 0 | 0.003 | -0.108 | 20.049 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 79 | TRP | 0 | -0.072 | 0.096 | 18.710 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 80 | GLY | 0 | 0.119 | -0.058 | 20.481 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 81 | THR | 0 | 0.049 | 0.009 | 17.205 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 81 | THR | 0 | -0.087 | 0.054 | 15.530 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 82 | TYR | 0 | 0.046 | -0.064 | 15.347 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 82 | TYR | 0 | -0.088 | 0.061 | 16.486 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 83 | VAL | 0 | 0.123 | -0.107 | 14.371 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 83 | VAL | 0 | -0.070 | 0.118 | 13.351 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 84 | SER | 0 | 0.009 | -0.059 | 14.301 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 84 | SER | 0 | -0.036 | 0.062 | 17.578 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 85 | LEU | 0 | 0.051 | -0.117 | 14.631 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 85 | LEU | 0 | -0.093 | 0.102 | 11.814 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 86 | HIS | 0 | 0.148 | -0.086 | 15.972 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 86 | HIS | 0 | -0.129 | 0.075 | 20.262 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 87 | ARG | 0 | 0.121 | -0.080 | 19.086 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 87 | ARG | 1 | 0.689 | 0.950 | 16.926 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 88 | ASP | 0 | 0.134 | -0.044 | 20.383 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 88 | ASP | -1 | -0.838 | -0.805 | 24.699 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 89 | ILE | 0 | 0.088 | -0.081 | 24.031 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 89 | ILE | 0 | -0.118 | 0.082 | 26.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 90 | VAL | 0 | 0.009 | -0.083 | 22.466 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 90 | VAL | 0 | -0.050 | 0.080 | 22.742 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 91 | GLN | 0 | 0.138 | -0.093 | 18.452 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 91 | GLN | 0 | -0.076 | 0.094 | 14.304 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 92 | SER | 0 | -0.011 | -0.090 | 19.725 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 92 | SER | 0 | -0.066 | 0.068 | 21.628 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 93 | VAL | 0 | 0.082 | -0.110 | 18.233 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 93 | VAL | 0 | -0.078 | 0.102 | 16.388 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 94 | SER | 0 | 0.121 | -0.047 | 18.530 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 94 | SER | 0 | -0.038 | 0.088 | 20.420 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 95 | PHE | 0 | 0.053 | -0.111 | 18.166 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 95 | PHE | 0 | -0.070 | 0.087 | 17.650 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 96 | PHE | 0 | 0.092 | -0.088 | 19.264 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 96 | PHE | 0 | -0.087 | 0.091 | 22.022 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 97 | SER | 0 | 0.099 | -0.089 | 19.572 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 97 | SER | 0 | -0.033 | 0.057 | 19.480 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 98 | TRP | 0 | 0.022 | -0.034 | 21.460 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 98 | TRP | 0 | -0.095 | 0.068 | 24.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 99 | GLN | 0 | 0.203 | -0.083 | 22.049 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 99 | GLN | 0 | -0.096 | 0.119 | 19.382 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 100 | PRO | 0 | -0.100 | -0.167 | 23.444 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 101 | ASP | 0 | 0.024 | -0.020 | 25.007 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 101 | ASP | -1 | -0.975 | -0.815 | 25.768 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 102 | GLY | 0 | 0.058 | -0.085 | 24.292 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 103 | ALA | 0 | 0.104 | 0.008 | 21.680 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 103 | ALA | 0 | -0.095 | 0.111 | 21.168 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 104 | ALA | 0 | 0.126 | -0.100 | 19.245 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 104 | ALA | 0 | -0.071 | 0.109 | 18.787 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 105 | GLU | 0 | 0.152 | -0.093 | 15.587 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 105 | GLU | -1 | -0.945 | -0.794 | 14.877 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 106 | LEU | 0 | 0.105 | -0.088 | 14.859 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 106 | LEU | 0 | -0.083 | 0.102 | 16.660 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 107 | TRP | 0 | 0.093 | -0.128 | 15.612 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 107 | TRP | 0 | -0.090 | 0.116 | 18.437 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 108 | GLU | 0 | 0.133 | -0.049 | 13.847 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 108 | GLU | -1 | -0.848 | -0.764 | 11.315 | -0.476 | -0.476 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 109 | CYS | 0 | 0.005 | -0.147 | 11.391 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 109 | CYS | 0 | -0.164 | 0.074 | 12.162 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 110 | LEU | 0 | 0.078 | -0.104 | 11.835 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 110 | LEU | 0 | -0.106 | 0.093 | 15.041 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 111 | GLU | 0 | 0.063 | -0.105 | 14.341 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 111 | GLU | -1 | -0.894 | -0.780 | 15.234 | -0.322 | -0.322 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 112 | GLN | 0 | 0.044 | -0.089 | 10.562 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 112 | GLN | 0 | -0.092 | 0.072 | 9.228 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 113 | THR | 0 | 0.042 | -0.064 | 8.486 | -0.426 | -0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 113 | THR | 0 | -0.068 | 0.016 | 8.453 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 114 | GLN | 0 | -0.027 | -0.134 | 8.524 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 114 | GLN | 0 | -0.071 | 0.095 | 6.930 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 115 | LEU | 0 | 0.078 | -0.107 | 9.844 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 115 | LEU | 0 | -0.067 | 0.092 | 6.714 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 116 | ILE | 0 | 0.096 | -0.072 | 10.458 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 116 | ILE | 0 | -0.097 | 0.098 | 13.043 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 117 | GLU | 0 | 0.066 | -0.103 | 14.076 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 117 | GLU | -1 | -0.907 | -0.758 | 15.466 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 118 | TRP | 0 | 0.067 | -0.132 | 16.807 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 118 | TRP | 0 | -0.017 | 0.114 | 14.695 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 119 | THR | 0 | 0.016 | -0.057 | 18.698 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 119 | THR | 0 | -0.076 | 0.057 | 19.084 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 120 | GLN | 0 | 0.032 | -0.117 | 19.939 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 120 | GLN | 0 | -0.075 | 0.096 | 17.356 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 121 | GLY | 0 | 0.093 | -0.095 | 21.324 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 122 | ALA | 0 | 0.140 | 0.021 | 19.817 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 122 | ALA | 0 | -0.049 | 0.127 | 19.118 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 123 | LEU | 0 | 0.104 | -0.119 | 21.187 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 123 | LEU | 0 | -0.147 | 0.089 | 23.496 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 124 | LEU | 0 | 0.074 | -0.083 | 21.870 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 124 | LEU | 0 | -0.111 | 0.101 | 20.118 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 125 | THR | 0 | 0.016 | -0.105 | 22.666 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 125 | THR | 0 | -0.031 | 0.061 | 23.513 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 126 | ASN | 0 | 0.068 | -0.029 | 23.990 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 126 | ASN | 0 | -0.123 | 0.034 | 23.601 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 127 | VAL | 0 | 0.111 | -0.125 | 24.772 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 127 | VAL | 0 | -0.082 | 0.114 | 23.580 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 128 | ASP | 0 | 0.173 | -0.079 | 25.497 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 128 | ASP | -1 | -0.910 | -0.803 | 26.277 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 129 | LEU | 0 | 0.083 | -0.119 | 27.383 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 129 | LEU | 0 | -0.044 | 0.118 | 31.150 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 130 | GLY | 0 | -0.035 | -0.111 | 28.412 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 131 | PHE | 0 | -0.001 | -0.039 | 24.153 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 131 | PHE | 0 | -0.048 | 0.111 | 23.216 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 132 | CYS | 0 | 0.183 | -0.074 | 24.644 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 132 | CYS | 0 | -0.193 | 0.078 | 27.876 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 133 | ASN | 0 | 0.058 | -0.077 | 26.432 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 133 | ASN | 0 | -0.126 | 0.046 | 28.652 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 134 | ARG | 0 | 0.189 | -0.045 | 24.238 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 134 | ARG | 1 | 0.794 | 1.007 | 19.612 | 0.239 | 0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 135 | VAL | 0 | 0.055 | -0.107 | 21.706 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 135 | VAL | 0 | -0.072 | 0.094 | 20.227 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 136 | LYS | 0 | 0.094 | -0.096 | 22.474 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 136 | LYS | 1 | 0.732 | 0.974 | 26.382 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 137 | GLU | 0 | 0.053 | -0.097 | 24.931 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 137 | GLU | -1 | -0.930 | -0.821 | 24.608 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 138 | LEU | 0 | 0.114 | -0.081 | 20.242 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 138 | LEU | 0 | -0.110 | 0.104 | 16.985 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 139 | ALA | 0 | 0.152 | -0.053 | 20.671 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 139 | ALA | 0 | -0.079 | 0.079 | 22.299 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 140 | VAL | 0 | 0.067 | -0.107 | 21.872 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 140 | VAL | 0 | -0.096 | 0.107 | 25.478 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 141 | SER | 0 | -0.039 | -0.101 | 21.578 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 141 | SER | 0 | -0.074 | 0.041 | 20.424 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 142 | ARG | 0 | -0.034 | -0.137 | 18.750 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 142 | ARG | 1 | 0.773 | 1.027 | 12.750 | 0.589 | 0.589 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 143 | GLY | 0 | 0.029 | -0.104 | 19.761 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 144 | VAL | 0 | 0.081 | -0.003 | 22.668 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 144 | VAL | 0 | -0.099 | 0.104 | 22.164 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 145 | THR | 0 | 0.005 | -0.107 | 24.550 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 145 | THR | 0 | -0.028 | 0.072 | 27.092 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 146 | ALA | 0 | 0.138 | -0.070 | 27.965 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 146 | ALA | 0 | -0.103 | 0.100 | 30.330 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 147 | ILE | 0 | 0.065 | -0.122 | 28.244 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 147 | ILE | 0 | -0.075 | 0.109 | 26.113 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 148 | GLN | 0 | 0.032 | -0.101 | 29.147 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 148 | GLN | 0 | -0.090 | 0.085 | 30.485 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 149 | PRO | 0 | 0.035 | -0.088 | 29.887 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 150 | ARG | 0 | 0.071 | 0.018 | 30.994 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 150 | ARG | 1 | 0.776 | 0.996 | 30.390 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 151 | GLN | 0 | 0.126 | -0.080 | 32.136 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 151 | GLN | 0 | -0.119 | 0.072 | 33.476 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 152 | CYS | 0 | 0.025 | -0.144 | 33.314 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 152 | CYS | 0 | -0.095 | 0.096 | 31.806 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 153 | PHE | 0 | 0.090 | -0.064 | 34.289 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 153 | PHE | 0 | -0.085 | 0.098 | 37.202 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 154 | GLY | 0 | 0.077 | -0.079 | 34.298 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 155 | MET | 0 | 0.068 | -0.012 | 35.072 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 155 | MET | 0 | -0.180 | 0.093 | 38.890 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 156 | VAL | 0 | 0.077 | -0.141 | 37.261 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 156 | VAL | 0 | -0.077 | 0.125 | 36.034 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 157 | LEU | 0 | 0.149 | -0.094 | 38.703 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 157 | LEU | 0 | -0.115 | 0.104 | 41.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 158 | SER | 0 | 0.024 | -0.094 | 40.056 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 158 | SER | 0 | -0.053 | 0.049 | 42.094 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 159 | HIS | 0 | 0.148 | -0.064 | 40.605 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 159 | HIS | 0 | -0.109 | 0.090 | 39.533 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 160 | GLU | 0 | 0.061 | -0.124 | 41.373 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 160 | GLU | -1 | -0.899 | -0.808 | 42.415 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 161 | ASP | 0 | 0.071 | -0.111 | 44.716 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 161 | ASP | -1 | -0.909 | -0.805 | 44.761 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 162 | ALA | 0 | 0.127 | -0.088 | 42.929 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 162 | ALA | 0 | -0.084 | 0.105 | 42.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 163 | PHE | 0 | 0.057 | -0.120 | 44.435 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 163 | PHE | 0 | -0.105 | 0.091 | 43.991 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 164 | CYS | 0 | 0.026 | -0.148 | 45.765 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 164 | CYS | 0 | -0.111 | 0.117 | 48.194 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 165 | ALA | 0 | 0.098 | -0.076 | 47.872 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 165 | ALA | 0 | -0.053 | 0.134 | 47.273 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 166 | LYS | 0 | 0.074 | -0.118 | 49.176 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 166 | LYS | 1 | 0.882 | 1.069 | 53.043 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 167 | VAL | 0 | 0.044 | -0.128 | 50.551 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 167 | VAL | 0 | -0.083 | 0.129 | 49.916 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 168 | PRO | 0 | -0.052 | -0.136 | 51.257 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 169 | ASP | 0 | 0.116 | 0.012 | 53.943 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 169 | ASP | -1 | -0.981 | -0.837 | 57.982 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 170 | LEU | 0 | 0.108 | -0.147 | 54.829 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 170 | LEU | 0 | -0.126 | 0.131 | 52.398 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 171 | PRO | 0 | -0.065 | -0.115 | 55.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 172 | SER | 0 | 0.136 | 0.074 | 57.732 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 172 | SER | 0 | 0.000 | 0.072 | 61.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 173 | GLU | 0 | 0.026 | -0.109 | 59.173 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 173 | GLU | -1 | -0.871 | -0.799 | 58.403 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 174 | PHE | 0 | -0.095 | -0.098 | 54.694 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 174 | PHE | 0 | -0.089 | 0.023 | 53.694 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 175 | GLU | 0 | 0.182 | -0.108 | 53.724 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 175 | GLU | -1 | -0.961 | -0.808 | 53.363 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 176 | ILE | 0 | 0.026 | -0.112 | 49.829 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 176 | ILE | 0 | -0.056 | 0.082 | 49.063 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 177 | ARG | 0 | 0.043 | -0.089 | 47.868 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 177 | ARG | 1 | 0.738 | 0.955 | 45.217 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 178 | ARG | 0 | 0.146 | -0.057 | 43.538 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 178 | ARG | 1 | 0.781 | 1.023 | 37.364 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 179 | LEU | 0 | 0.020 | -0.112 | 41.633 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 179 | LEU | 0 | -0.066 | 0.102 | 40.007 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 180 | ARG | 0 | 0.109 | -0.090 | 41.495 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 180 | ARG | 1 | 0.801 | 1.035 | 43.271 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 181 | ALA | 0 | 0.132 | -0.088 | 38.889 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 181 | ALA | 0 | -0.085 | 0.102 | 38.934 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 182 | GLU | 0 | 0.026 | -0.131 | 39.833 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 182 | GLU | -1 | -0.905 | -0.811 | 43.953 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 183 | ASP | 0 | 0.047 | -0.123 | 42.213 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 183 | ASP | -1 | -0.768 | -0.736 | 41.863 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 184 | ALA | 0 | 0.082 | -0.090 | 37.798 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 184 | ALA | 0 | -0.074 | 0.110 | 36.866 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 185 | ALA | 0 | 0.148 | -0.093 | 38.716 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 185 | ALA | 0 | -0.062 | 0.105 | 40.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 186 | MET | 0 | -0.018 | -0.136 | 40.001 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 186 | MET | 0 | -0.054 | 0.115 | 43.670 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 187 | VAL | 0 | 0.080 | -0.064 | 40.266 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 187 | VAL | 0 | -0.094 | 0.077 | 38.320 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 188 | HIS | 0 | 0.110 | -0.093 | 37.326 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 188 | HIS | 0 | -0.103 | 0.060 | 33.291 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 189 | ASP | 0 | -0.014 | -0.154 | 38.209 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 189 | ASP | -1 | -0.895 | -0.797 | 41.810 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 190 | SER | 0 | 0.031 | -0.083 | 41.040 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 190 | SER | 0 | -0.039 | 0.056 | 41.852 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 191 | TRP | 0 | 0.022 | -0.135 | 37.579 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 191 | TRP | 0 | -0.099 | 0.120 | 32.448 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 192 | PRO | 0 | -0.003 | -0.107 | 38.785 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 193 | ASN | 0 | 0.073 | 0.047 | 35.879 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 193 | ASN | 0 | -0.126 | 0.045 | 35.029 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 194 | LYS | 0 | 0.086 | -0.119 | 33.901 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 194 | LYS | 1 | 0.794 | 1.048 | 34.708 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 195 | GLY | 0 | 0.049 | -0.080 | 31.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 196 | GLU | 0 | -0.029 | -0.064 | 27.808 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 196 | GLU | -1 | -0.866 | -0.766 | 28.138 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 197 | GLY | 0 | 0.011 | -0.089 | 27.632 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 198 | SER | 0 | 0.025 | 0.008 | 29.255 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 198 | SER | 0 | -0.037 | 0.028 | 28.258 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 199 | LEU | 0 | 0.133 | -0.087 | 30.687 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 199 | LEU | 0 | -0.088 | 0.128 | 34.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 200 | THR | 0 | 0.043 | -0.083 | 30.664 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 200 | THR | 0 | 0.004 | 0.084 | 28.776 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 201 | TYR | 0 | 0.037 | -0.084 | 29.230 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 201 | TYR | 0 | -0.029 | 0.101 | 28.300 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 202 | LEU | 0 | 0.055 | -0.119 | 29.912 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 202 | LEU | 0 | -0.089 | 0.117 | 32.532 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 203 | GLN | 0 | 0.109 | -0.111 | 33.489 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 203 | GLN | 0 | -0.087 | 0.082 | 33.422 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 204 | ALA | 0 | 0.125 | -0.079 | 30.189 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 204 | ALA | 0 | -0.077 | 0.114 | 29.679 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 205 | LEU | 0 | 0.034 | -0.134 | 31.696 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 205 | LEU | 0 | -0.078 | 0.100 | 30.324 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 206 | VAL | 0 | 0.101 | -0.097 | 33.026 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 206 | VAL | 0 | -0.143 | 0.122 | 36.259 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 207 | ARG | 0 | 0.023 | -0.097 | 34.752 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 207 | ARG | 1 | 0.816 | 1.034 | 31.880 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 208 | PHE | 0 | -0.026 | -0.123 | 31.943 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 208 | PHE | 0 | -0.091 | 0.077 | 31.139 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 209 | ASN | 0 | 0.173 | -0.022 | 33.437 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 209 | ASN | 0 | -0.112 | 0.056 | 32.077 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 210 | LYS | 0 | 0.090 | -0.106 | 34.588 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 210 | LYS | 1 | 0.791 | 1.023 | 37.677 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 211 | SER | 0 | 0.064 | -0.080 | 37.576 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 211 | SER | 0 | 0.009 | 0.088 | 38.505 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 212 | LEU | 0 | -0.023 | -0.138 | 40.067 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 212 | LEU | 0 | -0.056 | 0.122 | 43.498 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 213 | GLY | 0 | 0.059 | -0.101 | 43.669 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 214 | ILE | 0 | 0.081 | 0.000 | 45.843 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 214 | ILE | 0 | -0.124 | 0.076 | 48.058 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 215 | CYS | 0 | 0.103 | -0.117 | 49.384 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 215 | CYS | 0 | -0.095 | 0.142 | 49.658 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 216 | ARG | 0 | 0.101 | -0.063 | 51.570 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 216 | ARG | 1 | 0.752 | 0.963 | 54.181 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 217 | SER | 0 | 0.040 | -0.039 | 55.214 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 217 | SER | 0 | -0.020 | 0.067 | 57.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 218 | ASP | 0 | 0.105 | 0.001 | 57.424 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 218 | ASP | -1 | -0.904 | -0.830 | 58.715 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 219 | THR | 0 | 0.032 | -0.106 | 56.607 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 219 | THR | 0 | -0.090 | 0.051 | 55.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 220 | GLY | 0 | 0.044 | -0.069 | 53.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 221 | GLU | 0 | 0.057 | -0.037 | 51.315 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 221 | GLU | -1 | -0.867 | -0.791 | 50.873 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 222 | LEU | 0 | 0.126 | -0.109 | 47.310 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 222 | LEU | 0 | -0.130 | 0.111 | 44.101 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 223 | ILE | 0 | -0.029 | -0.134 | 48.704 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 223 | ILE | 0 | -0.113 | 0.097 | 50.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 224 | ALA | 0 | 0.190 | -0.083 | 46.544 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 224 | ALA | 0 | -0.072 | 0.076 | 47.349 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 225 | TRP | 0 | 0.024 | -0.106 | 43.075 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 225 | TRP | 0 | -0.041 | 0.103 | 41.035 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 226 | ILE | 0 | 0.037 | -0.078 | 40.804 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 226 | ILE | 0 | -0.070 | 0.101 | 39.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 227 | PHE | 0 | 0.067 | -0.098 | 36.839 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 227 | PHE | 0 | -0.090 | 0.071 | 35.692 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 228 | GLN | 0 | 0.207 | -0.042 | 35.826 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 228 | GLN | 0 | -0.158 | 0.073 | 34.047 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 229 | ASN | 0 | 0.013 | -0.073 | 32.521 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 229 | ASN | 0 | -0.089 | 0.049 | 32.142 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 230 | ASP | 0 | 0.130 | -0.092 | 27.816 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 230 | ASP | -1 | -0.949 | -0.844 | 26.792 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 231 | PHE | 0 | 0.009 | -0.112 | 27.663 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 231 | PHE | 0 | -0.108 | 0.066 | 26.715 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 232 | SER | 0 | 0.008 | -0.092 | 30.014 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 232 | SER | 0 | -0.020 | 0.070 | 30.870 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 233 | GLY | 0 | 0.039 | -0.085 | 32.661 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 234 | LEU | 0 | 0.080 | -0.033 | 35.202 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 234 | LEU | 0 | -0.102 | 0.113 | 38.607 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 235 | GLY | 0 | -0.015 | -0.121 | 35.289 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 236 | MET | 0 | 0.015 | 0.002 | 36.297 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 236 | MET | 0 | -0.064 | 0.110 | 33.307 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 237 | LEU | 0 | 0.229 | -0.071 | 37.513 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 237 | LEU | 0 | -0.159 | 0.076 | 41.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 238 | GLN | 0 | 0.000 | -0.140 | 41.181 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 238 | GLN | 0 | -0.057 | 0.136 | 41.781 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 239 | VAL | 0 | 0.060 | -0.103 | 43.668 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 239 | VAL | 0 | -0.107 | 0.086 | 46.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 240 | LEU | 0 | 0.087 | -0.080 | 47.342 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 240 | LEU | 0 | -0.056 | 0.129 | 46.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 241 | PRO | 0 | 0.050 | -0.106 | 48.369 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 242 | LYS | 0 | 0.044 | 0.017 | 51.373 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 242 | LYS | 1 | 0.765 | 0.996 | 51.639 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 243 | ALA | 0 | 0.076 | -0.120 | 52.623 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 243 | ALA | 0 | -0.045 | 0.116 | 51.768 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 244 | GLU | 0 | 0.048 | -0.156 | 52.141 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 244 | GLU | -1 | -0.936 | -0.799 | 49.856 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 245 | ARG | 0 | -0.050 | -0.124 | 52.990 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 245 | ARG | 1 | 0.778 | 1.019 | 50.789 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 246 | ARG | 0 | 0.169 | -0.101 | 54.164 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 246 | ARG | 1 | 0.788 | 1.049 | 54.691 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 247 | GLY | 0 | -0.039 | -0.127 | 53.295 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 248 | LEU | 0 | 0.080 | -0.017 | 51.078 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 248 | LEU | 0 | -0.024 | 0.149 | 50.261 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 249 | GLY | 0 | -0.007 | -0.099 | 47.341 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 250 | GLY | 0 | 0.013 | -0.012 | 46.889 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 251 | LEU | 0 | 0.146 | 0.019 | 48.522 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 251 | LEU | 0 | -0.080 | 0.121 | 49.515 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 252 | LEU | 0 | 0.026 | -0.122 | 45.764 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 252 | LEU | 0 | -0.070 | 0.097 | 44.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 253 | ALA | 0 | 0.141 | -0.055 | 43.588 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 253 | ALA | 0 | -0.062 | 0.094 | 44.139 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 254 | ALA | 0 | 0.110 | -0.059 | 44.287 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 254 | ALA | 0 | -0.058 | 0.093 | 48.453 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 255 | ALA | 0 | 0.110 | -0.113 | 46.170 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 255 | ALA | 0 | -0.090 | 0.106 | 46.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 256 | MET | 0 | 0.096 | -0.099 | 42.113 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 256 | MET | 0 | -0.088 | 0.112 | 40.033 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 257 | SER | 0 | -0.031 | -0.100 | 41.589 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 257 | SER | 0 | -0.014 | 0.058 | 42.987 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 258 | ARG | 0 | 0.117 | -0.038 | 42.513 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 258 | ARG | 1 | 0.748 | 1.006 | 46.552 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 259 | GLU | 0 | 0.087 | -0.110 | 43.586 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 259 | GLU | -1 | -0.918 | -0.799 | 42.068 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 260 | ILE | 0 | 0.054 | -0.111 | 39.211 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 260 | ILE | 0 | -0.123 | 0.083 | 37.322 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 261 | ALA | 0 | 0.157 | -0.071 | 39.769 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 261 | ALA | 0 | -0.060 | 0.116 | 41.806 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 262 | ARG | 0 | 0.007 | -0.098 | 41.373 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 262 | ARG | 1 | 0.729 | 0.978 | 44.874 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 263 | GLY | 0 | -0.074 | -0.130 | 40.648 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 264 | GLU | 0 | 0.066 | -0.009 | 36.899 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 264 | GLU | -1 | -0.811 | -0.741 | 34.433 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 265 | GLU | 0 | 0.094 | -0.116 | 37.282 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 491 | A | 265 | GLU | -1 | -1.041 | -0.858 | 37.402 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 266 | ILE | 0 | -0.002 | -0.118 | 34.843 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 493 | A | 266 | ILE | 0 | -0.072 | 0.100 | 32.717 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 494 | A | 267 | THR | 0 | 0.049 | -0.082 | 35.500 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 495 | A | 267 | THR | 0 | -0.066 | 0.034 | 35.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 268 | LEU | 0 | 0.107 | -0.077 | 35.853 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 268 | LEU | 0 | -0.105 | 0.131 | 37.829 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 269 | THR | 0 | -0.060 | -0.142 | 35.146 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 269 | THR | 0 | 0.034 | 0.095 | 33.981 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 270 | ALA | 0 | 0.120 | -0.077 | 35.809 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 270 | ALA | 0 | -0.058 | 0.099 | 37.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 271 | TRP | 0 | 0.026 | -0.112 | 33.145 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 271 | TRP | 0 | -0.090 | 0.129 | 29.513 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 272 | ILE | 0 | 0.054 | -0.094 | 34.606 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 272 | ILE | 0 | -0.079 | 0.099 | 38.405 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 273 | VAL | 0 | 0.156 | -0.081 | 36.473 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 273 | VAL | 0 | -0.098 | 0.093 | 35.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 274 | ALA | 0 | 0.114 | -0.105 | 37.411 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 274 | ALA | 0 | -0.047 | 0.111 | 37.923 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 275 | THR | 0 | 0.024 | -0.084 | 39.309 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 275 | THR | 0 | -0.011 | 0.076 | 40.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 276 | ASN | 0 | 0.134 | -0.045 | 41.139 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 276 | ASN | 0 | -0.108 | 0.103 | 40.487 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 277 | TRP | 0 | 0.121 | -0.114 | 42.643 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 277 | TRP | 0 | -0.039 | 0.110 | 46.378 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 278 | ARG | 0 | 0.093 | -0.085 | 45.647 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 278 | ARG | 1 | 0.835 | 1.073 | 46.769 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 279 | SER | 0 | 0.057 | -0.102 | 42.869 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 279 | SER | 0 | -0.025 | 0.062 | 42.268 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 280 | GLU | 0 | 0.110 | -0.072 | 43.105 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 280 | GLU | -1 | -0.817 | -0.790 | 42.678 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 281 | ALA | 0 | 0.037 | -0.092 | 43.908 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 281 | ALA | 0 | -0.109 | 0.088 | 48.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 282 | LEU | 0 | 0.066 | -0.080 | 47.102 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 282 | LEU | 0 | -0.102 | 0.074 | 44.819 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 283 | LEU | 0 | 0.071 | -0.112 | 43.363 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 283 | LEU | 0 | -0.073 | 0.093 | 40.681 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 284 | LYS | 0 | 0.125 | -0.076 | 44.830 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 284 | LYS | 1 | 0.792 | 1.011 | 45.116 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 285 | ARG | 0 | 0.073 | -0.067 | 46.571 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 285 | ARG | 1 | 0.814 | 1.037 | 50.027 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 286 | ILE | 0 | 0.032 | -0.108 | 47.078 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 286 | ILE | 0 | -0.114 | 0.090 | 45.871 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 287 | GLY | 0 | -0.001 | -0.103 | 46.912 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 288 | TYR | 0 | 0.041 | 0.007 | 42.573 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 288 | TYR | 0 | -0.131 | 0.053 | 39.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 289 | GLN | 0 | 0.093 | -0.101 | 41.887 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 289 | GLN | 0 | -0.030 | 0.133 | 40.991 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 290 | LYS | 0 | 0.187 | -0.083 | 39.626 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 290 | LYS | 1 | 0.650 | 0.980 | 39.616 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 291 | ASP | 0 | -0.014 | -0.106 | 38.115 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 291 | ASP | -1 | -0.933 | -0.833 | 36.651 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 292 | LEU | 0 | 0.132 | -0.117 | 33.840 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 292 | LEU | 0 | -0.060 | 0.126 | 30.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 293 | VAL | 0 | 0.064 | -0.094 | 33.881 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 293 | VAL | 0 | -0.076 | 0.103 | 34.368 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 294 | ASN | 0 | 0.059 | -0.080 | 29.933 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 294 | ASN | 0 | -0.066 | 0.073 | 28.693 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 295 | GLU | 0 | 0.071 | -0.134 | 29.032 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 295 | GLU | -1 | -0.812 | -0.749 | 28.795 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 296 | TRP | 0 | 0.037 | -0.069 | 27.407 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 296 | TRP | 0 | -0.086 | 0.088 | 27.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 297 | ILE | 0 | 0.061 | -0.110 | 26.230 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 554 | A | 297 | ILE | 0 | -0.096 | 0.092 | 25.264 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 555 | A | 298 | LYS | 0 | 0.166 | -0.080 | 25.147 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 556 | A | 298 | LYS | 1 | 0.781 | 1.032 | 25.295 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
| 557 | A | 299 | LEU | 0 | 0.021 | -0.136 | 23.877 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 558 | A | 299 | LEU | 0 | -0.045 | 0.129 | 21.448 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 559 | A | 300 | VAL | 0 | 0.025 | -0.094 | 25.353 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 560 | A | 300 | VAL | 0 | -0.084 | 0.105 | 28.466 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 561 | A | 301 | PRO | 0 | -0.012 | -0.127 | 24.459 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 562 | A | 302 | ASN | 0 | 0.138 | 0.087 | 24.134 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 563 | A | 302 | ASN | 0 | -0.125 | 0.058 | 22.660 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 564 | A | 303 | SER | 0 | -0.017 | -0.126 | 25.571 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 565 | A | 303 | SER | 0 | 0.032 | 0.032 | 28.172 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |