FMODB ID: LZRK9
Calculation Name: 3OE0-A-Xray372
Preferred Name: C-X-C chemokine receptor type 4
Target Type: SINGLE PROTEIN
Ligand Name: naphthalen-2-yl-3-alanine
ligand 3-letter code: ALN
PDB ID: 3OE0
Chain ID: A
ChEMBL ID: CHEMBL2107
UniProt ID: P61073
Base Structure: X-ray
Registration Date: 2023-06-26
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptAll |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 438 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7575122.00958 |
---|---|
FMO2-HF: Nuclear repulsion | 7400446.034983 |
FMO2-HF: Total energy | -174675.974598 |
FMO2-MP2: Total energy | -175188.296907 |
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:25:LYS)
Summations of interaction energy for
fragment #1(A:25:LYS)
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. |
-124.477 | -130.328 | 26.505 | -12.124 | -8.53 | -0.138 |
Interaction energy analysis for fragmet #1(A:25:LYS)
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 | 27 | PRO | 0 | -0.023 | -0.011 | 3.811 | -5.343 | -3.746 | 0.004 | -0.689 | -0.912 | 0.002 |
4 | A | 28 | CYS | 0 | 0.026 | -0.008 | 5.912 | 3.521 | 3.521 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 29 | PHE | 0 | 0.029 | 0.028 | 7.715 | 2.059 | 2.059 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 30 | ARG | 1 | 0.851 | 0.914 | 11.229 | 19.263 | 19.263 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 31 | GLU | -1 | -0.803 | -0.875 | 14.187 | -16.437 | -16.437 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 32 | GLU | -1 | -0.803 | -0.878 | 17.781 | -16.671 | -16.671 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 33 | ASN | 0 | -0.027 | -0.019 | 20.283 | 1.097 | 1.097 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 34 | ALA | 0 | 0.080 | 0.033 | 23.092 | 0.295 | 0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 35 | ASN | 0 | 0.017 | 0.000 | 26.477 | 0.244 | 0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 36 | PHE | 0 | -0.004 | -0.004 | 22.494 | 0.446 | 0.446 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 37 | ASN | 0 | 0.055 | 0.019 | 23.166 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 38 | LYS | 1 | 0.898 | 0.932 | 26.799 | 10.770 | 10.770 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 39 | ILE | 0 | -0.005 | 0.004 | 30.047 | 0.391 | 0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 40 | PHE | 0 | -0.013 | 0.004 | 27.490 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 41 | LEU | 0 | 0.050 | 0.033 | 24.761 | 0.305 | 0.305 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 42 | PRO | 0 | 0.028 | 0.027 | 29.276 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 43 | THR | 0 | -0.033 | -0.010 | 32.679 | 0.445 | 0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 44 | ILE | 0 | -0.024 | -0.015 | 30.269 | 0.306 | 0.306 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 45 | TYR | 0 | 0.038 | 0.006 | 26.561 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 46 | SER | 0 | -0.001 | -0.010 | 33.267 | 0.294 | 0.294 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 47 | ILE | 0 | -0.026 | -0.008 | 36.127 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 48 | ILE | 0 | 0.005 | 0.021 | 32.423 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 49 | PHE | 0 | 0.016 | 0.007 | 36.532 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 50 | LEU | 0 | -0.005 | -0.001 | 38.146 | 0.222 | 0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 51 | THR | 0 | -0.037 | -0.046 | 39.436 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 52 | GLY | 0 | 0.064 | 0.026 | 39.326 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 53 | ILE | 0 | -0.036 | -0.016 | 40.369 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 54 | VAL | 0 | 0.014 | 0.011 | 42.377 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 55 | GLY | 0 | 0.020 | 0.009 | 44.020 | 0.152 | 0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 56 | ASN | 0 | 0.018 | -0.004 | 40.168 | 0.201 | 0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 57 | GLY | 0 | 0.034 | 0.034 | 44.069 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 58 | LEU | 0 | -0.018 | -0.008 | 46.760 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 59 | VAL | 0 | -0.016 | -0.009 | 45.634 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 60 | ILE | 0 | 0.007 | -0.003 | 44.109 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 61 | LEU | 0 | 0.005 | 0.006 | 48.461 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 62 | VAL | 0 | -0.040 | -0.014 | 51.438 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 63 | MET | 0 | -0.051 | -0.021 | 49.691 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 64 | GLY | 0 | 0.014 | 0.005 | 51.299 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 65 | TYR | 0 | -0.008 | -0.001 | 51.843 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 66 | GLN | 0 | -0.011 | -0.016 | 55.601 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 67 | LYS | 1 | 0.896 | 0.944 | 53.740 | 6.068 | 6.068 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 68 | LYS | 1 | 0.981 | 1.010 | 57.573 | 5.294 | 5.294 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 69 | LEU | 0 | 0.062 | 0.044 | 51.906 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 70 | ARG | 1 | 0.883 | 0.929 | 54.982 | 5.594 | 5.594 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 71 | SER | 0 | -0.080 | -0.069 | 51.630 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 72 | MET | 0 | 0.033 | 0.016 | 49.319 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 73 | THR | 0 | 0.014 | 0.011 | 46.234 