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: ZN1KN
Calculation Name: 3OOC-A-Xray540
Preferred Name:
Target Type:
Ligand Name:
Ligand 3-letter code:
Ligand of Interest (LOI):
Structure Source: PDB
PDB ID: 3OOC
Chain ID: A
UniProt ID: P77239
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 | 558 |
| LigandResidueName | |
| LigandFragmentNumber | 0 |
| LigandCharge | |
| Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
| FMO2-HF: Electronic energy | -3192845.063287 |
|---|---|
| FMO2-HF: Nuclear repulsion | 3081177.523895 |
| FMO2-HF: Total energy | -111667.539392 |
| FMO2-MP2: Total energy | -111996.746092 |
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:89:THR)
Summations of interaction energy for
fragment #1(A:89:THR)
| 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. |
| -4.405 | 0.574 | 2.875 | -2.767 | -5.091 | -0.003 |
Interaction energy analysis for fragmet #1(A:89:THR)
| 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 | 90 | GLN | 0 | -0.064 | 0.106 | 3.400 | -0.032 | 0.713 | 0.005 | -0.232 | -0.518 | 0.000 |
| 5 | A | 91 | ASN | 0 | 0.153 | -0.068 | 3.813 | -1.969 | 0.610 | -0.026 | -1.520 | -1.033 | 0.003 |
| 6 | A | 91 | ASN | 0 | -0.115 | 0.058 | 5.079 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 7 | A | 92 | LEU | 0 | 0.089 | -0.093 | 5.842 | -0.419 | -0.419 | 0.000 | 0.000 | 0.000 | 0.000 |
| 8 | A | 92 | LEU | 0 | -0.064 | 0.121 | 9.483 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 9 | A | 93 | GLY | 0 | -0.005 | -0.107 | 8.931 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
| 10 | A | 94 | VAL | 0 | 0.036 | -0.020 | 8.871 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
| 11 | A | 94 | VAL | 0 | -0.087 | 0.130 | 6.751 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
| 12 | A | 95 | LYS | 0 | 0.131 | -0.065 | 10.188 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
| 13 | A | 95 | LYS | 1 | 0.873 | 1.058 | 14.412 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
| 14 | A | 96 | THR | 0 | -0.057 | -0.127 | 11.901 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 15 | A | 96 | THR | 0 | -0.035 | 0.074 | 12.325 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 16 | A | 97 | ALA | 0 | 0.073 | -0.105 | 14.031 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
| 17 | A | 97 | ALA | 0 | -0.037 | 0.115 | 17.247 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 18 | A | 98 | THR | 0 | 0.020 | -0.088 | 16.138 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
| 19 | A | 98 | THR | 0 | -0.031 | 0.079 | 18.270 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 20 | A | 99 | VAL | 0 | 0.120 | -0.093 | 18.369 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
| 21 | A | 99 | VAL | 0 | -0.080 | 0.100 | 17.744 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 22 | A | 100 | THR | 0 | -0.057 | -0.091 | 20.184 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 23 | A | 100 | THR | 0 | -0.058 | 0.079 | 22.627 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 24 | A | 101 | ARG | 0 | 0.132 | -0.084 | 23.878 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 25 | A | 101 | ARG | 1 | 0.800 | 1.037 | 26.843 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
| 26 | A | 102 | GLY | 0 | -0.029 | -0.121 | 26.928 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 27 | A | 103 | PRO | 0 | 0.007 | 0.011 | 29.592 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 28 | A | 104 | LEU | 0 | 0.027 | -0.031 | 30.531 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 29 | A | 104 | LEU | 0 | -0.036 | 0.123 | 27.795 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 30 | A | 105 | THR | 0 | 0.012 | -0.090 | 31.363 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 31 | A | 105 | THR | 0 | -0.068 | 0.069 | 32.673 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 32 | A | 106 | PHE | 0 | 0.069 | -0.081 | 33.318 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 33 | A | 106 | PHE | 0 | -0.113 | 0.077 | 32.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 34 | A | 107 | ALA | 0 | 0.188 | -0.078 | 35.594 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 35 | A | 107 | ALA | 0 | -0.074 | 0.120 | 36.372 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 36 | A | 108 | GLN | 0 | 0.063 | -0.078 | 37.572 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 37 | A | 108 | GLN | 0 | -0.106 | 0.066 | 40.690 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 38 | A | 109 | SER | 0 | 0.027 | -0.114 | 40.714 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 39 | A | 109 | SER | 0 | -0.041 | 0.068 | 42.268 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 40 | A | 110 | PHE | 0 | -0.001 | -0.106 | 43.776 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 41 | A | 110 | PHE | 0 | -0.055 | 0.098 | 44.427 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 42 | A | 111 | PRO | 0 | 0.010 | -0.083 | 47.512 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 43 | A | 112 | ALA | 0 | 0.145 | 0.016 | 50.771 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 44 | A | 112 | ALA | 0 | -0.112 | 0.087 | 51.245 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 45 | A | 113 | ASN | 0 | 0.086 | -0.087 | 52.922 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 46 | A | 113 | ASN | 0 | -0.097 | 0.080 | 57.111 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 47 | A | 114 | VAL | 0 | 0.158 | -0.068 | 56.628 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 48 | A | 114 | VAL | 0 | -0.108 | 0.094 | 56.069 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 49 | A | 115 | SER | 0 | 0.057 | -0.104 | 58.091 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 50 | A | 115 | SER | 0 | -0.004 | 0.102 | 60.737 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 51 | A | 116 | TYR | 0 | 0.024 | -0.105 | 61.246 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 52 | A | 116 | TYR | 0 | -0.034 | 0.101 | 64.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 53 | A | 117 | ASN | 0 | 0.157 | -0.026 | 63.184 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 54 | A | 117 | ASN | 0 | -0.083 | 0.080 | 62.142 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 55 | A | 118 | GLU | 0 | 0.046 | -0.159 | 63.994 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 56 | A | 118 | GLU | -1 | -0.916 | -0.823 | 64.707 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 57 | A | 119 | TYR | 0 | 0.048 | -0.089 | 66.031 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 58 | A | 119 | TYR | 0 | -0.062 | 0.084 | 63.304 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 59 | A | 120 | GLN | 0 | 0.047 | -0.095 | 66.413 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 60 | A | 120 | GLN | 0 | -0.064 | 0.122 | 65.379 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 61 | A | 121 | TYR | 0 | 0.093 | -0.037 | 67.664 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 62 | A | 121 | TYR | 0 | -0.155 | 0.012 | 70.242 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 63 | A | 122 | ALA | 0 | 0.159 | -0.109 | 70.982 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 64 | A | 122 | ALA | 0 | -0.087 | 0.104 | 73.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 65 | A | 123 | ILE | 0 | 0.049 | -0.108 | 74.651 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 66 | A | 123 | ILE | 0 | -0.090 | 0.104 | 76.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 67 | A | 124 | VAL | 0 | 0.019 | -0.093 | 77.770 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 68 | A | 124 | VAL | 0 | -0.058 | 0.104 | 79.202 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 69 | A | 125 | GLN | 0 | 0.107 | -0.091 | 81.054 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 70 | A | 125 | GLN | 0 | -0.099 | 0.096 | 81.545 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 71 | A | 126 | ALA | 0 | 0.100 | -0.107 | 83.491 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 72 | A | 126 | ALA | 0 | -0.087 | 0.102 | 87.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 73 | A | 127 | ARG | 0 | 0.070 | -0.084 | 87.214 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 74 | A | 127 | ARG | 1 | 0.789 | 1.004 | 82.803 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 75 | A | 128 | ALA | 0 | 0.122 | -0.052 | 89.411 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 76 | A | 128 | ALA | 0 | -0.083 | 0.089 | 93.721 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 77 | A | 129 | ALA | 0 | 0.044 | -0.125 | 91.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 78 | A | 129 | ALA | 0 | -0.058 | 0.100 | 94.554 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 79 | A | 130 | GLY | 0 | -0.015 | -0.122 | 94.005 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 80 | A | 131 | PHE | 0 | 0.040 | -0.015 | 94.503 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 81 | A | 131 | PHE | 0 | -0.048 | 0.116 | 96.452 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 82 | A | 132 | ILE | 0 | 0.098 | -0.058 | 91.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 83 | A | 132 | ILE | 0 | -0.127 | 0.079 | 88.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 84 | A | 133 | ASP | 0 | 0.154 | -0.079 | 92.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 85 | A | 133 | ASP | -1 | -0.973 | -0.859 | 93.960 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 86 | A | 134 | LYS | 0 | 0.136 | -0.067 | 91.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 87 | A | 134 | LYS | 1 | 0.742 | 1.013 | 89.783 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 88 | A | 135 | VAL | 0 | 0.011 | -0.118 | 87.561 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 89 | A | 135 | VAL | 0 | -0.057 | 0.130 | 86.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 90 | A | 136 | TYR | 0 | 0.038 | -0.077 | 85.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 91 | A | 136 | TYR | 0 | -0.176 | -0.006 | 85.061 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 92 | A | 137 | PRO | 0 | 0.017 | -0.115 | 82.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 93 | A | 138 | LEU | 0 | 0.020 | -0.007 | 80.353 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 94 | A | 138 | LEU | 0 | -0.074 | 0.092 | 79.091 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 95 | A | 139 | THR | 0 | 0.034 | -0.097 | 79.183 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 96 | A | 139 | THR | 0 | -0.070 | 0.047 | 78.039 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 97 | A | 140 | VAL | 0 | -0.047 | -0.097 | 77.585 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 98 | A | 140 | VAL | 0 | -0.091 | 0.093 | 76.368 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 99 | A | 141 | GLY | 0 | 0.066 | -0.094 | 73.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 100 | A | 142 | ASP | 0 | 0.015 | 0.015 | 73.496 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 101 | A | 142 | ASP | -1 | -0.815 | -0.786 | 76.073 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 102 | A | 143 | LYS | 0 | 0.134 | -0.073 | 72.477 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 103 | A | 143 | LYS | 1 | 0.756 | 0.993 | 67.694 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 104 | A | 144 | VAL | 0 | -0.026 | -0.115 | 73.505 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 105 | A | 144 | VAL | 0 | -0.052 | 0.099 | 75.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 106 | A | 145 | GLN | 0 | 0.073 | -0.112 | 73.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 107 | A | 145 | GLN | 0 | -0.094 | 0.077 | 73.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 108 | A | 146 | LYS | 0 | 0.171 | -0.043 | 75.469 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 109 | A | 146 | LYS | 1 | 0.847 | 1.065 | 76.836 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 110 | A | 147 | GLY | 0 | 0.018 | -0.108 | 77.377 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 111 | A | 148 | THR | 0 | -0.009 | 0.034 | 79.462 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 112 | A | 148 | THR | 0 | -0.026 | 0.083 | 80.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 113 | A | 149 | PRO | 0 | 0.005 | -0.108 | 81.298 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 114 | A | 150 | LEU | 0 | 0.128 | 0.049 | 83.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 115 | A | 150 | LEU | 0 | -0.118 | 0.099 | 80.172 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 116 | A | 151 | LEU | 0 | 0.116 | -0.127 | 84.267 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 117 | A | 151 | LEU | 0 | -0.025 | 0.118 | 85.178 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 118 | A | 152 | ASP | 0 | 0.040 | -0.065 | 87.772 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 119 | A | 152 | ASP | -1 | -0.790 | -0.790 | 90.573 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 120 | A | 153 | LEU | 0 | 0.110 | -0.059 | 91.161 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 121 | A | 153 | LEU | 0 | -0.070 | 0.101 | 89.149 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 122 | A | 154 | THR | 0 | 0.011 | -0.103 | 93.216 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 123 | A | 154 | THR | 0 | -0.022 | 0.076 | 96.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 124 | A | 155 | ILE | 0 | 0.063 | -0.111 | 96.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 125 | A | 155 | ILE | 0 | -0.102 | 0.116 | 93.708 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 126 | A | 156 | PRO | 0 | 0.017 | -0.108 | 98.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 127 | A | 157 | ASP | 0 | 0.103 | -0.010 | 100.667 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 128 | A | 157 | ASP | -1 | -0.916 | -0.830 | 99.771 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 129 | A | 158 | TRP | 0 | 0.065 | -0.079 | 99.061 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 130 | A | 158 | TRP | 0 | -0.080 | 0.090 | 92.564 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 131 | A | 159 | VAL | 0 | 0.049 | -0.119 | 100.412 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 132 | A | 159 | VAL | 0 | -0.063 | 0.106 | 101.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 133 | A | 160 | GLU | 0 | 0.068 | -0.091 | 102.961 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 134 | A | 160 | GLU | -1 | -0.987 | -0.847 | 104.715 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 135 | A | 161 | ALA | 0 | 0.211 | -0.033 | 103.197 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 136 | A | 161 | ALA | 0 | -0.088 | 0.093 | 102.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 137 | A | 162 | GLN | 0 | 0.068 | -0.123 | 103.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 138 | A | 162 | GLN | 0 | -0.069 | 0.071 | 100.187 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 139 | A | 163 | SER | 0 | 0.011 | -0.058 | 104.268 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 140 | A | 163 | SER | 0 | -0.085 | 0.038 | 107.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 141 | A | 164 | GLU | 0 | 0.057 | -0.111 | 107.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 142 | A | 164 | GLU | -1 | -0.947 | -0.842 | 107.586 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 143 | A | 165 | TYR | 0 | 0.121 | -0.069 | 106.015 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 144 | A | 165 | TYR | 0 | -0.104 | 0.056 | 104.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 145 | A | 166 | LEU | 0 | -0.002 | -0.138 | 107.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 146 | A | 166 | LEU | 0 | -0.053 | 0.080 | 105.811 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 147 | A | 167 | LEU | 0 | 0.073 | -0.050 | 108.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 148 | A | 167 | LEU | 0 | -0.076 | 0.090 | 112.551 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 149 | A | 168 | LEU | 0 | 0.045 | -0.072 | 110.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 150 | A | 168 | LEU | 0 | -0.077 | 0.076 | 109.279 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 151 | A | 169 | ARG | 0 | 0.126 | -0.070 | 109.794 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 152 | A | 169 | ARG | 1 | 0.738 | 0.998 | 105.254 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 153 | A | 170 | GLU | 0 | 0.089 | -0.092 | 110.949 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 154 | A | 170 | GLU | -1 | -1.010 | -0.863 | 112.452 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 155 | A | 171 | THR | 0 | -0.023 | -0.043 | 114.158 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 156 | A | 171 | THR | 0 | -0.151 | -0.034 | 114.934 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 157 | A | 172 | GLY | 0 | 0.038 | -0.089 | 115.440 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 158 | A | 173 | GLY | 0 | 0.026 | 0.006 | 112.304 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 159 | A | 174 | THR | 0 | -0.029 | 0.025 | 111.670 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 160 | A | 174 | THR | 0 | -0.039 | 0.041 | 110.376 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 161 | A | 175 | ALA | 0 | 0.254 | -0.059 | 108.695 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 162 | A | 175 | ALA | 0 | -0.080 | 0.112 | 107.930 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 163 | A | 176 | THR | 0 | -0.028 | -0.093 | 105.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 164 | A | 176 | THR | 0 | -0.025 | 0.058 | 105.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 165 | A | 177 | GLN | 0 | 0.124 | -0.061 | 105.395 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 166 | A | 177 | GLN | 0 | -0.071 | 0.100 | 107.457 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 167 | A | 178 | THR | 0 | 0.052 | -0.079 | 106.344 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 168 | A | 178 | THR | 0 | -0.037 | 0.093 | 105.986 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 169 | A | 179 | GLU | 0 | 0.071 | -0.120 | 102.595 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 170 | A | 179 | GLU | -1 | -0.902 | -0.784 | 99.263 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 171 | A | 180 | GLY | 0 | 0.013 | -0.096 | 101.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 172 | A | 181 | ILE | 0 | -0.006 | -0.023 | 102.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 173 | A | 181 | ILE | 0 | -0.083 | 0.116 | 103.216 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 174 | A | 182 | LEU | 0 | 0.126 | -0.109 | 100.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 175 | A | 182 | LEU | 0 | -0.115 | 0.103 | 99.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 176 | A | 183 | GLU | 0 | 0.035 | -0.148 | 97.577 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 177 | A | 183 | GLU | -1 | -0.984 | -0.841 | 95.472 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 178 | A | 184 | ARG | 0 | 0.080 | -0.104 | 97.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 179 | A | 184 | ARG | 1 | 0.894 | 1.064 | 100.495 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 180 | A | 185 | LEU | 0 | 0.120 | -0.097 | 98.271 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 181 | A | 185 | LEU | 0 | -0.114 | 0.117 | 98.142 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 182 | A | 186 | ARG | 0 | 0.060 | -0.121 | 94.613 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 183 | A | 186 | ARG | 1 | 0.744 | 0.974 | 93.615 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 184 | A | 187 | LEU | 0 | 0.067 | -0.072 | 92.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 185 | A | 187 | LEU | 0 | -0.054 | 0.106 | 93.530 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 186 | A | 188 | ALA | 0 | 0.017 | -0.121 | 93.166 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 187 | A | 188 | ALA | 0 | -0.067 | 0.109 | 96.769 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 188 | A | 189 | GLY | 0 | -0.047 | -0.132 | 91.646 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 189 | A | 190 | MET | 0 | 0.011 | -0.028 | 91.629 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 190 | A | 190 | MET | 0 | -0.106 | 0.113 | 95.093 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 191 | A | 191 | PRO | 0 | 0.024 | -0.087 | 89.908 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 192 | A | 192 | GLU | 0 | 0.190 | 0.051 | 90.508 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 193 | A | 192 | GLU | -1 | -0.933 | -0.804 | 90.196 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 194 | A | 193 | ALA | 0 | 0.066 | -0.106 | 91.132 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 195 | A | 193 | ALA | 0 | -0.083 | 0.089 | 90.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 196 | A | 194 | ASP | 0 | 0.070 | -0.099 | 92.660 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 197 | A | 194 | ASP | -1 | -0.865 | -0.800 | 92.978 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 198 | A | 195 | ILE | 0 | 0.112 | -0.088 | 94.881 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 199 | A | 195 | ILE | 0 | -0.052 | 0.125 | 95.661 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 200 | A | 196 | ARG | 0 | 0.065 | -0.114 | 95.699 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 201 | A | 196 | ARG | 1 | 0.806 | 1.021 | 90.504 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 202 | A | 197 | ARG | 0 | 0.079 | -0.100 | 97.057 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 203 | A | 197 | ARG | 1 | 0.769 | 1.008 | 92.654 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 204 | A | 198 | LEU | 0 | 0.120 | -0.082 | 98.338 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 205 | A | 198 | LEU | 0 | -0.101 | 0.110 | 100.379 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 206 | A | 199 | ILE | 0 | 0.050 | -0.096 | 100.853 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 207 | A | 199 | ILE | 0 | -0.061 | 0.097 | 99.092 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 208 | A | 200 | ALA | 0 | 0.057 | -0.100 | 100.505 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 209 | A | 200 | ALA | 0 | -0.105 | 0.094 | 99.796 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 210 | A | 201 | THR | 0 | -0.066 | -0.102 | 101.865 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 211 | A | 201 | THR | 0 | -0.061 | 0.044 | 101.390 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 212 | A | 202 | GLN | 0 | 0.111 | -0.063 | 103.920 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 213 | A | 202 | GLN | 0 | -0.093 | 0.104 | 107.079 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 214 | A | 203 | LYS | 0 | 0.150 | -0.099 | 103.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 215 | A | 203 | LYS | 1 | 0.762 | 1.035 | 101.930 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 216 | A | 204 | ILE | 0 | 0.096 | -0.117 | 102.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 217 | A | 204 | ILE | 0 | -0.101 | 0.137 | 103.275 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 218 | A | 205 | GLN | 0 | 0.116 | -0.107 | 98.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 219 | A | 205 | GLN | 0 | -0.140 | 0.104 | 96.685 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 220 | A | 206 | THR | 0 | 0.061 | -0.085 | 99.442 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 221 | A | 206 | THR | 0 | -0.032 | 0.055 | 99.918 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 222 | A | 207 | ARG | 0 | 0.103 | -0.060 | 96.221 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 223 | A | 207 | ARG | 1 | 0.755 | 0.983 | 93.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 224 | A | 208 | PHE | 0 | -0.012 | -0.106 | 92.606 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 225 | A | 208 | PHE | 0 | -0.035 | 0.106 | 91.934 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 226 | A | 209 | THR | 0 | 0.081 | -0.079 | 89.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 227 | A | 209 | THR | 0 | -0.095 | 0.012 | 89.140 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 228 | A | 210 | LEU | 0 | 0.056 | -0.055 | 86.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 229 | A | 210 | LEU | 0 | -0.071 | 0.110 | 85.421 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 230 | A | 211 | LYS | 0 | 0.124 | -0.090 | 83.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 231 | A | 211 | LYS | 1 | 0.782 | 1.017 | 82.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 232 | A | 212 | ALA | 0 | 0.034 | -0.132 | 79.419 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 233 | A | 212 | ALA | 0 | -0.022 | 0.090 | 78.627 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 234 | A | 213 | PRO | 0 | -0.031 | -0.109 | 76.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 235 | A | 214 | ILE | 0 | 0.027 | 0.009 | 73.500 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 236 | A | 214 | ILE | 0 | -0.037 | 0.103 | 71.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 237 | A | 215 | ASP | 0 | 0.052 | -0.135 | 72.031 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 238 | A | 215 | ASP | -1 | -0.892 | -0.802 | 71.127 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 239 | A | 216 | GLY | 0 | -0.008 | -0.122 | 70.416 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 240 | A | 217 | VAL | 0 | 0.051 | -0.025 | 70.581 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 241 | A | 217 | VAL | 0 | -0.073 | 0.107 | 68.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 242 | A | 218 | ILE | 0 | 0.056 | -0.108 | 71.915 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 243 | A | 218 | ILE | 0 | -0.091 | 0.125 | 75.534 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 244 | A | 219 | THR | 0 | 0.015 | -0.060 | 73.049 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 245 | A | 219 | THR | 0 | -0.083 | 0.033 | 70.942 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 246 | A | 220 | ALA | 0 | 0.217 | -0.054 | 74.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 247 | A | 220 | ALA | 0 | -0.112 | 0.093 | 76.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 248 | A | 221 | PHE | 0 | 0.027 | -0.128 | 77.555 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 249 | A | 221 | PHE | 0 | -0.034 | 0.068 | 79.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 250 | A | 222 | ASP | 0 | 0.107 | -0.016 | 80.692 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 251 | A | 222 | ASP | -1 | -0.922 | -0.831 | 81.666 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 252 | A | 223 | LEU | 0 | 0.061 | -0.117 | 82.901 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 253 | A | 223 | LEU | 0 | -0.071 | 0.080 | 84.740 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 254 | A | 224 | ARG | 0 | 0.057 | -0.083 | 86.399 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 255 | A | 224 | ARG | 1 | 0.794 | 0.981 | 85.263 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 256 | A | 225 | ALA | 0 | 0.093 | -0.113 | 88.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 257 | A | 225 | ALA | 0 | -0.100 | 0.105 | 92.402 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 258 | A | 226 | GLY | 0 | 0.018 | -0.086 | 92.555 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 259 | A | 227 | MET | 0 | 0.059 | 0.015 | 91.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 260 | A | 227 | MET | 0 | -0.113 | 0.088 | 89.303 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 261 | A | 228 | ASN | 0 | 0.151 | -0.064 | 93.185 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 262 | A | 228 | ASN | 0 | -0.122 | 0.070 | 94.269 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 263 | A | 229 | ILE | 0 | 0.000 | -0.116 | 90.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 264 | A | 229 | ILE | 0 | -0.067 | 0.112 | 88.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 265 | A | 230 | ALA | 0 | 0.178 | -0.058 | 89.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 266 | A | 230 | ALA | 0 | -0.112 | 0.043 | 90.880 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 267 | A | 231 | LYS | 0 | 0.130 | 0.027 | 89.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 268 | A | 231 | LYS | 1 | 0.805 | 0.989 | 85.782 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 269 | A | 232 | ASP | 0 | 0.129 | -0.075 | 86.082 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 270 | A | 232 | ASP | -1 | -0.952 | -0.834 | 85.300 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 271 | A | 233 | ASN | 0 | 0.107 | -0.087 | 84.818 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 272 | A | 233 | ASN | 0 | -0.132 | 0.053 | 86.631 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 273 | A | 234 | VAL | 0 | 0.166 | -0.081 | 81.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 274 | A | 234 | VAL | 0 | -0.119 | 0.105 | 79.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 275 | A | 235 | VAL | 0 | 0.007 | -0.108 | 82.974 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 276 | A | 235 | VAL | 0 | -0.038 | 0.107 | 83.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 277 | A | 236 | ALA | 0 | 0.133 | -0.111 | 80.215 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 278 | A | 236 | ALA | 0 | -0.044 | 0.083 | 79.905 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 279 | A | 237 | LYS | 0 | 0.027 | -0.051 | 76.285 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 280 | A | 237 | LYS | 1 | 0.796 | 1.012 | 71.387 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 281 | A | 238 | ILE | 0 | 0.006 | -0.108 | 73.956 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 282 | A | 238 | ILE | 0 | -0.074 | 0.122 | 72.539 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 283 | A | 239 | GLN | 0 | 0.104 | -0.114 | 69.420 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 284 | A | 239 | GLN | 0 | -0.082 | 0.100 | 67.644 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 285 | A | 240 | GLY | 0 | 0.058 | -0.083 | 67.627 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 286 | A | 241 | MET | 0 | 0.002 | -0.011 | 63.920 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 287 | A | 241 | MET | 0 | -0.073 | 0.072 | 63.401 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 288 | A | 242 | ASP | 0 | 0.193 | -0.009 | 62.172 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 289 | A | 242 | ASP | -1 | -0.995 | -0.869 | 62.522 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 290 | A | 243 | PRO | 0 | -0.075 | -0.135 | 59.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 291 | A | 244 | VAL | 0 | 0.110 | 0.025 | 58.748 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 292 | A | 244 | VAL | 0 | -0.086 | 0.098 | 57.928 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 293 | A | 245 | TRP | 0 | 0.020 | -0.091 | 57.818 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 294 | A | 245 | TRP | 0 | -0.228 | 0.032 | 58.766 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 295 | A | 246 | VAL | 0 | 0.216 | -0.065 | 54.263 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 296 | A | 246 | VAL | 0 | -0.102 | 0.091 | 52.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 297 | A | 247 | THR | 0 | -0.065 | -0.117 | 54.885 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 298 | A | 247 | THR | 0 | -0.041 | 0.081 | 55.930 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 299 | A | 248 | ALA | 0 | 0.149 | -0.064 | 50.897 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 300 | A | 248 | ALA | 0 | -0.065 | 0.087 | 50.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 301 | A | 249 | ALA | 0 | 0.103 | -0.089 | 51.989 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 302 | A | 249 | ALA | 0 | -0.080 | 0.109 | 52.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 303 | A | 250 | ILE | 0 | 0.029 | -0.138 | 49.040 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 304 | A | 250 | ILE | 0 | -0.079 | 0.121 | 47.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 305 | A | 251 | PRO | 0 | 0.010 | -0.092 | 46.425 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 306 | A | 252 | GLU | 0 | 0.140 | -0.005 | 48.560 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 307 | A | 252 | GLU | -1 | -0.882 | -0.788 | 50.852 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
| 308 | A | 253 | SER | 0 | -0.007 | -0.092 | 46.696 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 309 | A | 253 | SER | 0 | -0.038 | 0.059 | 45.757 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 310 | A | 254 | ILE | 0 | 0.047 | -0.097 | 44.406 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 311 | A | 254 | ILE | 0 | -0.051 | 0.103 | 42.560 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 312 | A | 255 | ALA | 0 | 0.140 | -0.068 | 45.220 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 313 | A | 255 | ALA | 0 | -0.074 | 0.112 | 49.600 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 314 | A | 256 | TRP | 0 | 0.049 | -0.109 | 47.556 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 315 | A | 256 | TRP | 0 | -0.069 | 0.104 | 42.138 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 316 | A | 257 | LEU | 0 | -0.061 | -0.177 | 42.960 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 317 | A | 257 | LEU | 0 | -0.021 | 0.118 | 41.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 318 | A | 258 | VAL | 0 | 0.123 | -0.016 | 43.156 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 319 | A | 258 | VAL | 0 | -0.136 | 0.060 | 46.104 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 320 | A | 259 | LYS | 0 | 0.033 | -0.104 | 44.178 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 321 | A | 259 | LYS | 1 | 0.807 | 0.999 | 43.460 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 322 | A | 260 | ASP | 0 | 0.109 | -0.090 | 44.556 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 323 | A | 260 | ASP | -1 | -0.901 | -0.797 | 43.166 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
| 324 | A | 261 | ALA | 0 | 0.100 | -0.077 | 44.660 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 325 | A | 261 | ALA | 0 | -0.077 | 0.062 | 47.937 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 326 | A | 262 | SER | 0 | 0.042 | -0.100 | 42.676 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 327 | A | 262 | SER | 0 | -0.061 | 0.048 | 41.969 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 328 | A | 263 | GLN | 0 | 0.020 | -0.103 | 40.831 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 329 | A | 263 | GLN | 0 | -0.105 | 0.099 | 40.881 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 330 | A | 264 | PHE | 0 | 0.068 | -0.113 | 41.780 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 331 | A | 264 | PHE | 0 | -0.040 | 0.112 | 45.116 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 332 | A | 265 | THR | 0 | 0.065 | -0.053 | 42.911 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 333 | A | 265 | THR | 0 | -0.053 | 0.062 | 41.781 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 334 | A | 266 | LEU | 0 | 0.089 | -0.109 | 44.352 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 335 | A | 266 | LEU | 0 | -0.119 | 0.101 | 48.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 336 | A | 267 | THR | 0 | 0.043 | -0.048 | 46.505 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 337 | A | 267 | THR | 0 | -0.051 | 0.053 | 45.170 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 338 | A | 268 | VAL | 0 | 0.022 | -0.144 | 47.871 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 339 | A | 268 | VAL | 0 | -0.033 | 0.153 | 51.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 340 | A | 269 | PRO | 0 | 0.019 | -0.101 | 50.100 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 341 | A | 270 | ALA | 0 | 0.139 | 0.013 | 51.168 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 342 | A | 270 | ALA | 0 | -0.092 | 0.101 | 55.813 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 343 | A | 271 | ARG | 0 | 0.046 | -0.101 | 54.275 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 344 | A | 271 | ARG | 1 | 0.740 | 1.003 | 53.879 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 345 | A | 272 | PRO | 0 | 0.011 | -0.106 | 48.697 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 346 | A | 273 | ASP | 0 | 0.055 | 0.001 | 50.521 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 347 | A | 273 | ASP | -1 | -0.833 | -0.781 | 51.939 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 348 | A | 274 | LYS | 0 | 0.136 | -0.036 | 49.067 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 349 | A | 274 | LYS | 1 | 0.823 | 1.026 | 49.027 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 350 | A | 275 | THR | 0 | -0.032 | -0.138 | 47.610 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 351 | A | 275 | THR | 0 | -0.018 | 0.055 | 46.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 352 | A | 276 | LEU | 0 | 0.067 | -0.041 | 48.875 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 353 | A | 276 | LEU | 0 | -0.078 | 0.110 | 49.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 354 | A | 277 | THR | 0 | 0.035 | -0.111 | 49.622 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 355 | A | 277 | THR | 0 | -0.012 | 0.095 | 49.351 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 356 | A | 278 | ILE | 0 | 0.076 | -0.108 | 49.593 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 357 | A | 278 | ILE | 0 | -0.083 | 0.104 | 47.542 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 358 | A | 279 | ARG | 0 | 0.094 | -0.087 | 50.995 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 359 | A | 279 | ARG | 1 | 0.771 | 1.027 | 54.895 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 360 | A | 280 | LYS | 0 | 0.044 | -0.175 | 53.517 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 361 | A | 280 | LYS | 1 | 0.841 | 1.089 | 53.301 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 362 | A | 281 | TRP | 0 | 0.045 | -0.067 | 51.573 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 363 | A | 281 | TRP | 0 | -0.022 | 0.111 | 49.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 364 | A | 282 | THR | 0 | 0.015 | -0.087 | 53.056 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 365 | A | 282 | THR | 0 | -0.084 | 0.051 | 56.276 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 366 | A | 283 | LEU | 0 | 0.187 | -0.047 | 53.113 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 367 | A | 283 | LEU | 0 | -0.104 | 0.100 | 50.535 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 368 | A | 284 | LEU | 0 | 0.053 | -0.111 | 54.335 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 369 | A | 284 | LEU | 0 | -0.080 | 0.093 | 57.619 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 370 | A | 285 | PRO | 0 | -0.004 | -0.104 | 56.671 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 371 | A | 286 | GLY | 0 | -0.021 | -0.010 | 57.740 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 372 | A | 287 | VAL | 0 | 0.078 | 0.004 | 56.855 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 373 | A | 287 | VAL | 0 | -0.092 | 0.079 | 55.492 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 374 | A | 288 | ASP | 0 | 0.125 | -0.093 | 57.235 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 375 | A | 288 | ASP | -1 | -0.961 | -0.815 | 56.997 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 376 | A | 289 | ALA | 0 | 0.104 | -0.070 | 57.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 377 | A | 289 | ALA | 0 | -0.084 | 0.073 | 61.347 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 378 | A | 290 | ALA | 0 | 0.066 | -0.106 | 58.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 379 | A | 290 | ALA | 0 | -0.101 | 0.104 | 59.305 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 380 | A | 291 | THR | 0 | -0.036 | -0.061 | 54.560 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 381 | A | 291 | THR | 0 | -0.059 | 0.032 | 52.591 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 382 | A | 292 | ARG | 0 | 0.202 | -0.067 | 53.274 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 383 | A | 292 | ARG | 1 | 0.751 | 1.035 | 52.198 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
| 384 | A | 293 | THR | 0 | -0.016 | -0.138 | 52.377 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 385 | A | 293 | THR | 0 | -0.024 | 0.081 | 51.132 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 386 | A | 294 | LEU | 0 | 0.145 | -0.049 | 52.578 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 387 | A | 294 | LEU | 0 | -0.090 | 0.090 | 51.986 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 388 | A | 295 | GLN | 0 | 0.129 | -0.063 | 53.272 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 389 | A | 295 | GLN | 0 | -0.120 | 0.064 | 56.456 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 390 | A | 296 | LEU | 0 | 0.035 | -0.121 | 51.806 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 391 | A | 296 | LEU | 0 | -0.132 | 0.092 | 49.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 392 | A | 297 | ARG | 0 | 0.218 | -0.054 | 53.335 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 393 | A | 297 | ARG | 1 | 0.782 | 1.047 | 57.172 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 394 | A | 298 | LEU | 0 | 0.039 | -0.147 | 52.907 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 395 | A | 298 | LEU | 0 | -0.134 | 0.091 | 50.247 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 396 | A | 299 | GLU | 0 | 0.157 | -0.093 | 54.137 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 397 | A | 299 | GLU | -1 | -0.956 | -0.810 | 56.519 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 398 | A | 300 | VAL | 0 | 0.024 | -0.137 | 54.318 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 399 | A | 300 | VAL | 0 | -0.094 | 0.092 | 52.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 400 | A | 301 | ASP | 0 | 0.174 | -0.060 | 54.669 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 401 | A | 301 | ASP | -1 | -0.959 | -0.839 | 54.943 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 402 | A | 302 | ASN | 0 | 0.110 | -0.041 | 56.098 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 403 | A | 302 | ASN | 0 | -0.210 | -0.013 | 58.182 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 404 | A | 303 | ALA | 0 | 0.180 | -0.072 | 58.681 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 405 | A | 303 | ALA | 0 | -0.107 | 0.083 | 59.099 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 406 | A | 304 | ASP | 0 | 0.032 | -0.095 | 58.873 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 407 | A | 304 | ASP | -1 | -0.960 | -0.866 | 58.115 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 408 | A | 305 | GLU | 0 | -0.026 | -0.136 | 60.230 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 409 | A | 305 | GLU | -1 | -0.866 | -0.786 | 63.464 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 410 | A | 306 | ALA | 0 | 0.075 | -0.093 | 58.296 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 411 | A | 306 | ALA | 0 | -0.053 | 0.116 | 57.607 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 412 | A | 307 | LEU | 0 | -0.015 | -0.145 | 58.328 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 413 | A | 307 | LEU | 0 | -0.043 | 0.129 | 55.308 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 414 | A | 308 | LYS | 0 | 0.097 | -0.113 | 59.405 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 415 | A | 308 | LYS | 1 | 0.872 | 1.068 | 61.821 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 416 | A | 309 | PRO | 0 | -0.009 | -0.113 | 60.752 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 417 | A | 310 | GLY | 0 | 0.009 | 0.009 | 60.940 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 418 | A | 311 | MET | 0 | 0.041 | 0.030 | 58.027 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 419 | A | 311 | MET | 0 | -0.112 | 0.063 | 56.979 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 420 | A | 312 | ASN | 0 | 0.149 | -0.058 | 54.621 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 421 | A | 312 | ASN | 0 | -0.119 | 0.063 | 53.647 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 422 | A | 313 | ALA | 0 | 0.106 | -0.094 | 51.611 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 423 | A | 313 | ALA | 0 | -0.066 | 0.104 | 51.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 424 | A | 314 | TRP | 0 | 0.056 | -0.090 | 47.466 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 425 | A | 314 | TRP | 0 | -0.112 | 0.088 | 46.536 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 426 | A | 315 | LEU | 0 | 0.163 | -0.085 | 46.935 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 427 | A | 315 | LEU | 0 | -0.102 | 0.096 | 46.317 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 428 | A | 316 | GLN | 0 | 0.075 | -0.080 | 42.366 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 429 | A | 316 | GLN | 0 | -0.133 | 0.063 | 39.224 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 430 | A | 317 | LEU | 0 | 0.135 | -0.102 | 42.491 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 431 | A | 317 | LEU | 0 | -0.116 | 0.095 | 42.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 432 | A | 318 | ASN | 0 | 0.000 | -0.062 | 38.776 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 433 | A | 318 | ASN | 0 | -0.097 | 0.081 | 37.977 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 434 | A | 319 | THR | 0 | 0.194 | -0.024 | 38.970 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 435 | A | 319 | THR | 0 | -0.059 | 0.049 | 38.889 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 436 | A | 320 | ALA | 0 | 0.153 | -0.055 | 35.794 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 437 | A | 320 | ALA | 0 | -0.116 | 0.075 | 35.568 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 438 | A | 321 | SER | 0 | -0.024 | -0.134 | 34.505 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 439 | A | 321 | SER | 0 | 0.005 | 0.087 | 32.951 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 440 | A | 322 | GLU | 0 | 0.053 | -0.103 | 34.350 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 441 | A | 322 | GLU | -1 | -0.981 | -0.824 | 34.225 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
| 442 | A | 323 | PRO | 0 | -0.055 | -0.148 | 31.133 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 443 | A | 324 | MET | 0 | 0.019 | 0.011 | 28.521 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 444 | A | 324 | MET | 0 | -0.053 | 0.090 | 27.789 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 445 | A | 325 | LEU | 0 | 0.113 | -0.084 | 23.975 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 446 | A | 325 | LEU | 0 | -0.082 | 0.100 | 22.760 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 447 | A | 326 | LEU | 0 | 0.079 | -0.117 | 23.737 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 448 | A | 326 | LEU | 0 | -0.046 | 0.133 | 24.339 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 449 | A | 327 | ILE | 0 | 0.038 | -0.101 | 19.400 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 450 | A | 327 | ILE | 0 | -0.036 | 0.112 | 18.142 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 451 | A | 328 | PRO | 0 | 0.036 | -0.105 | 17.682 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
| 452 | A | 329 | SER | 0 | 0.060 | 0.012 | 18.568 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 453 | A | 329 | SER | 0 | -0.037 | 0.063 | 21.776 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 454 | A | 330 | GLN | 0 | 0.069 | -0.066 | 17.813 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 455 | A | 330 | GLN | 0 | -0.095 | 0.061 | 17.041 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 456 | A | 331 | ALA | 0 | 0.072 | -0.073 | 14.435 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
| 457 | A | 331 | ALA | 0 | -0.106 | 0.065 | 14.743 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
| 458 | A | 332 | LEU | 0 | 0.045 | -0.103 | 14.453 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
| 459 | A | 332 | LEU | 0 | -0.104 | 0.083 | 17.716 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 460 | A | 333 | ILE | 0 | 0.057 | -0.096 | 14.605 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 461 | A | 333 | ILE | 0 | -0.124 | 0.072 | 12.558 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 462 | A | 334 | ASP | 0 | 0.095 | -0.178 | 16.013 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
| 463 | A | 334 | ASP | -1 | -0.959 | -0.788 | 18.303 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
| 464 | A | 335 | THR | 0 | -0.091 | -0.102 | 18.154 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 465 | A | 335 | THR | 0 | -0.037 | 0.061 | 18.457 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
| 466 | A | 336 | GLY | 0 | 0.054 | -0.073 | 20.383 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 467 | A | 337 | SER | 0 | 0.080 | 0.043 | 21.885 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 468 | A | 337 | SER | 0 | -0.043 | 0.055 | 22.391 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 469 | A | 338 | GLU | 0 | -0.039 | -0.122 | 17.540 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 470 | A | 338 | GLU | -1 | -0.892 | -0.813 | 16.361 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
| 471 | A | 339 | GLN | 0 | 0.161 | -0.098 | 18.307 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
| 472 | A | 339 | GLN | 0 | -0.097 | 0.096 | 20.644 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 473 | A | 340 | ARG | 0 | 0.144 | -0.064 | 15.978 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
| 474 | A | 340 | ARG | 1 | 0.778 | 0.994 | 13.468 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
| 475 | A | 341 | VAL | 0 | 0.002 | -0.047 | 13.085 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
| 476 | A | 341 | VAL | 0 | -0.028 | 0.087 | 13.616 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
| 477 | A | 342 | ILE | 0 | 0.032 | -0.093 | 9.072 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
| 478 | A | 342 | ILE | 0 | -0.072 | 0.106 | 7.064 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 479 | A | 343 | THR | 0 | 0.055 | -0.103 | 9.754 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
| 480 | A | 343 | THR | 0 | -0.011 | 0.078 | 10.809 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
| 481 | A | 344 | VAL | 0 | 0.128 | -0.076 | 8.489 | -0.498 | -0.498 | 0.000 | 0.000 | 0.000 | 0.000 |
| 482 | A | 344 | VAL | 0 | -0.142 | 0.071 | 8.337 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
| 483 | A | 345 | ASP | 0 | 0.039 | -0.070 | 9.095 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
| 484 | A | 345 | ASP | -1 | -0.919 | -0.825 | 9.601 | -1.954 | -1.954 | 0.000 | 0.000 | 0.000 | 0.000 |
| 485 | A | 346 | ALA | 0 | 0.145 | -0.098 | 11.069 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 486 | A | 346 | ALA | 0 | -0.077 | 0.111 | 13.778 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
| 487 | A | 347 | ASP | 0 | -0.031 | -0.178 | 10.241 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
| 488 | A | 347 | ASP | -1 | -0.937 | -0.831 | 9.271 | -1.522 | -1.522 | 0.000 | 0.000 | 0.000 | 0.000 |
| 489 | A | 348 | GLY | 0 | -0.033 | -0.122 | 8.022 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
| 490 | A | 349 | ARG | 0 | 0.056 | 0.009 | 4.785 | -0.972 | -0.974 | -0.002 | -0.004 | 0.008 | 0.000 |
| 491 | A | 349 | ARG | 1 | 0.810 | 1.055 | 5.928 | 2.496 | 2.496 | 0.000 | 0.000 | 0.000 | 0.000 |
| 492 | A | 350 | PHE | 0 | 0.075 | -0.085 | 4.495 | 1.096 | 1.155 | -0.001 | -0.014 | -0.044 | 0.000 |
| 493 | A | 350 | PHE | 0 | -0.089 | 0.064 | 3.121 | 0.419 | -0.598 | 0.019 | 1.383 | -0.386 | 0.000 |
| 494 | A | 351 | VAL | 0 | 0.059 | -0.116 | 5.758 | -0.413 | -0.418 | -0.002 | 0.001 | 0.006 | 0.000 |
| 495 | A | 351 | VAL | 0 | -0.030 | 0.133 | 8.780 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
| 496 | A | 352 | PRO | 0 | -0.011 | -0.111 | 8.253 | 0.311 | 0.311 | 0.000 | 0.000 | 0.000 | 0.000 |
| 497 | A | 353 | LYS | 0 | 0.034 | -0.047 | 10.848 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
| 498 | A | 353 | LYS | 1 | 0.860 | 1.089 | 13.189 | 0.712 | 0.712 | 0.000 | 0.000 | 0.000 | 0.000 |
| 499 | A | 354 | ARG | 0 | 0.131 | -0.075 | 14.183 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
| 500 | A | 354 | ARG | 1 | 0.785 | 1.029 | 17.276 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
| 501 | A | 355 | VAL | 0 | 0.034 | -0.081 | 17.305 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 502 | A | 355 | VAL | 0 | -0.083 | 0.064 | 17.022 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 503 | A | 356 | ALA | 0 | 0.215 | -0.041 | 19.615 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
| 504 | A | 356 | ALA | 0 | -0.139 | 0.079 | 23.665 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 505 | A | 357 | VAL | 0 | 0.065 | -0.127 | 23.084 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 506 | A | 357 | VAL | 0 | -0.034 | 0.146 | 21.874 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 507 | A | 358 | PHE | 0 | 0.097 | -0.101 | 24.369 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
| 508 | A | 358 | PHE | 0 | -0.081 | 0.066 | 27.917 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
| 509 | A | 359 | GLN | 0 | -0.014 | -0.097 | 27.904 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 510 | A | 359 | GLN | 0 | -0.061 | 0.070 | 30.226 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 511 | A | 360 | ALA | 0 | 0.128 | -0.105 | 26.578 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
| 512 | A | 360 | ALA | 0 | -0.065 | 0.115 | 25.821 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 513 | A | 361 | SER | 0 | 0.015 | -0.098 | 27.747 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
| 514 | A | 361 | SER | 0 | 0.019 | 0.083 | 30.880 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 515 | A | 362 | GLN | 0 | 0.029 | -0.053 | 28.450 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 516 | A | 362 | GLN | 0 | -0.070 | 0.093 | 29.220 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
| 517 | A | 363 | GLY | 0 | 0.051 | -0.098 | 25.569 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 518 | A | 364 | VAL | 0 | -0.063 | -0.015 | 23.385 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 519 | A | 364 | VAL | 0 | -0.016 | 0.116 | 23.392 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 520 | A | 365 | THR | 0 | 0.018 | -0.104 | 23.308 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
| 521 | A | 365 | THR | 0 | 0.025 | 0.090 | 21.874 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 522 | A | 366 | ALA | 0 | 0.143 | -0.062 | 23.866 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
| 523 | A | 366 | ALA | 0 | -0.072 | 0.111 | 27.382 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
| 524 | A | 367 | LEU | 0 | 0.082 | -0.120 | 22.895 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 525 | A | 367 | LEU | 0 | -0.095 | 0.111 | 19.457 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
| 526 | A | 368 | ARG | 0 | 0.027 | -0.066 | 24.161 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 527 | A | 368 | ARG | 1 | 0.840 | 1.021 | 26.308 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
| 528 | A | 369 | SER | 0 | 0.030 | -0.088 | 24.242 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
| 529 | A | 369 | SER | 0 | -0.019 | 0.086 | 24.507 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
| 530 | A | 370 | GLY | 0 | 0.012 | -0.097 | 20.206 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 531 | A | 371 | LEU | 0 | 0.022 | 0.028 | 18.387 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
| 532 | A | 371 | LEU | 0 | -0.098 | 0.074 | 15.469 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 533 | A | 372 | ALA | 0 | 0.122 | -0.111 | 19.038 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
| 534 | A | 372 | ALA | 0 | -0.065 | 0.120 | 20.157 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
| 535 | A | 373 | GLU | 0 | 0.094 | -0.103 | 20.025 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
| 536 | A | 373 | GLU | -1 | -0.904 | -0.775 | 23.791 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
| 537 | A | 374 | GLY | 0 | -0.063 | -0.125 | 20.705 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 538 | A | 375 | GLU | 0 | 0.131 | 0.013 | 16.928 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
| 539 | A | 375 | GLU | -1 | -0.895 | -0.801 | 15.298 | -0.660 | -0.660 | 0.000 | 0.000 | 0.000 | 0.000 |
| 540 | A | 376 | LYS | 0 | 0.030 | -0.121 | 14.450 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
| 541 | A | 376 | LYS | 1 | 0.836 | 1.049 | 13.379 | 0.397 | 0.397 | 0.000 | 0.000 | 0.000 | 0.000 |
| 542 | A | 377 | VAL | 0 | 0.109 | -0.097 | 12.473 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
| 543 | A | 377 | VAL | 0 | -0.047 | 0.120 | 13.168 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
| 544 | A | 378 | VAL | 0 | 0.081 | -0.119 | 10.167 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 545 | A | 378 | VAL | 0 | -0.071 | 0.133 | 8.702 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
| 546 | A | 379 | SER | 0 | 0.065 | -0.084 | 11.676 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
| 547 | A | 379 | SER | 0 | -0.047 | 0.083 | 15.615 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
| 548 | A | 380 | SER | 0 | 0.009 | -0.085 | 12.180 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
| 549 | A | 380 | SER | 0 | -0.042 | 0.041 | 13.627 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
| 550 | A | 381 | GLY | 0 | 0.023 | -0.066 | 10.374 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
| 551 | A | 382 | LEU | 0 | 0.116 | 0.035 | 7.526 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
| 552 | A | 382 | LEU | 0 | -0.084 | 0.070 | 8.100 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
| 553 | A | 383 | PHE | 0 | 0.066 | -0.083 | 3.476 | -0.994 | -0.966 | 0.055 | 0.028 | -0.112 | 0.000 |
| 554 | A | 383 | PHE | 0 | -0.029 | 0.082 | 2.434 | -2.005 | -0.932 | 2.675 | -1.752 | -1.997 | -0.006 |
| 555 | A | 384 | LEU | 0 | 0.074 | -0.049 | 4.678 | -1.170 | -1.110 | -0.002 | -0.011 | -0.047 | 0.000 |
| 556 | A | 384 | LEU | 0 | -0.042 | 0.100 | 3.712 | -0.766 | -0.311 | 0.025 | -0.238 | -0.242 | 0.002 |
| 557 | A | 385 | ILE | 0 | -0.071 | -0.139 | 3.134 | 2.812 | 3.782 | 0.130 | -0.400 | -0.701 | -0.002 |
| 558 | A | 385 | ILE | 0 | 0.080 | 0.046 | 4.348 | -0.299 | -0.265 | -0.001 | -0.008 | -0.025 | 0.000 |