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 74 | ASP | -1 | -0.761 | -0.849 | 46.670 | -6.573 | -6.573 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 75 | LYS | 1 | 0.868 | 0.937 | 47.970 | 6.416 | 6.416 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 76 | TYR | 0 | 0.024 | 0.000 | 43.502 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 77 | ARG | 1 | 0.825 | 0.900 | 43.431 | 6.995 | 6.995 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 78 | LEU | 0 | 0.011 | 0.025 | 44.026 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 79 | HIS | 0 | 0.002 | 0.008 | 42.108 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 80 | LEU | 0 | -0.004 | 0.003 | 37.389 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 81 | SER | 0 | 0.002 | -0.021 | 39.752 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 82 | VAL | 0 | -0.012 | -0.006 | 41.557 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 83 | ALA | 0 | -0.006 | -0.001 | 36.735 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 84 | ASP | -1 | -0.829 | -0.912 | 36.357 | -8.955 | -8.955 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 85 | LEU | 0 | -0.044 | -0.025 | 37.655 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 86 | LEU | 0 | -0.016 | -0.013 | 36.709 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 87 | PHE | 0 | 0.044 | 0.022 | 29.786 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 88 | VAL | 0 | 0.019 | 0.004 | 34.737 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 89 | ILE | 0 | -0.039 | -0.023 | 36.649 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 90 | THR | 0 | 0.029 | 0.015 | 31.953 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 91 | LEU | 0 | -0.016 | -0.002 | 31.526 | -0.203 | -0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 92 | PRO | 0 | -0.022 | -0.014 | 33.215 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 93 | PHE | 0 | -0.023 | 0.000 | 32.663 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 94 | TRP | 0 | 0.044 | 0.023 | 24.847 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 95 | ALA | 0 | -0.025 | -0.004 | 29.532 | -0.259 | -0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 96 | VAL | 0 | -0.005 | -0.011 | 31.675 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 97 | ASP | -1 | -0.824 | -0.911 | 26.579 | -11.741 | -11.741 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 98 | ALA | 0 | 0.005 | 0.012 | 26.959 | -0.252 | -0.252 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 99 | VAL | 0 | -0.040 | -0.022 | 27.952 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 100 | ALA | 0 | -0.063 | -0.027 | 30.637 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 101 | ASN | 0 | 0.096 | 0.041 | 29.144 | -0.511 | -0.511 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 102 | TRP | 0 | 0.018 | 0.017 | 28.346 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 103 | TYR | 0 | -0.044 | -0.028 | 30.322 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 104 | PHE | 0 | 0.002 | 0.000 | 32.592 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 105 | GLY | 0 | 0.050 | 0.033 | 32.892 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 106 | ASN | 0 | 0.056 | 0.016 | 28.955 | -0.345 | -0.345 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 107 | PHE | 0 | -0.011 | 0.000 | 31.403 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 108 | LEU | 0 | 0.033 | 0.005 | 33.661 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 109 | CYS | 0 | -0.031 | 0.011 | 24.420 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 110 | LYS | 1 | 0.835 | 0.897 | 28.000 | 10.935 | 10.935 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 111 | ALA | 0 | -0.027 | -0.011 | 30.447 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 112 | VAL | 0 | 0.020 | 0.012 | 28.960 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 113 | HIS | 0 | -0.030 | -0.024 | 23.677 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 114 | VAL | 0 | -0.011 | -0.003 | 28.193 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 115 | ILE | 0 | -0.023 | -0.012 | 30.696 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 116 | TYR | 0 | -0.055 | -0.051 | 24.329 | 0.405 | 0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 117 | THR | 0 | -0.027 | -0.043 | 27.154 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 118 | VAL | 0 | 0.003 | -0.001 | 28.812 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 119 | ASN | 0 | -0.049 | -0.007 | 31.922 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 120 | LEU | 0 | 0.026 | 0.039 | 26.023 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 121 | TYR | 0 | 0.004 | -0.004 | 25.152 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 122 | SER | 0 | -0.042 | -0.068 | 31.028 | 0.333 | 0.333 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 123 | SER | 0 | -0.012 | -0.027 | 33.018 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 124 | VAL | 0 | 0.025 | 0.016 | 30.686 | 0.352 | 0.352 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 125 | TRP | 0 | 0.003 | -0.002 | 31.147 | 0.510 | 0.510 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 126 | ILE | 0 | -0.023 | -0.008 | 35.727 | 0.336 | 0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 127 | LEU | 0 | -0.016 | -0.001 | 35.586 | 0.327 | 0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 128 | ALA | 0 | 0.041 | 0.030 | 36.272 | 0.203 | 0.203 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 129 | PHE | 0 | 0.013 | -0.004 | 38.355 | 0.287 | 0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 130 | ILE | 0 | -0.036 | -0.014 | 41.556 | 0.290 | 0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 131 | SER | 0 | -0.008 | -0.012 | 40.103 | 0.192 | 0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 132 | LEU | 0 | 0.061 | 0.024 | 40.549 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 133 | ASP | -1 | -0.804 | -0.866 | 43.689 | -6.399 | -6.399 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 134 | ARG | 1 | 0.771 | 0.863 | 45.252 | 6.944 | 6.944 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 135 | TYR | 0 | 0.057 | 0.015 | 44.606 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 136 | LEU | 0 | 0.019 | 0.004 | 46.570 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 137 | ALA | 0 | -0.078 | -0.025 | 49.340 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 138 | ILE | 0 | -0.010 | 0.002 | 48.903 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 139 | VAL | 0 | 0.029 | 0.026 | 47.537 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 140 | HIS | 0 | 0.030 | 0.023 | 49.422 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 141 | ALA | 0 | 0.004 | 0.002 | 53.094 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 142 | THR | 0 | 0.008 | 0.010 | 55.313 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 143 | ASN | 0 | 0.007 | -0.005 | 56.786 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 144 | SER | 0 | 0.001 | 0.000 | 52.127 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 145 | GLN | 0 | -0.013 | -0.012 | 53.328 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 146 | ARG | 1 | 0.939 | 0.959 | 54.809 | 5.558 | 5.558 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 147 | PRO | 0 | 0.045 | 0.020 | 50.199 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 148 | ARG | 1 | 0.859 | 0.906 | 49.645 | 6.233 | 6.233 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 149 | LYS | 1 | 0.835 | 0.909 | 50.033 | 5.797 | 5.797 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 150 | LEU | 0 | 0.031 | 0.007 | 50.197 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 151 | LEU | 0 | -0.009 | 0.004 | 43.966 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 152 | ALA | 0 | 0.062 | 0.036 | 46.141 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 153 | GLU | -1 | -0.855 | -0.921 | 48.041 | -6.024 | -6.024 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 154 | LYS | 1 | 0.902 | 0.947 | 48.104 | 6.411 | 6.411 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 155 | VAL | 0 | 0.046 | 0.022 | 43.045 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 156 | VAL | 0 | 0.033 | 0.025 | 41.844 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 157 | TYR | 0 | -0.016 | -0.009 | 41.360 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 158 | VAL | 0 | 0.006 | -0.002 | 41.129 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 159 | GLY | 0 | 0.001 | 0.000 | 38.977 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 160 | VAL | 0 | -0.034 | -0.003 | 36.330 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 161 | TRP | 0 | -0.013 | -0.020 | 36.572 | -0.228 | -0.228 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 162 | ILE | 0 | 0.025 | 0.017 | 37.260 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 163 | PRO | 0 | 0.000 | 0.005 | 34.134 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 164 | ALA | 0 | 0.017 | 0.010 | 32.611 | -0.312 | -0.312 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 165 | LEU | 0 | 0.007 | 0.002 | 32.528 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 166 | LEU | 0 | -0.017 | 0.005 | 33.361 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 167 | LEU | 0 | -0.031 | -0.018 | 27.774 | -0.272 | -0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 168 | THR | 0 | -0.007 | -0.009 | 28.203 | -0.359 | -0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 169 | ILE | 0 | -0.016 | 0.004 | 29.201 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 170 | PRO | 0 | 0.007 | -0.012 | 24.159 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 171 | ASP | -1 | -0.735 | -0.828 | 25.435 | -12.397 | -12.397 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 172 | PHE | 0 | -0.003 | -0.016 | 27.124 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 173 | ILE | 0 | -0.042 | 0.005 | 25.166 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 174 | PHE | 0 | 0.028 | -0.006 | 21.937 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 175 | ALA | 0 | -0.024 | 0.009 | 23.322 | -0.391 | -0.391 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 176 | ASN | 0 | -0.055 | -0.033 | 24.378 | 1.139 | 1.139 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 177 | VAL | 0 | 0.061 | 0.024 | 24.724 | -0.291 | -0.291 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 178 | SER | 0 | -0.085 | -0.031 | 22.358 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 179 | GLU | -1 | -0.979 | -0.994 | 24.059 | -11.713 | -11.713 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 180 | ALA | 0 | 0.036 | 0.011 | 20.991 | -0.615 | -0.615 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 181 | ASP | -1 | -0.943 | -0.967 | 22.304 | -12.920 | -12.920 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 182 | ASP | -1 | -0.922 | -0.951 | 24.168 | -10.424 | -10.424 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 183 | ARG | 1 | 0.719 | 0.861 | 25.430 | 12.260 | 12.260 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 184 | TYR | 0 | -0.029 | -0.017 | 26.351 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 185 | ILE | 0 | 0.032 | 0.026 | 20.886 | 0.193 | 0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 187 | ASP | -1 | -0.790 | -0.888 | 19.897 | -14.988 | -14.988 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 188 | ARG | 1 | 0.836 | 0.898 | 20.609 | 14.035 | 14.035 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 189 | PHE | 0 | 0.022 | 0.021 | 15.860 | -0.912 | -0.912 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 190 | TYR | 0 | -0.016 | -0.017 | 17.032 | 0.656 | 0.656 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 191 | PRO | 0 | -0.029 | -0.014 | 16.887 | -0.632 | -0.632 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 192 | ASN | 0 | 0.037 | 0.011 | 12.941 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 193 | ASP | -1 | -0.785 | -0.905 | 9.990 | -27.252 | -27.252 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 194 | LEU | 0 | -0.015 | 0.002 | 12.044 | 1.065 | 1.065 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 195 | TRP | 0 | -0.013 | -0.013 | 14.118 | 1.543 | 1.543 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 196 | VAL | 0 | 0.020 | 0.014 | 13.168 | 0.948 | 0.948 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 197 | VAL | 0 | 0.058 | 0.024 | 12.223 | 1.122 | 1.122 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 198 | VAL | 0 | -0.026 | 0.000 | 14.491 | 1.109 | 1.109 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 199 | PHE | 0 | -0.028 | -0.027 | 17.804 | 1.190 | 1.190 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 200 | GLN | 0 | 0.000 | 0.001 | 13.599 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 201 | PHE | 0 | 0.014 | 0.004 | 17.580 | 0.894 | 0.894 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 202 | GLN | 0 | -0.004 | 0.003 | 19.170 | 0.922 | 0.922 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 203 | HIS | 0 | 0.065 | 0.033 | 21.146 | 0.612 | 0.612 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 204 | ILE | 0 | 0.032 | 0.013 | 18.144 | 0.776 | 0.776 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 205 | MET | 0 | -0.037 | -0.015 | 22.561 | 0.643 | 0.643 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 206 | VAL | 0 | -0.028 | -0.025 | 24.775 | 0.653 | 0.653 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 207 | GLY | 0 | 0.043 | 0.032 | 26.079 | 0.541 | 0.541 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 208 | LEU | 0 | -0.008 | -0.008 | 25.299 | 0.416 | 0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 209 | ILE | 0 | -0.002 | 0.002 | 23.107 | 0.527 | 0.527 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 210 | LEU | 0 | 0.001 | 0.000 | 27.628 | 0.497 | 0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 211 | PRO | 0 | 0.015 | 0.017 | 29.748 | 0.448 | 0.448 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 212 | GLY | 0 | 0.053 | 0.017 | 31.213 | 0.375 | 0.375 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 213 | ILE | 0 | 0.017 | 0.012 | 29.365 | 0.368 | 0.368 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 214 | VAL | 0 | -0.006 | 0.017 | 33.248 | 0.396 | 0.396 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 215 | ILE | 0 | 0.014 | 0.007 | 34.750 | 0.373 | 0.373 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 216 | LEU | 0 | 0.013 | 0.002 | 32.965 | 0.331 | 0.331 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 217 | SER | 0 | 0.002 | -0.002 | 36.641 | 0.256 | 0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 218 | CYS | 0 | -0.102 | -0.054 | 38.918 | 0.314 | 0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 219 | TYR | 0 | -0.010 | -0.010 | 39.914 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 220 | CYS | 0 | 0.001 | -0.005 | 39.208 | 0.182 | 0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 221 | ILE | 0 | 0.024 | 0.011 | 42.210 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 222 | ILE | 0 | -0.034 | -0.021 | 44.255 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 223 | ILE | 0 | -0.026 | -0.021 | 43.741 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 224 | SER | 0 | 0.022 | 0.017 | 46.321 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 225 | LYS | 1 | 0.817 | 0.922 | 48.051 | 6.200 | 6.200 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 226 | LEU | 0 | -0.067 | -0.042 | 48.651 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 227 | SER | 0 | 0.046 | 0.027 | 50.813 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 228 | HIS | 0 | 0.026 | 0.015 | 52.657 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 1002 | ASN | 0 | -0.020 | -0.025 | 53.866 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 1003 | ILE | 0 | -0.004 | -0.001 | 53.995 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 1004 | PHE | 0 | 0.014 | 0.017 | 57.029 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 1005 | GLU | -1 | -0.792 | -0.892 | 58.776 | -5.229 | -5.229 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 1006 | MET | 0 | -0.084 | -0.003 | 60.369 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 1007 | LEU | 0 | 0.042 | 0.008 | 60.589 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 1008 | ARG | 1 | 0.858 | 0.925 | 62.154 | 5.248 | 5.248 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 1009 | ILE | 0 | -0.053 | -0.024 | 64.715 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 1010 | ASP | -1 | -0.775 | -0.852 | 66.271 | -4.773 | -4.773 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 1011 | GLU | -1 | -0.825 | -0.879 | 66.191 | -4.778 | -4.778 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 1012 | GLY | 0 | -0.038 | 0.002 | 68.173 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 1013 | LEU | 0 | 0.014 | -0.013 | 63.773 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 1014 | ARG | 1 | 0.878 | 0.957 | 67.161 | 4.521 | 4.521 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 1015 | LEU | 0 | 0.034 | 0.014 | 64.230 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 1016 | LYS | 1 | 0.947 | 0.966 | 67.364 | 4.531 | 4.531 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 1017 | ILE | 0 | 0.017 | 0.019 | 69.581 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 1018 | TYR | 0 | -0.028 | -0.012 | 71.190 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 1019 | LYS | 1 | 0.886 | 0.947 | 73.312 | 4.089 | 4.089 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 1020 | ASP | -1 | -0.814 | -0.912 | 73.593 | -4.341 | -4.341 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 1021 | THR | 0 | -0.003 | -0.021 | 76.050 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 1022 | GLU | -1 | -0.902 | -0.913 | 76.500 | -4.224 | -4.224 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 1023 | GLY | 0 | -0.030 | 0.004 | 78.037 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 1024 | TYR | 0 | -0.059 | -0.076 | 73.098 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 1025 | TYR | 0 | -0.005 | -0.014 | 72.086 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 1026 | THR | 0 | 0.007 | -0.001 | 69.031 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 1027 | ILE | 0 | 0.012 | 0.003 | 64.971 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 1028 | GLY | 0 | 0.040 | 0.014 | 63.917 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 1029 | ILE | 0 | -0.035 | -0.009 | 61.218 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 1030 | GLY | 0 | 0.026 | 0.009 | 64.099 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 1031 | HIS | 1 | 0.827 | 0.908 | 60.973 | 5.236 | 5.236 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 1032 | LEU | 0 | -0.002 | -0.002 | 65.061 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 1033 | LEU | 0 | -0.065 | -0.025 | 65.446 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 1034 | THR | 0 | 0.032 | 0.005 | 67.655 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 1035 | LYS | 1 | 0.922 | 0.975 | 70.314 | 4.499 | 4.499 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 1036 | SER | 0 | 0.005 | 0.010 | 72.386 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 1037 | PRO | 0 | 0.080 | 0.025 | 74.949 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 1038 | SER | 0 | -0.008 | 0.013 | 75.672 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 1039 | LEU | 0 | 0.080 | 0.037 | 74.203 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 1040 | ASN | 0 | 0.051 | 0.009 | 73.395 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 1041 | ALA | 0 | 0.002 | 0.013 | 71.501 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 1042 | ALA | 0 | 0.017 | 0.002 | 69.876 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 1043 | LYS | 1 | 0.838 | 0.908 | 68.748 | 4.595 | 4.595 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 1044 | SER | 0 | 0.015 | 0.008 | 67.113 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 1045 | GLU | -1 | -0.844 | -0.892 | 64.768 | -5.072 | -5.072 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 1046 | LEU | 0 | -0.022 | -0.011 | 63.937 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 1047 | ASP | -1 | -0.755 | -0.854 | 63.108 | -4.942 | -4.942 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 1048 | LYS | 1 | 0.827 | 0.897 | 60.384 | 5.004 | 5.004 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 1049 | ALA | 0 | -0.009 | 0.004 | 59.520 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 1050 | ILE | 0 | -0.085 | -0.047 | 58.393 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 1051 | GLY | 0 | 0.025 | 0.016 | 57.331 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 1052 | ARG | 1 | 0.800 | 0.881 | 58.388 | 5.162 | 5.162 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 1053 | ASN | 0 | 0.042 | 0.025 | 60.978 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 1054 | THR | 0 | -0.047 | -0.035 | 64.091 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 1055 | ASN | 0 | 0.000 | -0.025 | 66.343 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 1056 | GLY | 0 | 0.047 | 0.027 | 68.926 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 1057 | VAL | 0 | -0.058 | -0.036 | 67.522 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 1058 | ILE | 0 | 0.008 | 0.001 | 62.730 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 1059 | THR | 0 | 0.020 | -0.013 | 60.407 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 1060 | LYS | 1 | 0.815 | 0.902 | 56.900 | 5.641 | 5.641 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 1061 | ASP | -1 | -0.774 | -0.891 | 55.926 | -5.701 | -5.701 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 1062 | GLU | -1 | -0.733 | -0.817 | 56.783 | -5.389 | -5.389 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 1063 | ALA | 0 | 0.000 | -0.004 | 58.786 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 1064 | GLU | -1 | -0.902 | -0.968 | 54.524 | -5.903 | -5.903 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 1065 | LYS | 1 | 0.886 | 0.969 | 53.662 | 5.762 | 5.762 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 1066 | LEU | 0 | -0.030 | -0.015 | 55.333 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 1067 | PHE | 0 | 0.045 | 0.021 | 57.355 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 1068 | ASN | 0 | -0.023 | -0.035 | 52.663 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 1069 | GLN | 0 | 0.010 | 0.007 | 53.406 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 1070 | ASP | -1 | -0.793 | -0.864 | 54.694 | -5.424 | -5.424 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 1071 | VAL | 0 | -0.031 | -0.018 | 53.987 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 1072 | ASP | -1 | -0.793 | -0.868 | 49.866 | -6.536 | -6.536 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 1073 | ALA | 0 | -0.033 | -0.016 | 52.774 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 1074 | ALA | 0 | 0.010 | 0.002 | 55.094 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 1075 | VAL | 0 | -0.020 | -0.018 | 51.108 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 1076 | ARG | 1 | 0.797 | 0.871 | 48.062 | 6.419 | 6.419 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 1077 | GLY | 0 | 0.052 | 0.051 | 52.924 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 1078 | ILE | 0 | 0.034 | -0.005 | 55.083 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 1079 | LEU | 0 | -0.070 | -0.043 | 49.180 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 1080 | ARG | 1 | 0.892 | 0.944 | 49.308 | 6.214 | 6.214 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 1081 | ASN | 0 | -0.013 | -0.004 | 54.728 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 1082 | ALA | 0 | 0.040 | 0.007 | 57.458 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 1083 | LYS | 1 | 0.919 | 0.970 | 58.495 | 5.043 | 5.043 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 1084 | LEU | 0 | -0.020 | -0.007 | 58.543 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 1085 | LYS | 1 | 0.854 | 0.935 | 48.945 | 6.437 | 6.437 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 1086 | PRO | 0 | 0.062 | 0.026 | 54.215 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 1087 | VAL | 0 | -0.025 | -0.012 | 55.290 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 1088 | TYR | 0 | 0.071 | 0.032 | 51.234 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 1089 | ASP | -1 | -0.767 | -0.862 | 50.766 | -6.524 | -6.524 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 1090 | SER | 0 | -0.086 | -0.042 | 51.239 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 1091 | LEU | 0 | -0.030 | -0.007 | 53.695 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 1092 | ASP | -1 | -0.789 | -0.872 | 52.516 | -5.948 | -5.948 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 1093 | ALA | 0 | 0.046 | 0.002 | 51.199 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 1094 | VAL | 0 | -0.010 | 0.015 | 53.190 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 1095 | ARG | 1 | 0.836 | 0.904 | 56.804 | 5.567 | 5.567 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 1096 | ARG | 1 | 0.835 | 0.924 | 49.269 | 6.430 | 6.430 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 1097 | ALA | 0 | 0.031 | 0.027 | 56.369 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 1098 | ALA | 0 | -0.001 | -0.001 | 57.978 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 1099 | LEU | 0 | -0.012 | -0.008 | 58.127 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 1100 | ILE | 0 | 0.026 | 0.006 | 55.026 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 1101 | ASN | 0 | -0.019 | -0.035 | 59.686 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 1102 | MET | 0 | -0.012 | 0.000 | 62.885 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 1103 | VAL | 0 | -0.009 | -0.018 | 60.186 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 1104 | PHE | 0 | 0.001 | -0.010 | 58.943 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 1105 | GLN | 0 | -0.001 | 0.021 | 63.922 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 1106 | MET | 0 | -0.076 | -0.025 | 66.730 | 0.092 | 0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 1107 | GLY | 0 | 0.074 | 0.049 | 64.420 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 1108 | GLU | -1 | -0.828 | -0.925 | 59.495 | -5.415 | -5.415 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 1109 | THR | 0 | 0.011 | -0.009 | 63.033 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 1110 | GLY | 0 | 0.031 | 0.030 | 65.878 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 1111 | VAL | 0 | -0.005 | -0.012 | 62.991 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 1112 | ALA | 0 | -0.020 | -0.019 | 63.700 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 1113 | GLY | 0 | 0.029 | 0.029 | 65.177 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 1114 | PHE | 0 | -0.005 | 0.000 | 67.132 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 1115 | THR | 0 | -0.006 | -0.022 | 66.641 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 1116 | ASN | 0 | 0.014 | 0.009 | 66.840 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 1117 | SER | 0 | 0.073 | 0.022 | 67.129 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 1118 | LEU | 0 | 0.007 | 0.013 | 61.995 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 1119 | ARG | 1 | 0.931 | 0.975 | 62.288 | 4.740 | 4.740 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 1120 | MET | 0 | -0.034 | -0.009 | 62.829 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 1121 | LEU | 0 | -0.004 | -0.002 | 61.063 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 1122 | GLN | 0 | -0.036 | -0.011 | 57.462 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 1123 | GLN | 0 | 0.002 | -0.015 | 58.291 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 1124 | LYS | 1 | 0.847 | 0.927 | 54.932 | 5.800 | 5.800 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 1125 | ARG | 1 | 0.844 | 0.923 | 60.721 | 4.902 | 4.902 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 1126 | TRP | 0 | 0.027 | -0.004 | 58.203 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 1127 | ASP | -1 | -0.765 | -0.877 | 64.983 | -4.692 | -4.692 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 1128 | GLU | -1 | -0.785 | -0.861 | 68.482 | -4.666 | -4.666 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 1129 | ALA | 0 | 0.024 | 0.013 | 66.034 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 1130 | ALA | 0 | -0.014 | -0.007 | 68.067 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 1131 | VAL | 0 | 0.027 | 0.009 | 69.592 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 1132 | ASN | 0 | -0.070 | -0.057 | 70.758 | 0.088 | 0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 1133 | LEU | 0 | -0.035 | -0.013 | 66.799 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 1134 | ALA | 0 | -0.005 | 0.013 | 71.539 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 1135 | LYS | 1 | 0.932 | 0.992 | 74.338 | 4.243 | 4.243 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 1136 | SER | 0 | 0.004 | -0.023 | 73.681 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 1137 | ARG | 1 | 0.995 | 0.983 | 76.066 | 4.083 | 4.083 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 1138 | TRP | 0 | 0.038 | 0.003 | 67.846 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 1139 | TYR | 0 | 0.034 | 0.014 | 73.619 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 1140 | ASN | 0 | -0.023 | -0.030 | 75.309 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 1141 | GLN | 0 | 0.032 | 0.024 | 76.183 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 1142 | THR | 0 | -0.025 | 0.006 | 73.279 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 1143 | PRO | 0 | 0.051 | 0.035 | 73.929 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 1144 | ASN | 0 | 0.019 | -0.005 | 73.954 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 1145 | ARG | 1 | 0.804 | 0.898 | 65.942 | 4.795 | 4.795 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 1146 | ALA | 0 | 0.025 | 0.026 | 69.386 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 1147 | LYS | 1 | 0.939 | 0.964 | 69.906 | 4.241 | 4.241 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 1148 | ARG | 1 | 0.840 | 0.934 | 67.508 | 4.661 | 4.661 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 1149 | VAL | 0 | 0.025 | 0.033 | 64.436 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 1150 | ILE | 0 | -0.003 | -0.004 | 65.378 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 1151 | THR | 0 | -0.058 | -0.039 | 66.900 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 1152 | THR | 0 | -0.033 | -0.026 | 61.279 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 1153 | PHE | 0 | 0.010 | -0.008 | 60.757 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 1154 | ARG | 1 | 0.855 | 0.922 | 62.946 | 4.655 | 4.655 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 1155 | THR | 0 | -0.002 | -0.013 | 62.880 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 1156 | GLY | 0 | 0.007 | -0.004 | 58.952 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 1157 | THR | 0 | -0.108 | -0.074 | 58.352 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 1158 | TRP | 0 | 0.091 | 0.022 | 55.843 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 1159 | ASP | -1 | -0.776 | -0.863 | 61.539 | -5.140 | -5.140 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 1160 | ALA | 0 | -0.026 | -0.002 | 64.765 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 1161 | TYR | 0 | -0.033 | -0.057 | 63.420 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 228 | SER | 0 | -0.031 | 0.003 | 61.449 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 229 | GLY | 0 | 0.082 | 0.034 | 63.491 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 230 | SER | 0 | 0.019 | 0.021 | 66.063 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 231 | GLY | 0 | 0.038 | 0.022 | 64.186 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 232 | HIS | 0 | -0.033 | -0.029 | 64.951 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 233 | GLN | 0 | 0.019 | 0.001 | 63.509 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 234 | LYS | 1 | 0.785 | 0.882 | 59.504 | 5.190 | 5.190 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 235 | ARG | 1 | 0.852 | 0.928 | 54.940 | 5.710 | 5.710 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 236 | LYS | 1 | 0.895 | 0.937 | 52.298 | 5.831 | 5.831 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 237 | ALA | 0 | -0.031 | -0.010 | 51.352 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 238 | LEU | 0 | 0.064 | 0.017 | 45.955 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 239 | LYN | 0 | 0.069 | 0.042 | 45.919 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 240 | PRO | 0 | 0.044 | 0.017 | 45.204 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 241 | THR | 0 | 0.017 | 0.015 | 42.444 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 242 | VAL | 0 | 0.007 | 0.004 | 41.123 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 243 | ILE | 0 | 0.008 | 0.008 | 40.216 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 244 | LEU | 0 | 0.016 | 0.010 | 39.292 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 245 | ILE | 0 | 0.002 | 0.001 | 36.386 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 246 | LEU | 0 | -0.005 | -0.009 | 35.601 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 247 | ALA | 0 | 0.015 | 0.013 | 34.843 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 248 | PHE | 0 | 0.050 | 0.014 | 31.439 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 249 | PHE | 0 | 0.014 | -0.011 | 30.494 | -0.279 | -0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 250 | ALA | 0 | -0.041 | -0.014 | 29.990 | -0.399 | -0.399 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 251 | CYS | 0 | -0.068 | -0.025 | 30.034 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 252 | TRP | 0 | 0.060 | 0.025 | 25.624 | -0.445 | -0.445 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 253 | LEU | 0 | -0.021 | -0.003 | 25.284 | -0.518 | -0.518 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 254 | PRO | 0 | 0.010 | -0.002 | 24.208 | -0.592 | -0.592 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 255 | TYR | 0 | 0.029 | 0.015 | 21.191 | -0.775 | -0.775 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 256 | TYR | 0 | 0.007 | -0.013 | 20.572 | -0.592 | -0.592 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 257 | ILE | 0 | -0.024 | 0.001 | 20.155 | -0.694 | -0.694 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 258 | GLY | 0 | 0.020 | 0.011 | 17.915 | -0.896 | -0.896 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 259 | ILE | 0 | 0.054 | 0.012 | 16.037 | -1.386 | -1.386 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 260 | SER | 0 | -0.050 | -0.029 | 15.570 | -0.873 | -0.873 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 261 | ILE | 0 | -0.009 | 0.005 | 13.257 | -1.158 | -1.158 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 262 | ASP | -1 | -0.830 | -0.913 | 11.454 | -27.301 | -27.301 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 263 | SER | 0 | -0.021 | -0.015 | 10.623 | -2.320 | -2.320 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 264 | PHE | 0 | -0.028 | -0.030 | 11.059 | -1.078 | -1.078 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 265 | ILE | 0 | -0.001 | 0.007 | 6.336 | -1.820 | -1.820 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 266 | LEU | 0 | 0.003 | 0.011 | 6.316 | -6.619 | -6.619 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 267 | LEU | 0 | -0.054 | -0.031 | 7.180 | -2.441 | -2.441 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 268 | GLU | -1 | -0.822 | -0.891 | 1.720 | -143.103 | -150.796 | 26.502 | -11.370 | -7.439 | -0.140 |
405 | A | 269 | ILE | 0 | -0.037 | 0.001 | 5.852 | 1.125 | 1.125 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 270 | ILE | 0 | -0.053 | -0.019 | 8.378 | 2.306 | 2.306 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 271 | LYS | 1 | 0.856 | 0.911 | 3.613 | 47.179 | 47.424 | -0.001 | -0.065 | -0.179 | 0.000 |
408 | A | 272 | GLN | 0 | -0.005 | -0.001 | 6.389 | 2.302 | 2.302 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 273 | GLY | 0 | 0.054 | 0.033 | 6.207 | 2.815 | 2.815 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 275 | GLU | -1 | -0.927 | -0.948 | 8.795 | -19.570 | -19.570 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 276 | PHE | 0 | 0.000 | 0.008 | 9.978 | 1.926 | 1.926 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 277 | GLU | -1 | -0.868 | -0.945 | 6.148 | -39.516 | -39.516 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 278 | ASN | 0 | 0.013 | -0.017 | 10.139 | 0.586 | 0.586 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 279 | THR | 0 | -0.054 | -0.033 | 12.957 | 2.143 | 2.143 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 280 | VAL | 0 | -0.005 | -0.002 | 12.796 | 1.567 | 1.567 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 281 | HIS | 0 | 0.013 | 0.004 | 10.074 | 2.522 | 2.522 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 282 | LYS | 1 | 0.813 | 0.902 | 15.159 | 18.214 | 18.214 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 283 | TRP | 0 | -0.034 | -0.017 | 18.042 | 1.193 | 1.193 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 284 | ILE | 0 | 0.001 | 0.017 | 15.308 | 0.982 | 0.982 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 285 | SER | 0 | -0.009 | -0.010 | 18.615 | 0.793 | 0.793 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 286 | ILE | 0 | -0.034 | -0.015 | 21.017 | 0.813 | 0.813 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 287 | THR | 0 | -0.038 | -0.056 | 21.799 | 0.593 | 0.593 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 288 | GLU | -1 | -0.825 | -0.865 | 22.640 | -13.232 | -13.232 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 289 | ALA | 0 | -0.005 | -0.004 | 24.568 | 0.543 | 0.543 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 290 | LEU | 0 | -0.024 | -0.014 | 27.114 | 0.559 | 0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 291 | ALA | 0 | 0.035 | 0.021 | 27.011 | 0.464 | 0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 292 | PHE | 0 | 0.022 | 0.004 | 26.710 | 0.457 | 0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 293 | PHE | 0 | 0.014 | 0.006 | 30.868 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 294 | HIS | 0 | -0.049 | -0.020 | 31.673 | 0.526 | 0.526 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 295 | CYS | 0 | -0.007 | 0.010 | 33.933 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 296 | CYS | 0 | -0.027 | -0.013 | 36.612 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 297 | LEU | 0 | -0.025 | 0.002 | 35.502 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 298 | ASN | 0 | 0.016 | 0.002 | 39.572 | 0.363 | 0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 299 | PRO | 0 | 0.007 | 0.008 | 41.213 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 300 | ILE | 0 | 0.039 | 0.028 | 40.651 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 301 | LEU | 0 | -0.052 | -0.013 | 41.112 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 302 | TYR | 0 | -0.111 | -0.085 | 45.072 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 303 | ALA | 0 | 0.010 | 0.024 | 48.109 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |