FMODB ID: R9V18
Calculation Name: 5Y7O-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5Y7O
Chain ID: A
UniProt ID: A0A2D0
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 | OptHSide |
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 | 923 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -23818621.468004 |
---|---|
FMO2-HF: Nuclear repulsion | 23461687.702773 |
FMO2-HF: Total energy | -356933.765231 |
FMO2-MP2: Total energy | -357990.497338 |
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:29:ASP)
Summations of interaction energy for
fragment #1(A:29:ASP)
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. |
261.797 | 269.123 | 3.259 | -5.082 | -5.501 | -0.004 |
Interaction energy analysis for fragmet #1(A:29:ASP)
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 | 31 | SER | 0 | -0.139 | -0.069 | 3.639 | 0.174 | 3.657 | 0.013 | -1.736 | -1.759 | 0.003 |
4 | A | 32 | VAL | 0 | 0.045 | 0.007 | 5.874 | -2.446 | -2.446 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 33 | ASN | 0 | -0.031 | 0.005 | 9.545 | -0.622 | -0.622 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 34 | VAL | 0 | 0.011 | 0.004 | 12.584 | -0.875 | -0.875 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 35 | ALA | 0 | 0.020 | 0.024 | 16.218 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 36 | LEU | 0 | -0.026 | -0.018 | 19.473 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 37 | GLN | 0 | 0.007 | 0.004 | 23.065 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 38 | ALA | 0 | 0.028 | 0.029 | 26.153 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 39 | SER | 0 | -0.003 | 0.003 | 29.862 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 40 | PHE | 0 | -0.033 | -0.005 | 31.848 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 41 | ASP | -1 | -0.820 | -0.926 | 31.409 | 10.436 | 10.436 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 42 | ALA | 0 | 0.015 | 0.013 | 33.245 | -0.330 | -0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 43 | GLY | 0 | 0.017 | 0.001 | 34.980 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 44 | PRO | 0 | -0.026 | -0.013 | 36.328 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 45 | TYR | 0 | 0.084 | 0.030 | 32.012 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 46 | LEU | 0 | 0.034 | 0.010 | 36.110 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 47 | LEU | 0 | -0.015 | -0.004 | 39.449 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 48 | GLU | -1 | -0.889 | -0.949 | 33.601 | 9.476 | 9.476 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 49 | LEU | 0 | 0.016 | 0.006 | 36.185 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 50 | LEU | 0 | 0.027 | 0.020 | 39.223 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 51 | GLU | -1 | -0.792 | -0.882 | 40.993 | 7.082 | 7.082 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 52 | ALA | 0 | 0.015 | 0.009 | 37.657 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 53 | ALA | 0 | -0.040 | -0.023 | 39.738 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 54 | ALA | 0 | -0.085 | -0.044 | 42.464 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 55 | ALA | 0 | -0.019 | -0.008 | 40.428 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 56 | GLU | -1 | -0.765 | -0.856 | 40.183 | 7.989 | 7.989 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 57 | ASN | 0 | 0.014 | 0.042 | 43.001 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 58 | ALA | 0 | 0.033 | 0.016 | 46.573 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 59 | SER | 0 | -0.072 | -0.049 | 48.097 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 60 | SER | 0 | 0.024 | -0.015 | 46.763 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 61 | TYR | 0 | -0.019 | -0.029 | 46.577 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 62 | PHE | 0 | 0.058 | 0.025 | 49.111 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 63 | PRO | 0 | 0.053 | 0.048 | 51.471 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 64 | LEU | 0 | 0.010 | 0.009 | 45.422 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 65 | LEU | 0 | -0.014 | -0.004 | 49.076 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 66 | ASP | -1 | -0.888 | -0.936 | 50.717 | 5.794 | 5.794 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 67 | ARG | 1 | 0.951 | 0.984 | 51.122 | -6.143 | -6.143 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 68 | ILE | 0 | -0.031 | -0.016 | 46.390 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 69 | ALA | 0 | 0.037 | 0.043 | 49.732 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 70 | GLU | -1 | -0.934 | -0.956 | 52.521 | 5.804 | 5.804 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 71 | GLY | 0 | -0.012 | -0.002 | 48.878 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 72 | VAL | 0 | -0.072 | -0.049 | 46.932 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 73 | LEU | 0 | -0.039 | -0.033 | 41.731 | 0.135 | 0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 74 | ASP | -1 | -0.888 | -0.941 | 43.685 | 6.928 | 6.928 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 75 | ASP | -1 | -0.918 | -0.931 | 43.924 | 7.458 | 7.458 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 76 | ALA | 0 | -0.031 | -0.014 | 39.427 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 77 | VAL | 0 | 0.035 | 0.000 | 38.649 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 78 | THR | 0 | -0.047 | -0.013 | 33.579 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 79 | GLU | -1 | -0.797 | -0.918 | 30.918 | 10.378 | 10.378 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 80 | LYS | 1 | 0.835 | 0.897 | 31.186 | -10.078 | -10.078 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 81 | GLU | -1 | -0.932 | -0.941 | 34.275 | 8.409 | 8.409 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 82 | LEU | 0 | 0.041 | 0.025 | 37.237 | -0.179 | -0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 83 | TYR | 0 | 0.032 | 0.006 | 32.943 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 84 | ASP | -1 | -0.801 | -0.890 | 35.019 | 9.308 | 9.308 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 85 | ARG | 1 | 0.824 | 0.896 | 37.881 | -7.607 | -7.607 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 86 | PHE | 0 | 0.044 | 0.023 | 39.666 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 87 | LEU | 0 | -0.027 | -0.010 | 35.656 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 88 | THR | 0 | -0.114 | -0.087 | 40.297 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 89 | ILE | 0 | 0.010 | 0.013 | 42.835 | -0.191 | -0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 90 | VAL | 0 | 0.040 | 0.031 | 41.584 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 91 | GLN | 0 | -0.070 | -0.036 | 40.396 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 92 | ASP | -1 | -0.943 | -0.959 | 44.934 | 6.669 | 6.669 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 93 | GLU | -1 | -0.878 | -0.940 | 47.070 | 6.318 | 6.318 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 94 | GLY | 0 | -0.006 | 0.002 | 47.608 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 95 | HIS | 0 | -0.159 | -0.098 | 48.341 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 96 | ILE | 0 | 0.022 | 0.000 | 41.483 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 97 | ASN | 0 | -0.092 | -0.046 | 43.378 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 98 | ASP | -1 | -0.749 | -0.844 | 43.767 | 7.408 | 7.408 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 99 | ALA | 0 | -0.053 | -0.024 | 43.082 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 100 | ALA | 0 | -0.049 | -0.041 | 39.730 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 101 | ASP | -1 | -0.854 | -0.940 | 39.493 | 7.527 | 7.527 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 102 | LEU | 0 | 0.024 | 0.031 | 39.088 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 103 | SER | 0 | -0.058 | -0.047 | 34.774 | 0.303 | 0.303 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 104 | SER | 0 | -0.042 | -0.044 | 35.269 | 0.316 | 0.316 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 105 | PHE | 0 | 0.049 | 0.045 | 36.223 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 106 | LYS | 1 | 0.897 | 0.976 | 32.812 | -8.867 | -8.867 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 107 | PHE | 0 | 0.039 | 0.009 | 28.826 | 0.336 | 0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 108 | SER | 0 | -0.018 | -0.054 | 31.813 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 109 | LEU | 0 | 0.040 | 0.019 | 32.781 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 110 | ALA | 0 | -0.020 | 0.012 | 27.831 | 0.285 | 0.285 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 111 | ILE | 0 | -0.186 | -0.078 | 28.202 | 0.432 | 0.432 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 112 | ARG | 1 | 0.908 | 0.973 | 28.020 | -11.084 | -11.084 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 113 | SER | 0 | -0.024 | 0.011 | 31.001 | -0.233 | -0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 114 | ALA | 0 | 0.026 | 0.015 | 34.617 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 115 | VAL | 0 | 0.023 | 0.010 | 34.180 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 116 | PRO | 0 | -0.011 | 0.005 | 35.806 | -0.215 | -0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 117 | ARG | 1 | 0.922 | 0.963 | 38.548 | -7.177 | -7.177 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 118 | VAL | 0 | -0.008 | -0.004 | 39.785 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 119 | GLU | -1 | -0.840 | -0.921 | 38.603 | 8.032 | 8.032 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 120 | ALA | 0 | -0.017 | -0.004 | 40.788 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 121 | HIS | 0 | 0.002 | 0.012 | 43.982 | -0.240 | -0.240 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 122 | TYR | 0 | 0.024 | 0.008 | 40.058 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 123 | GLN | 0 | -0.026 | -0.021 | 40.200 | -0.289 | -0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 124 | TYR | 0 | 0.018 | 0.026 | 45.068 | -0.157 | -0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 125 | TYR | 0 | 0.048 | 0.017 | 48.004 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 126 | ASN | 0 | 0.019 | 0.003 | 43.666 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 127 | THR | 0 | -0.063 | -0.056 | 46.916 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 128 | SER | 0 | -0.092 | -0.050 | 49.660 | -0.177 | -0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 129 | VAL | 0 | -0.034 | -0.007 | 51.869 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 130 | GLU | -1 | -0.855 | -0.937 | 49.393 | 6.445 | 6.445 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 131 | PRO | 0 | -0.029 | -0.011 | 51.148 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 132 | ARG | 1 | 0.838 | 0.939 | 53.939 | -5.861 | -5.861 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 133 | LEU | 0 | 0.041 | 0.014 | 55.028 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 134 | GLY | 0 | -0.027 | 0.011 | 57.276 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 135 | THR | 0 | -0.053 | -0.042 | 58.437 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 136 | ALA | 0 | 0.037 | 0.016 | 55.372 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 137 | GLN | 0 | -0.069 | -0.042 | 56.436 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 138 | ASP | -1 | -0.913 | -0.970 | 59.282 | 5.260 | 5.260 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 139 | ALA | 0 | 0.015 | 0.010 | 55.363 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 140 | ALA | 0 | -0.013 | 0.012 | 54.953 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 141 | CYS | 0 | -0.004 | 0.005 | 56.308 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 142 | PRO | 0 | 0.008 | 0.015 | 51.703 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 143 | VAL | 0 | -0.031 | -0.031 | 51.530 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 144 | TRP | 0 | -0.023 | 0.001 | 54.209 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 145 | VAL | 0 | 0.003 | -0.004 | 56.033 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 146 | HIS | 0 | -0.053 | -0.020 | 58.261 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 147 | MET | 0 | -0.005 | -0.027 | 59.835 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 148 | ASP | -1 | -0.959 | -0.972 | 63.401 | 4.806 | 4.806 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 149 | GLY | 0 | 0.044 | 0.007 | 64.365 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 150 | MET | 0 | -0.049 | -0.012 | 61.440 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 151 | GLN | 0 | 0.043 | 0.022 | 60.833 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 152 | TYR | 0 | -0.014 | -0.002 | 62.158 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 154 | SER | 0 | -0.022 | 0.006 | 59.486 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 155 | PRO | 0 | 0.031 | 0.024 | 60.218 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 156 | THR | 0 | -0.054 | -0.030 | 62.266 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 157 | LEU | 0 | 0.005 | 0.016 | 64.852 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 166 | ALA | 0 | -0.010 | -0.022 | 62.987 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 167 | ASP | -1 | -0.960 | -0.976 | 62.554 | 5.033 | 5.033 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 168 | LEU | 0 | -0.063 | -0.016 | 56.676 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 169 | GLU | -1 | -0.843 | -0.942 | 60.535 | 5.342 | 5.342 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 170 | ALA | 0 | -0.019 | -0.011 | 59.283 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 171 | ARG | 1 | 0.963 | 0.989 | 57.490 | -5.591 | -5.591 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 172 | ASP | -1 | -0.861 | -0.950 | 56.627 | 5.666 | 5.666 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 173 | LEU | 0 | -0.072 | -0.013 | 51.600 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 174 | PRO | 0 | 0.004 | -0.014 | 48.724 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 175 | PHE | 0 | 0.005 | 0.001 | 46.695 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 176 | ASP | -1 | -0.738 | -0.814 | 48.573 | 6.151 | 6.151 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 177 | ARG | 1 | 0.797 | 0.879 | 45.383 | -6.884 | -6.884 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 178 | LYS | 1 | 0.893 | 0.947 | 52.690 | -5.672 | -5.672 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 179 | LEU | 0 | 0.044 | 0.025 | 56.373 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 180 | GLY | 0 | 0.029 | 0.016 | 58.019 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 181 | ASP | -1 | -0.962 | -0.975 | 60.795 | 5.048 | 5.048 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 182 | PRO | 0 | -0.036 | -0.027 | 60.828 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 183 | THR | 0 | 0.007 | 0.007 | 62.856 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 184 | ALA | 0 | -0.032 | -0.026 | 65.276 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 185 | PRO | 0 | -0.019 | 0.021 | 66.183 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 186 | LEU | 0 | 0.009 | 0.003 | 58.604 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 187 | ALA | 0 | 0.020 | 0.014 | 60.547 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 188 | ILE | 0 | -0.026 | -0.002 | 55.065 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 189 | LEU | 0 | -0.002 | 0.005 | 53.534 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 190 | TYR | 0 | 0.054 | 0.024 | 51.583 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 191 | ALA | 0 | 0.038 | -0.017 | 50.833 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 192 | ASP | -1 | -0.885 | -0.929 | 44.771 | 7.405 | 7.405 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 193 | VAL | 0 | -0.047 | -0.021 | 45.070 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 194 | ALA | 0 | -0.007 | 0.000 | 43.171 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 195 | SER | 0 | -0.006 | 0.012 | 45.118 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 196 | PRO | 0 | 0.083 | 0.038 | 47.415 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 197 | ALA | 0 | -0.097 | -0.047 | 50.405 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 198 | PHE | 0 | 0.012 | -0.008 | 50.135 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 199 | GLY | 0 | 0.036 | 0.021 | 52.505 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 200 | GLU | -1 | -0.889 | -0.930 | 53.660 | 5.716 | 5.716 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 201 | TYR | 0 | -0.124 | -0.095 | 56.102 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 202 | HIS | 0 | 0.117 | 0.066 | 54.824 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 203 | ARG | 1 | 0.839 | 0.882 | 55.190 | -5.924 | -5.924 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 204 | LYS | 1 | 0.932 | 0.928 | 58.355 | -5.290 | -5.290 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 205 | LEU | 0 | 0.020 | 0.015 | 58.527 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 206 | SER | 0 | -0.103 | -0.033 | 57.825 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 207 | ALA | 0 | -0.044 | -0.037 | 60.056 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 208 | MET | 0 | -0.042 | -0.019 | 63.253 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 209 | ALA | 0 | 0.012 | -0.005 | 62.036 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 210 | LYN | 0 | -0.012 | 0.017 | 60.095 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 211 | GLU | -1 | -0.959 | -0.944 | 64.695 | 4.573 | 4.573 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 212 | GLY | 0 | -0.005 | 0.015 | 67.166 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 213 | GLN | 0 | -0.072 | -0.060 | 66.888 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 214 | VAL | 0 | -0.021 | -0.032 | 63.299 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 215 | SER | 0 | -0.020 | -0.002 | 61.400 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 216 | TYR | 0 | -0.006 | -0.052 | 55.223 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 217 | VAL | 0 | 0.041 | 0.026 | 53.649 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 218 | VAL | 0 | -0.026 | -0.007 | 50.015 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 219 | ARG | 1 | 0.764 | 0.841 | 49.785 | -5.916 | -5.916 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 220 | TYR | 0 | -0.009 | -0.027 | 44.325 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 221 | ARG | 1 | 0.846 | 0.916 | 47.671 | -6.477 | -6.477 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 222 | PRO | 0 | -0.031 | 0.008 | 43.920 | 0.140 | 0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 223 | PRO | 0 | 0.003 | 0.004 | 41.082 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 224 | PRO | 0 | 0.044 | 0.018 | 42.750 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 225 | SER | 0 | 0.048 | 0.011 | 40.011 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 226 | ALA | 0 | -0.026 | -0.010 | 37.883 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 227 | SER | 0 | -0.037 | -0.030 | 37.352 | 0.181 | 0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 228 | PHE | 0 | -0.003 | 0.014 | 35.823 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 229 | ARG | 1 | 0.820 | 0.906 | 31.609 | -9.212 | -9.212 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 230 | PRO | 0 | -0.001 | 0.006 | 27.890 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 231 | LEU | 0 | 0.014 | 0.021 | 29.448 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 232 | PHE | 0 | 0.014 | 0.002 | 22.377 | 0.301 | 0.301 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 233 | LEU | 0 | -0.004 | 0.004 | 25.396 | -0.284 | -0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 234 | ALA | 0 | 0.034 | -0.013 | 24.372 | 0.569 | 0.569 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 235 | GLY | 0 | -0.057 | -0.034 | 25.216 | -0.447 | -0.447 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 236 | TYR | 0 | -0.008 | -0.006 | 20.210 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 237 | GLY | 0 | -0.017 | -0.017 | 21.164 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 238 | VAL | 0 | 0.003 | -0.001 | 15.901 | -0.314 | -0.314 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 239 | GLU | -1 | -0.896 | -0.939 | 17.483 | 14.511 | 14.511 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 240 | LEU | 0 | 0.033 | -0.001 | 11.708 | 0.745 | 0.745 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 241 | THR | 0 | 0.015 | 0.013 | 15.741 | 0.579 | 0.579 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 242 | LEU | 0 | -0.009 | 0.000 | 15.410 | 0.601 | 0.601 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 243 | LYS | 1 | 0.791 | 0.916 | 17.203 | -15.655 | -15.655 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 244 | ARG | 1 | 0.909 | 0.944 | 17.473 | -15.521 | -15.521 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 245 | THR | 0 | 0.000 | -0.018 | 15.412 | 0.988 | 0.988 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 246 | ASP | -1 | -0.752 | -0.853 | 17.352 | 16.133 | 16.133 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 247 | TYR | 0 | -0.031 | 0.032 | 17.555 | -0.592 | -0.592 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 248 | ILE | 0 | -0.030 | -0.026 | 19.454 | -0.468 | -0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 249 | MET | 0 | 0.008 | 0.015 | 23.090 | -0.137 | -0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 250 | ILE | 0 | -0.035 | -0.016 | 26.375 | -0.412 | -0.412 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 283 | ASP | -1 | -0.891 | -0.951 | 7.917 | 32.023 | 32.023 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 284 | LEU | 0 | 0.007 | 0.025 | 9.218 | 1.334 | 1.334 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 285 | LYS | 1 | 0.827 | 0.864 | 11.596 | -18.492 | -18.492 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 286 | PRO | 0 | 0.004 | 0.026 | 13.188 | -1.095 | -1.095 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 287 | LEU | 0 | -0.004 | 0.012 | 16.014 | -0.553 | -0.553 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 288 | SER | 0 | 0.019 | -0.014 | 19.805 | 0.248 | 0.248 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 289 | SER | 0 | -0.016 | 0.013 | 23.029 | -0.267 | -0.267 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 290 | SER | 0 | 0.032 | -0.006 | 26.789 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 291 | GLU | -1 | -0.917 | -0.962 | 27.220 | 11.213 | 11.213 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 292 | VAL | 0 | 0.040 | -0.001 | 26.523 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 293 | ALA | 0 | -0.027 | -0.014 | 29.072 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 294 | ARG | 1 | 0.867 | 0.930 | 29.311 | -10.598 | -10.598 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 295 | LEU | 0 | 0.028 | 0.025 | 23.523 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 296 | GLY | 0 | 0.021 | 0.018 | 27.189 | 0.293 | 0.293 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 297 | MET | 0 | -0.016 | -0.016 | 29.228 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 298 | ASN | 0 | 0.026 | -0.009 | 28.399 | -0.392 | -0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 299 | ALA | 0 | 0.007 | 0.010 | 25.687 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 300 | ALA | 0 | 0.032 | 0.011 | 26.781 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 301 | SER | 0 | 0.022 | 0.012 | 29.267 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 302 | PHE | 0 | 0.055 | 0.036 | 22.479 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 303 | ILE | 0 | -0.049 | -0.025 | 24.872 | 0.219 | 0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 304 | LEU | 0 | -0.061 | -0.032 | 26.955 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 305 | ASP | -1 | -0.787 | -0.855 | 29.309 | 9.999 | 9.999 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 306 | SER | 0 | -0.107 | -0.030 | 25.387 | 0.259 | 0.259 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 307 | PRO | 0 | 0.001 | -0.017 | 26.160 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 308 | ASP | -1 | -0.879 | -0.932 | 25.684 | 12.145 | 12.145 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 309 | PRO | 0 | 0.047 | 0.032 | 25.636 | 0.516 | 0.516 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 310 | PHE | 0 | 0.061 | 0.020 | 25.604 | 0.494 | 0.494 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 311 | ALA | 0 | -0.018 | -0.012 | 22.073 | 0.612 | 0.612 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 312 | THR | 0 | -0.020 | -0.024 | 21.319 | 1.070 | 1.070 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 313 | LEU | 0 | 0.009 | 0.001 | 21.469 | 0.547 | 0.547 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 314 | THR | 0 | -0.048 | -0.028 | 19.424 | 0.328 | 0.328 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 315 | LYS | 1 | 0.934 | 0.968 | 16.426 | -16.186 | -16.186 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 316 | LEU | 0 | 0.012 | 0.013 | 17.124 | 0.867 | 0.867 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 317 | SER | 0 | 0.002 | -0.008 | 19.041 | 0.250 | 0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 318 | GLN | 0 | -0.041 | -0.003 | 14.506 | -0.507 | -0.507 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 319 | ASP | -1 | -0.844 | -0.915 | 12.622 | 24.473 | 24.473 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 320 | PHE | 0 | 0.038 | 0.023 | 15.337 | 0.188 | 0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 321 | PRO | 0 | -0.009 | -0.008 | 16.083 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 322 | LYS | 1 | 0.885 | 0.921 | 9.778 | -29.957 | -29.957 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 323 | TYR | 0 | -0.032 | -0.005 | 13.679 | 0.543 | 0.543 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 324 | SER | 0 | 0.023 | 0.003 | 17.567 | -0.763 | -0.763 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 325 | SER | 0 | -0.007 | -0.009 | 19.587 | -0.524 | -0.524 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 326 | ALA | 0 | -0.028 | -0.006 | 19.412 | -0.464 | -0.464 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 327 | VAL | 0 | -0.015 | -0.007 | 21.369 | -0.729 | -0.729 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 328 | ALA | 0 | 0.052 | 0.035 | 23.830 | -0.679 | -0.679 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 329 | ALA | 0 | -0.084 | -0.041 | 25.712 | -0.668 | -0.668 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 330 | TYR | 0 | -0.072 | -0.074 | 26.915 | 0.142 | 0.142 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 331 | ASN | 0 | -0.056 | -0.024 | 28.843 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 332 | VAL | 0 | 0.023 | 0.012 | 31.769 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 333 | THR | 0 | -0.017 | -0.016 | 33.100 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 334 | GLN | 0 | -0.031 | -0.028 | 35.352 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 335 | GLU | -1 | -0.908 | -0.942 | 36.965 | 8.266 | 8.266 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 336 | PHE | 0 | -0.040 | -0.011 | 36.400 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 337 | LEU | 0 | -0.025 | -0.071 | 37.411 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 338 | ASP | -1 | -0.869 | -0.909 | 40.984 | 7.514 | 7.514 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 339 | GLU | -1 | -0.699 | -0.819 | 39.246 | 7.680 | 7.680 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 340 | TYR | 0 | -0.099 | -0.017 | 39.139 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 341 | TYR | 0 | -0.036 | -0.041 | 41.385 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 342 | ALA | 0 | -0.011 | 0.010 | 43.828 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 343 | ASN | 0 | 0.058 | 0.044 | 39.935 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 344 | ARG | 1 | 0.875 | 0.931 | 42.973 | -7.133 | -7.133 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 345 | ALA | 0 | -0.037 | -0.004 | 46.191 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 346 | ALA | 0 | -0.016 | -0.015 | 45.261 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 347 | SER | 0 | 0.060 | 0.025 | 40.391 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 348 | LEU | 0 | 0.043 | 0.044 | 41.931 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 349 | PRO | 0 | -0.101 | -0.043 | 38.372 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 350 | GLY | 0 | 0.006 | -0.007 | 38.771 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 351 | GLY | 0 | 0.009 | -0.010 | 34.815 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 352 | ARG | 1 | 0.900 | 0.939 | 34.335 | -7.909 | -7.909 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 353 | ASN | 0 | -0.012 | 0.002 | 30.308 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 354 | VAL | 0 | -0.013 | -0.005 | 33.825 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 355 | LEU | 0 | 0.036 | 0.008 | 33.178 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 356 | TRP | 0 | -0.029 | -0.014 | 36.695 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 357 | ILE | 0 | 0.079 | 0.036 | 37.538 | 0.231 | 0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 358 | ASN | 0 | 0.020 | -0.019 | 40.386 | -0.120 | -0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 359 | GLY | 0 | -0.026 | 0.003 | 42.386 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 360 | LEU | 0 | 0.040 | 0.012 | 43.611 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 361 | GLN | 0 | -0.071 | -0.045 | 40.162 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 362 | ILE | 0 | 0.028 | 0.028 | 36.790 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 363 | ASP | -1 | -0.819 | -0.903 | 38.400 | 8.202 | 8.202 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 364 | SER | 0 | -0.023 | -0.031 | 34.024 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 365 | ARG | 1 | 0.850 | 0.908 | 33.650 | -7.708 | -7.708 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 366 | GLN | 0 | 0.001 | 0.007 | 35.086 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 367 | VAL | 0 | -0.033 | 0.012 | 30.665 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 368 | ASP | -1 | -0.790 | -0.894 | 30.513 | 9.933 | 9.933 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 369 | ALA | 0 | 0.017 | 0.000 | 29.030 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 370 | TYR | 0 | 0.000 | 0.016 | 29.280 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 371 | SER | 0 | 0.023 | -0.027 | 34.095 | -0.327 | -0.327 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 372 | LEU | 0 | -0.056 | -0.034 | 31.918 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 373 | LEU | 0 | 0.003 | 0.024 | 34.656 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 374 | GLU | -1 | -0.899 | -0.954 | 36.380 | 7.695 | 7.695 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 375 | HIS | 0 | -0.050 | -0.039 | 39.041 | -0.262 | -0.262 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 376 | LEU | 0 | -0.068 | -0.027 | 36.091 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 377 | ARG | 1 | 0.862 | 0.897 | 39.729 | -7.921 | -7.921 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 378 | HIS | 0 | -0.023 | 0.012 | 42.284 | -0.214 | -0.214 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 379 | GLU | -1 | -0.813 | -0.917 | 42.801 | 7.117 | 7.117 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 380 | ARG | 1 | 0.904 | 0.969 | 38.030 | -8.281 | -8.281 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 381 | GLN | 0 | 0.081 | 0.048 | 44.976 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 382 | PHE | 0 | 0.009 | 0.027 | 47.893 | -0.220 | -0.220 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 383 | ILE | 0 | 0.046 | 0.006 | 45.898 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 384 | GLY | 0 | -0.053 | 0.001 | 48.750 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 385 | GLN | 0 | -0.020 | -0.027 | 49.852 | -0.141 | -0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 386 | PHE | 0 | -0.005 | -0.022 | 52.441 | -0.184 | -0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 387 | ARG | 1 | 0.793 | 0.908 | 47.758 | -6.769 | -6.769 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 388 | LYS | 1 | 0.869 | 0.923 | 54.505 | -5.792 | -5.792 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 389 | LEU | 0 | -0.028 | -0.005 | 57.386 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 390 | GLY | 0 | -0.014 | 0.014 | 57.345 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 391 | LEU | 0 | -0.036 | -0.033 | 54.659 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 392 | SER | 0 | -0.042 | -0.048 | 52.651 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 393 | ASN | 0 | -0.022 | -0.054 | 48.886 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 394 | ILE | 0 | 0.078 | 0.056 | 47.896 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 395 | GLU | -1 | -0.794 | -0.872 | 49.429 | 5.806 | 5.806 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 396 | ALA | 0 | 0.041 | 0.025 | 51.315 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 397 | LEU | 0 | 0.006 | 0.005 | 45.564 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 398 | ASP | -1 | -0.985 | -0.993 | 49.703 | 6.314 | 6.314 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 399 | LEU | 0 | 0.010 | 0.018 | 51.042 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 400 | LEU | 0 | -0.034 | -0.002 | 49.837 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 401 | LEU | 0 | -0.039 | -0.042 | 48.491 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 402 | HIS | 0 | 0.020 | 0.037 | 53.053 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 415 | GLN | 0 | -0.020 | -0.023 | 61.520 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 416 | ARG | 1 | 0.718 | 0.834 | 65.251 | -4.804 | -4.804 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 417 | TYR | 0 | -0.021 | -0.010 | 67.114 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 418 | ASP | -1 | -0.826 | -0.938 | 71.684 | 4.157 | 4.157 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 419 | TRP | 0 | 0.021 | 0.012 | 72.951 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 420 | ARG | 1 | 0.782 | 0.889 | 76.291 | -4.115 | -4.115 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 421 | ASP | -1 | -0.786 | -0.923 | 79.937 | 3.895 | 3.895 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 422 | GLU | -1 | -0.918 | -0.954 | 82.396 | 3.874 | 3.874 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 423 | VAL | 0 | -0.044 | -0.016 | 81.159 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 424 | GLU | -1 | -0.813 | -0.886 | 83.463 | 3.891 | 3.891 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 425 | GLY | 0 | 0.018 | -0.007 | 86.926 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 426 | GLY | 0 | -0.005 | -0.003 | 86.884 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 427 | ASP | -1 | -0.877 | -0.931 | 86.900 | 3.603 | 3.603 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 428 | VAL | 0 | -0.039 | -0.001 | 82.419 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 429 | ILE | 0 | -0.061 | -0.025 | 79.563 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 430 | ILE | 0 | -0.044 | -0.027 | 82.317 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 431 | TRP | 0 | 0.021 | -0.001 | 77.600 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 432 | LEU | 0 | -0.054 | -0.021 | 78.854 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 433 | ASN | 0 | -0.034 | -0.027 | 79.256 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 434 | ASP | -1 | -0.737 | -0.852 | 81.342 | 3.813 | 3.813 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 435 | LEU | 0 | 0.057 | 0.045 | 77.441 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 436 | THR | 0 | -0.040 | -0.024 | 81.944 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 437 | LYS | 1 | 0.815 | 0.885 | 84.884 | -3.771 | -3.771 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 438 | ASP | -1 | -0.877 | -0.919 | 83.811 | 3.805 | 3.805 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 439 | LYS | 1 | 0.950 | 0.965 | 85.991 | -3.632 | -3.632 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 440 | ARG | 1 | 0.909 | 0.935 | 82.656 | -3.799 | -3.799 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 441 | TYR | 0 | 0.031 | 0.031 | 77.386 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 442 | SER | 0 | -0.097 | -0.056 | 82.618 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 443 | ASP | -1 | -0.892 | -0.949 | 85.367 | 3.651 | 3.651 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 444 | PHE | 0 | -0.032 | -0.005 | 79.933 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 445 | PRO | 0 | 0.014 | 0.007 | 82.174 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 446 | SER | 0 | 0.002 | -0.020 | 81.441 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 447 | ASP | -1 | -0.829 | -0.914 | 80.332 | 3.969 | 3.969 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 448 | ILE | 0 | -0.029 | -0.005 | 76.943 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 449 | ASP | -1 | -0.910 | -0.963 | 75.562 | 4.189 | 4.189 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 450 | ALA | 0 | -0.042 | -0.016 | 75.314 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 451 | LEU | 0 | -0.008 | -0.013 | 72.883 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 452 | LEU | 0 | -0.011 | -0.006 | 70.352 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 453 | GLN | 0 | -0.080 | -0.044 | 67.555 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 454 | PRO | 0 | 0.031 | 0.042 | 65.938 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 455 | THR | 0 | -0.015 | -0.008 | 65.235 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 456 | TYR | 0 | 0.061 | 0.005 | 59.977 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 457 | PRO | 0 | -0.128 | -0.051 | 65.025 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 458 | GLY | 0 | 0.018 | 0.001 | 68.105 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 459 | GLN | 0 | 0.026 | 0.014 | 64.412 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 460 | LEU | 0 | 0.047 | 0.032 | 68.520 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 461 | PRO | 0 | -0.023 | 0.002 | 71.477 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 462 | ALA | 0 | -0.039 | -0.026 | 74.581 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 463 | VAL | 0 | 0.063 | 0.034 | 77.315 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 464 | ARG | 1 | 0.789 | 0.901 | 79.119 | -3.767 | -3.767 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 465 | ARG | 1 | 0.810 | 0.905 | 78.636 | -4.062 | -4.062 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 466 | ASP | -1 | -0.832 | -0.903 | 78.861 | 4.119 | 4.119 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 467 | VAL | 0 | -0.002 | -0.015 | 73.040 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 468 | HIS | 0 | 0.087 | 0.054 | 69.242 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 469 | ASN | 0 | -0.076 | -0.058 | 73.410 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 470 | VAL | 0 | 0.005 | -0.004 | 71.115 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 471 | VAL | 0 | -0.027 | -0.021 | 73.475 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 472 | ILE | 0 | -0.002 | -0.018 | 72.391 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 473 | PRO | 0 | 0.007 | 0.020 | 72.809 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 474 | ILE | 0 | -0.012 | -0.039 | 74.439 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 475 | ASP | -1 | -0.732 | -0.836 | 76.210 | 4.091 | 4.091 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 476 | LEU | 0 | -0.053 | -0.031 | 77.851 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 477 | THR | 0 | -0.057 | -0.052 | 79.082 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 478 | ASN | 0 | -0.059 | -0.012 | 72.239 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 479 | GLU | -1 | -0.837 | -0.920 | 75.027 | 4.208 | 4.208 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 480 | ASP | -1 | -0.876 | -0.936 | 70.481 | 4.581 | 4.581 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 481 | ASP | -1 | -0.758 | -0.862 | 72.597 | 4.427 | 4.427 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 482 | VAL | 0 | 0.023 | 0.015 | 74.227 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 483 | TYR | 0 | -0.024 | 0.004 | 70.024 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 484 | MET | 0 | 0.007 | 0.008 | 69.222 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 485 | VAL | 0 | 0.023 | -0.003 | 73.028 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 486 | VAL | 0 | -0.016 | -0.012 | 76.229 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 487 | GLN | 0 | 0.008 | -0.003 | 72.372 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 488 | HIS | 0 | -0.001 | -0.004 | 70.180 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 489 | ILE | 0 | 0.053 | 0.036 | 72.052 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 490 | GLN | 0 | -0.040 | -0.010 | 74.919 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 491 | THR | 0 | -0.126 | -0.072 | 73.566 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 492 | PHE | 0 | 0.039 | 0.021 | 68.962 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 493 | ILE | 0 | 0.075 | 0.052 | 74.271 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 494 | LYS | 1 | 0.945 | 0.978 | 77.652 | -4.077 | -4.077 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 495 | ARG | 1 | 0.793 | 0.900 | 71.476 | -4.523 | -4.523 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 496 | LEU | 0 | -0.023 | -0.026 | 75.095 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 497 | ILE | 0 | 0.037 | 0.019 | 70.604 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 498 | PRO | 0 | -0.005 | 0.043 | 72.969 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 499 | VAL | 0 | -0.013 | -0.029 | 71.123 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 500 | ARG | 1 | 0.845 | 0.942 | 74.569 | -4.012 | -4.012 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 501 | PHE | 0 | 0.017 | -0.019 | 72.007 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 502 | GLY | 0 | 0.047 | 0.019 | 76.967 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 503 | LEU | 0 | -0.012 | 0.011 | 77.231 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 504 | VAL | 0 | 0.012 | 0.030 | 77.466 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 505 | PRO | 0 | -0.030 | -0.004 | 78.804 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 506 | LEU | 0 | 0.049 | -0.003 | 75.162 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 507 | VAL | 0 | -0.077 | -0.037 | 79.520 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 508 | HIS | 0 | -0.008 | -0.004 | 75.954 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 509 | SER | 0 | 0.018 | 0.007 | 79.946 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 510 | GLU | -1 | -0.927 | -0.966 | 82.152 | 3.666 | 3.666 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 511 | PRO | 0 | 0.029 | 0.000 | 83.348 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 512 | ALA | 0 | 0.027 | 0.027 | 80.852 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 513 | LYS | 1 | 0.939 | 0.977 | 82.803 | -3.760 | -3.760 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 514 | SER | 0 | 0.022 | 0.022 | 85.659 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 515 | GLN | 0 | 0.083 | 0.072 | 83.628 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 516 | ALA | 0 | 0.119 | 0.049 | 84.122 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 517 | LYS | 1 | 0.838 | 0.927 | 85.827 | -3.627 | -3.627 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 518 | ILE | 0 | 0.030 | 0.007 | 89.083 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 519 | ALA | 0 | -0.029 | -0.021 | 85.769 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 520 | ARG | 1 | 0.777 | 0.873 | 86.072 | -3.710 | -3.710 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 521 | TYR | -1 | -0.669 | -0.868 | 89.180 | 3.329 | 3.329 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 522 | LEU | 0 | 0.023 | 0.045 | 90.140 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 523 | GLN | 0 | -0.019 | -0.024 | 87.216 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 524 | MET | 0 | -0.015 | -0.017 | 91.112 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 525 | THR | 0 | -0.051 | -0.031 | 93.915 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 526 | HIS | 0 | -0.060 | -0.028 | 94.688 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 527 | GLY | 0 | 0.017 | -0.045 | 93.037 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 528 | LEU | 0 | 0.111 | 0.018 | 88.705 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 529 | ALA | 0 | 0.013 | 0.012 | 87.628 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 530 | ALA | 0 | -0.031 | -0.030 | 88.004 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 531 | MET | 0 | 0.077 | 0.093 | 83.703 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 532 | MET | 0 | 0.023 | 0.024 | 80.242 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 533 | LYS | 1 | 0.780 | 0.890 | 84.538 | -3.535 | -3.535 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 534 | TYR | 0 | -0.002 | 0.008 | 86.917 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 535 | PHE | 0 | 0.069 | 0.008 | 82.460 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 536 | GLN | 0 | -0.045 | -0.002 | 82.074 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 537 | ARG | 1 | 0.822 | 0.877 | 83.199 | -3.593 | -3.593 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 538 | ALA | 0 | -0.016 | -0.005 | 84.810 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 539 | LEU | 0 | 0.005 | 0.003 | 77.339 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 540 | GLU | -1 | -0.934 | -0.952 | 80.344 | 3.974 | 3.974 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 541 | LYS | 1 | 0.827 | 0.890 | 81.199 | -3.895 | -3.895 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 542 | ASP | -1 | -0.868 | -0.908 | 83.363 | 3.769 | 3.769 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 543 | LYS | 1 | 0.808 | 0.897 | 78.237 | -4.045 | -4.045 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 544 | LEU | 0 | 0.064 | 0.032 | 79.601 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 545 | ALA | 0 | -0.060 | -0.021 | 81.510 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 546 | ARG | 1 | 0.954 | 0.948 | 82.446 | -3.778 | -3.778 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 547 | PRO | 0 | -0.004 | 0.012 | 85.902 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 548 | ASP | -1 | -0.813 | -0.905 | 88.262 | 3.490 | 3.490 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 549 | GLN | 0 | -0.009 | -0.038 | 91.240 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 550 | ALA | 0 | -0.011 | -0.002 | 93.889 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 551 | LEU | 0 | -0.027 | -0.011 | 88.218 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 552 | PHE | 0 | -0.032 | -0.009 | 92.502 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 553 | ASP | -1 | -0.830 | -0.934 | 93.646 | 3.312 | 3.312 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 554 | GLU | -1 | -0.908 | -0.917 | 92.732 | 3.493 | 3.493 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 555 | THR | 0 | -0.073 | -0.046 | 90.617 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 556 | ILE | 0 | 0.054 | 0.071 | 93.911 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 557 | ALA | 0 | 0.004 | 0.016 | 96.642 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 558 | SER | 0 | -0.162 | -0.082 | 93.705 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 559 | ALA | 0 | 0.117 | 0.032 | 95.541 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 560 | ARG | 1 | 0.900 | 0.935 | 90.965 | -3.562 | -3.562 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 561 | VAL | 0 | -0.057 | -0.024 | 89.453 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 562 | LEU | 0 | -0.110 | -0.009 | 91.627 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 563 | ARG | 1 | 0.869 | 0.883 | 94.018 | -3.371 | -3.371 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 564 | GLY | 0 | 0.032 | 0.005 | 97.143 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 565 | LYS | 1 | 0.952 | 1.043 | 98.549 | -3.210 | -3.210 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 566 | ALA | 0 | 0.040 | 0.026 | 98.732 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 567 | GLN | 0 | -0.029 | -0.013 | 99.703 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 568 | SER | 0 | -0.015 | -0.006 | 98.870 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 569 | PHE | 0 | -0.083 | -0.043 | 98.870 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 570 | GLU | -1 | -0.938 | -0.969 | 98.961 | 3.180 | 3.180 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 571 | GLU | -1 | -0.916 | -0.926 | 97.320 | 3.311 | 3.311 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 572 | ALA | 0 | 0.041 | 0.026 | 94.765 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 573 | LEU | 0 | -0.070 | -0.049 | 94.971 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 574 | SER | 0 | -0.027 | -0.018 | 96.350 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 575 | SER | 0 | 0.096 | 0.018 | 96.275 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 576 | THR | 0 | -0.059 | -0.019 | 96.290 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 577 | THR | 0 | 0.014 | 0.006 | 92.775 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 578 | LEU | 0 | -0.042 | -0.015 | 91.899 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 579 | GLU | -1 | -0.879 | -0.950 | 90.739 | 3.527 | 3.527 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 580 | GLU | -1 | -0.788 | -0.901 | 89.737 | 3.680 | 3.680 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 581 | VAL | 0 | -0.033 | -0.006 | 87.942 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 582 | MET | 0 | -0.116 | -0.055 | 86.897 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 583 | ASP | -1 | -0.840 | -0.901 | 85.750 | 3.840 | 3.840 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 584 | LYS | 1 | 0.900 | 0.978 | 85.583 | -3.583 | -3.583 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 585 | THR | 0 | 0.028 | -0.021 | 83.042 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 586 | GLY | 0 | -0.029 | -0.005 | 82.226 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 587 | ARG | 1 | 0.943 | 0.952 | 81.594 | -3.867 | -3.867 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 588 | TYR | 0 | 0.050 | 0.007 | 77.600 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 589 | ILE | 0 | 0.018 | 0.002 | 77.121 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 590 | LYS | 1 | 0.783 | 0.902 | 76.787 | -3.851 | -3.851 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 591 | ARG | 1 | 0.728 | 0.895 | 77.155 | -4.027 | -4.027 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 592 | LEU | 0 | -0.010 | -0.034 | 73.814 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 593 | ASP | -1 | -0.914 | -0.921 | 71.193 | 4.589 | 4.589 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 594 | LEU | 0 | 0.009 | -0.004 | 72.198 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 595 | GLY | 0 | 0.000 | -0.005 | 74.050 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 596 | GLY | 0 | -0.005 | -0.011 | 72.918 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 597 | ARG | 1 | 0.912 | 0.941 | 69.806 | -4.595 | -4.595 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 598 | SER | 0 | 0.011 | -0.001 | 67.830 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 599 | PRO | 0 | 0.011 | 0.045 | 68.677 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 600 | PRO | 0 | 0.057 | 0.010 | 67.144 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 601 | VAL | 0 | -0.034 | -0.017 | 68.089 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 602 | LEU | 0 | 0.041 | 0.029 | 68.992 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 603 | ALA | 0 | -0.013 | 0.002 | 67.546 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 604 | ASN | 0 | -0.004 | -0.004 | 68.794 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 605 | GLY | 0 | 0.066 | 0.027 | 70.424 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 606 | VAL | 0 | -0.034 | -0.020 | 63.898 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 607 | LEU | 0 | 0.046 | 0.029 | 65.616 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 608 | LEU | 0 | -0.052 | -0.023 | 63.317 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 609 | GLY | 0 | 0.076 | 0.040 | 63.443 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 610 | ARG | 1 | 0.778 | 0.841 | 64.218 | -4.529 | -4.529 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 611 | GLY | 0 | -0.040 | -0.009 | 64.004 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 612 | ASP | -1 | -0.838 | -0.897 | 58.214 | 5.592 | 5.592 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 613 | ASN | 0 | -0.104 | -0.063 | 57.933 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 614 | PHE | 0 | 0.088 | 0.020 | 61.264 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 615 | LEU | 0 | 0.031 | 0.021 | 63.263 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 616 | GLN | 0 | 0.036 | 0.004 | 57.813 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 617 | GLU | -1 | -0.779 | -0.882 | 58.191 | 5.494 | 5.494 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 618 | LEU | 0 | -0.025 | 0.019 | 61.592 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 619 | SER | 0 | -0.046 | -0.041 | 63.593 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 620 | MET | 0 | -0.081 | -0.044 | 57.393 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 621 | ARG | 1 | 0.904 | 0.941 | 59.631 | -5.292 | -5.292 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 622 | VAL | 0 | 0.025 | 0.019 | 63.327 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 623 | ALA | 0 | 0.014 | 0.002 | 62.788 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 624 | ILE | 0 | -0.007 | -0.009 | 58.923 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 625 | ASP | -1 | -0.741 | -0.839 | 62.769 | 4.870 | 4.870 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 626 | LEU | 0 | -0.100 | -0.046 | 66.127 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 627 | GLN | 0 | -0.016 | -0.004 | 61.240 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 628 | LEU | 0 | 0.048 | 0.025 | 62.614 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 629 | ILE | 0 | 0.062 | 0.053 | 66.169 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 630 | GLN | 0 | -0.021 | -0.001 | 67.379 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 631 | GLN | 0 | -0.043 | -0.011 | 64.693 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 632 | SER | 0 | -0.070 | -0.052 | 67.284 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 633 | ILE | 0 | 0.032 | -0.008 | 70.398 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 634 | VAL | 0 | -0.106 | -0.054 | 67.519 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 635 | GLN | 0 | -0.126 | -0.060 | 66.283 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 636 | ASP | -1 | -0.864 | -0.944 | 69.482 | 4.624 | 4.624 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 637 | ALA | 0 | -0.032 | 0.031 | 72.539 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 638 | VAL | 0 | -0.081 | -0.025 | 74.801 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 639 | GLU | -1 | -0.875 | -0.948 | 77.828 | 3.998 | 3.998 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 640 | GLU | -1 | -0.822 | -0.941 | 80.314 | 3.977 | 3.977 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 641 | ASP | -1 | -0.972 | -0.970 | 82.186 | 3.728 | 3.728 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 642 | THR | 0 | 0.008 | 0.004 | 79.778 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 643 | TRP | 0 | -0.019 | -0.033 | 78.864 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 644 | LEU | 0 | 0.050 | 0.032 | 74.834 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 645 | PRO | 0 | 0.002 | 0.008 | 74.799 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 646 | SER | 0 | -0.050 | -0.036 | 75.018 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 647 | TYR | 0 | 0.013 | 0.004 | 67.997 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 648 | PHE | 0 | -0.029 | -0.025 | 68.577 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 649 | LEU | 0 | -0.029 | 0.010 | 71.030 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 650 | SER | 0 | -0.036 | -0.010 | 73.118 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 651 | GLN | 0 | -0.080 | -0.043 | 68.185 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 652 | ALA | 0 | 0.031 | -0.004 | 70.272 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 653 | ALA | 0 | -0.058 | -0.017 | 69.461 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 654 | LEU | 0 | -0.008 | -0.003 | 71.622 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 655 | THR | 0 | -0.017 | -0.028 | 74.096 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 656 | ARG | 0 | 0.044 | 0.011 | 73.228 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 657 | ASN | 0 | 0.082 | 0.054 | 70.159 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 658 | GLU | -1 | -0.768 | -0.867 | 66.863 | 4.765 | 4.765 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 659 | LEU | 0 | -0.082 | -0.040 | 65.973 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 660 | ILE | 0 | -0.020 | -0.022 | 65.820 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 661 | MET | 0 | 0.036 | 0.017 | 65.533 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 662 | PRO | 0 | -0.037 | 0.013 | 61.788 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 663 | GLN | 0 | -0.078 | -0.067 | 61.037 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 664 | ASP | -1 | -0.825 | -0.913 | 61.172 | 5.122 | 5.122 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 665 | PRO | 0 | 0.014 | 0.041 | 58.850 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 666 | SER | 0 | 0.028 | 0.022 | 56.483 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 667 | LYS | 1 | 0.840 | 0.891 | 56.912 | -5.094 | -5.094 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 668 | ILE | 0 | 0.003 | -0.004 | 57.917 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 669 | ARG | 1 | 0.830 | 0.910 | 57.980 | -5.095 | -5.095 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 670 | ILE | 0 | 0.022 | 0.019 | 57.373 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 671 | VAL | 0 | -0.033 | -0.013 | 58.179 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 672 | ASN | 0 | 0.085 | 0.029 | 58.534 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 673 | LEU | 0 | -0.070 | -0.027 | 53.643 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 674 | VAL | 0 | 0.051 | 0.013 | 55.363 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 675 | GLN | 0 | -0.039 | -0.011 | 57.926 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 676 | VAL | 0 | -0.065 | -0.005 | 58.480 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 677 | ALA | 0 | 0.008 | -0.015 | 61.054 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 678 | GLU | -1 | -0.910 | -0.949 | 62.844 | 4.813 | 4.813 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 679 | SER | 0 | 0.034 | 0.005 | 65.806 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 680 | HIS | 0 | -0.076 | -0.029 | 63.173 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 681 | ASP | -1 | -0.905 | -0.951 | 67.636 | 4.397 | 4.397 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 682 | LEU | 0 | -0.055 | -0.019 | 70.920 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 683 | THR | 0 | -0.028 | -0.009 | 72.766 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 694 | GLY | 0 | 0.031 | 0.006 | 77.938 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 695 | THR | 0 | -0.066 | -0.040 | 74.476 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 696 | ASN | 0 | 0.041 | 0.037 | 69.371 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 697 | SER | 0 | -0.027 | -0.021 | 71.234 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 698 | LEU | 0 | 0.035 | 0.018 | 67.576 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 699 | LEU | 0 | 0.059 | 0.021 | 68.522 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 700 | MET | 0 | 0.016 | 0.004 | 69.272 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 701 | ALA | 0 | 0.014 | 0.020 | 70.413 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 702 | VAL | 0 | 0.014 | -0.005 | 72.028 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 703 | VAL | 0 | -0.011 | 0.019 | 70.317 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 704 | GLY | 0 | 0.060 | -0.024 | 73.619 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 705 | ASP | -1 | -0.780 | -0.839 | 76.172 | 4.150 | 4.150 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 706 | PHE | 0 | -0.022 | -0.018 | 77.347 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 707 | ASP | -1 | -0.783 | -0.867 | 81.423 | 3.870 | 3.870 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 708 | SER | 0 | -0.045 | -0.050 | 80.602 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 709 | GLU | -1 | -0.867 | -0.932 | 80.071 | 4.025 | 4.025 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 710 | ALA | 0 | -0.020 | 0.002 | 78.318 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 711 | GLY | 0 | 0.006 | 0.016 | 79.367 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 712 | LEU | 0 | -0.019 | -0.039 | 80.738 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 713 | ASN | 0 | 0.038 | 0.017 | 81.992 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 714 | LEU | 0 | 0.066 | 0.067 | 74.714 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 715 | LEU | 0 | 0.017 | 0.022 | 79.222 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 716 | ILE | 0 | -0.035 | -0.036 | 80.597 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 717 | SER | 0 | -0.050 | -0.027 | 79.836 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 718 | ALA | 0 | 0.015 | -0.015 | 77.642 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 719 | LEU | 0 | -0.060 | -0.026 | 79.041 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 720 | LYS | 1 | 0.850 | 0.922 | 81.954 | -3.837 | -3.837 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 721 | PHE | 0 | 0.025 | 0.002 | 74.678 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 722 | ARG | 1 | 0.804 | 0.905 | 79.009 | -4.066 | -4.066 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 723 | LEU | 0 | -0.094 | -0.052 | 80.152 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 724 | ALA | 0 | -0.035 | -0.006 | 80.853 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 725 | HIS | 1 | 0.795 | 0.880 | 76.792 | -4.208 | -4.208 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 726 | PRO | 0 | -0.010 | 0.005 | 78.490 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 727 | GLU | -1 | -0.955 | -0.971 | 74.241 | 4.359 | 4.359 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 728 | ILE | 0 | -0.013 | -0.004 | 72.008 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 729 | GLU | -1 | -0.831 | -0.889 | 75.531 | 4.121 | 4.121 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 730 | VAL | 0 | -0.036 | -0.025 | 74.911 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 731 | VAL | 0 | 0.003 | -0.008 | 73.538 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 732 | PRO | 0 | -0.055 | -0.035 | 74.098 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 733 | LEU | 0 | 0.010 | 0.000 | 72.018 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 734 | HIS | 0 | 0.035 | 0.038 | 75.294 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 735 | THR | 0 | -0.014 | 0.005 | 72.350 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 736 | SER | 0 | 0.046 | 0.011 | 75.558 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 737 | ASP | -1 | -0.899 | -0.947 | 76.916 | 4.290 | 4.290 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 738 | ASP | -1 | -0.825 | -0.894 | 79.501 | 3.805 | 3.805 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 739 | GLU | -1 | -0.894 | -0.947 | 82.618 | 3.779 | 3.779 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 740 | THR | 0 | -0.149 | -0.094 | 81.314 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 741 | ASN | 0 | -0.047 | -0.028 | 83.299 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 742 | THR | 0 | -0.072 | -0.021 | 85.223 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 743 | HIS | 0 | -0.035 | -0.017 | 86.948 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 744 | VAL | 0 | -0.049 | -0.035 | 88.171 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 745 | SER | 0 | 0.024 | 0.004 | 84.030 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 746 | SER | 0 | 0.012 | -0.004 | 85.283 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 747 | GLN | 0 | -0.061 | -0.039 | 87.467 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 748 | LEU | 0 | -0.018 | -0.003 | 80.953 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 749 | TYR | 0 | 0.010 | -0.028 | 80.267 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 750 | GLN | 0 | -0.110 | -0.046 | 84.410 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 751 | LEU | 0 | 0.034 | 0.014 | 81.093 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 752 | LEU | 0 | -0.041 | 0.029 | 82.237 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 753 | ARG | 1 | 0.946 | 0.987 | 82.400 | -3.872 | -3.872 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 754 | THR | 0 | -0.065 | -0.052 | 85.905 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 755 | GLU | -1 | -0.883 | -0.866 | 84.852 | 3.774 | 3.774 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 756 | ARG | 1 | 0.870 | 0.912 | 85.241 | -3.768 | -3.768 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 757 | VAL | 0 | 0.020 | -0.035 | 86.492 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 758 | ASP | -1 | -0.752 | -0.885 | 82.306 | 4.022 | 4.022 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 759 | ALA | 0 | 0.036 | -0.042 | 82.008 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 760 | SER | 0 | 0.032 | 0.027 | 84.071 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 761 | GLU | -1 | -0.875 | -0.929 | 85.649 | 3.724 | 3.724 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 762 | ILE | 0 | -0.042 | -0.018 | 87.553 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 763 | LEU | 0 | 0.047 | 0.021 | 84.845 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 764 | GLU | -1 | -0.858 | -0.926 | 85.774 | 3.797 | 3.797 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 765 | LYS | 1 | 0.844 | 0.914 | 87.515 | -3.684 | -3.684 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 766 | ILE | 0 | -0.050 | -0.020 | 89.975 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 767 | GLN | 0 | 0.054 | 0.005 | 85.174 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 768 | ILE | 0 | 0.023 | 0.014 | 88.615 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 769 | ILE | 0 | -0.085 | -0.036 | 90.954 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 770 | LYS | 1 | 0.923 | 0.965 | 90.399 | -3.518 | -3.518 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 771 | SER | 0 | 0.017 | 0.032 | 89.718 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 772 | THR | 0 | -0.050 | -0.005 | 90.897 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 773 | SER | 0 | -0.063 | -0.048 | 91.834 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 784 | LEU | 0 | -0.048 | -0.044 | 82.978 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 785 | ALA | 0 | 0.023 | 0.002 | 78.146 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 786 | TYR | 0 | 0.029 | 0.025 | 77.548 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 787 | TRP | 0 | 0.078 | 0.017 | 76.153 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 788 | ALA | 0 | -0.056 | 0.003 | 74.807 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 789 | GLN | 0 | 0.074 | 0.032 | 70.388 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 790 | THR | 0 | -0.005 | -0.020 | 71.051 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 791 | LYS | 1 | 0.949 | 0.967 | 71.164 | -4.329 | -4.329 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 792 | GLN | 0 | -0.001 | 0.004 | 68.290 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 793 | LEU | 0 | 0.060 | 0.034 | 66.550 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 794 | ALA | 0 | -0.044 | -0.011 | 67.744 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 795 | ALA | 0 | -0.087 | -0.043 | 66.755 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | A | 796 | ASP | -1 | -0.880 | -0.941 | 62.644 | 5.185 | 5.185 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | A | 797 | LEU | 0 | -0.130 | -0.058 | 62.254 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | A | 798 | GLY | 0 | -0.048 | -0.021 | 63.418 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | A | 799 | TYR | 0 | 0.019 | 0.010 | 64.333 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | A | 800 | PRO | 0 | 0.057 | 0.040 | 65.418 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | A | 801 | SER | 0 | -0.047 | -0.030 | 68.202 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | A | 802 | GLY | 0 | 0.064 | 0.040 | 71.471 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | A | 803 | THR | 0 | -0.029 | -0.047 | 69.302 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | A | 804 | ARG | 1 | 0.806 | 0.905 | 70.707 | -4.471 | -4.471 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | A | 805 | GLY | 0 | 0.105 | 0.049 | 70.599 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | A | 806 | VAL | 0 | -0.023 | 0.001 | 70.706 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | A | 807 | LEU | 0 | -0.028 | 0.001 | 65.430 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | A | 808 | LEU | 0 | -0.020 | -0.021 | 67.009 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | A | 809 | ASN | 0 | 0.021 | 0.012 | 65.510 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | A | 810 | GLY | 0 | 0.045 | 0.025 | 62.232 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | A | 811 | ARG | 1 | 0.790 | 0.908 | 62.062 | -4.997 | -4.997 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | A | 812 | ALA | 0 | 0.010 | -0.013 | 62.848 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | A | 813 | VAL | 0 | 0.012 | 0.005 | 64.585 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | A | 814 | GLY | 0 | -0.065 | -0.039 | 65.232 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | A | 815 | PRO | 0 | 0.032 | 0.023 | 67.385 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | A | 816 | VAL | 0 | -0.039 | -0.056 | 69.048 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | A | 817 | PRO | 0 | -0.046 | 0.039 | 71.961 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | A | 818 | SER | 0 | 0.047 | 0.004 | 74.518 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | A | 819 | THR | 0 | 0.012 | -0.007 | 77.009 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | A | 820 | SER | 0 | -0.011 | -0.034 | 79.304 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | A | 821 | THR | 0 | 0.027 | 0.009 | 74.442 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | A | 822 | LEU | 0 | -0.029 | 0.005 | 72.285 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | A | 823 | ALA | 0 | 0.018 | 0.010 | 75.504 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | A | 824 | GLU | -1 | -0.816 | -0.931 | 76.919 | 3.999 | 3.999 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | A | 825 | ASP | -1 | -0.935 | -0.963 | 77.489 | 4.193 | 4.193 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | A | 826 | ASP | -1 | -0.792 | -0.902 | 73.336 | 4.412 | 4.412 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | A | 827 | LEU | 0 | -0.024 | -0.005 | 72.976 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | A | 828 | GLU | -1 | -0.892 | -0.939 | 72.785 | 4.312 | 4.312 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | A | 829 | ILE | 0 | -0.013 | 0.016 | 70.545 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | A | 830 | LEU | 0 | -0.073 | -0.040 | 67.561 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | A | 831 | LEU | 0 | 0.052 | 0.014 | 68.470 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | A | 832 | ALA | 0 | 0.102 | 0.075 | 68.660 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | A | 833 | TYR | 0 | -0.032 | -0.022 | 65.183 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | A | 834 | GLU | -1 | -0.780 | -0.872 | 63.378 | 5.209 | 5.209 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | A | 835 | PHE | 0 | -0.026 | -0.039 | 64.717 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | A | 836 | SER | 0 | -0.084 | -0.024 | 62.983 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | A | 837 | LYS | 1 | 0.870 | 0.928 | 57.816 | -5.554 | -5.554 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | A | 838 | ARG | 1 | 0.842 | 0.914 | 58.871 | -5.260 | -5.260 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | A | 839 | LEU | 0 | 0.037 | 0.020 | 60.857 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | A | 840 | GLY | 0 | 0.062 | 0.027 | 63.189 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | A | 841 | THR | 0 | -0.051 | -0.036 | 60.520 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | A | 842 | VAL | 0 | 0.027 | 0.029 | 59.743 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | A | 843 | ALA | 0 | 0.018 | 0.003 | 61.923 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | A | 844 | LYS | 1 | 0.879 | 0.934 | 64.537 | -4.796 | -4.796 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | A | 845 | VAL | 0 | 0.006 | -0.004 | 58.592 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | A | 846 | MET | 0 | -0.083 | -0.049 | 60.213 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | A | 847 | LYN | 0 | 0.026 | 0.045 | 59.908 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | A | 848 | ASP | -1 | -0.969 | -0.960 | 60.548 | 5.238 | 5.238 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | A | 849 | LEU | 0 | 0.019 | 0.014 | 55.283 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | A | 850 | ASN | 0 | -0.083 | -0.075 | 59.381 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | A | 851 | LEU | 0 | 0.000 | 0.003 | 61.757 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | A | 852 | GLY | 0 | 0.009 | 0.015 | 63.433 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | A | 853 | HIS | 0 | -0.016 | -0.041 | 64.529 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | A | 854 | LYS | 1 | 0.832 | 0.936 | 57.784 | -5.665 | -5.665 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | A | 855 | VAL | 0 | -0.004 | -0.003 | 60.923 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | A | 856 | ALA | 0 | -0.019 | 0.006 | 64.143 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
756 | A | 857 | GLY | 0 | -0.014 | -0.028 | 67.824 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
757 | A | 858 | SER | 0 | 0.063 | 0.039 | 67.926 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
758 | A | 859 | VAL | 0 | 0.041 | 0.008 | 66.874 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
759 | A | 860 | GLU | -1 | -0.856 | -0.921 | 63.756 | 5.061 | 5.061 | 0.000 | 0.000 | 0.000 | 0.000 |
760 | A | 861 | PHE | 0 | 0.014 | 0.006 | 63.101 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
761 | A | 862 | ALA | 0 | 0.054 | 0.023 | 63.637 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
762 | A | 863 | LYS | 1 | 0.854 | 0.932 | 60.624 | -5.116 | -5.116 | 0.000 | 0.000 | 0.000 | 0.000 |
763 | A | 864 | LEU | 0 | 0.010 | 0.010 | 57.620 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
764 | A | 865 | THR | 0 | -0.008 | -0.014 | 58.670 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
765 | A | 866 | SER | 0 | -0.015 | -0.019 | 59.025 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
766 | A | 867 | LEU | 0 | 0.001 | 0.015 | 54.408 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
767 | A | 868 | VAL | 0 | 0.059 | 0.018 | 54.323 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
768 | A | 869 | ALA | 0 | -0.085 | -0.036 | 54.910 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
769 | A | 870 | LEU | 0 | -0.014 | -0.006 | 52.231 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
770 | A | 871 | SER | 0 | -0.060 | -0.007 | 48.481 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
771 | A | 890 | SER | 0 | 0.039 | 0.008 | 48.289 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
772 | A | 891 | ALA | 0 | -0.020 | -0.022 | 45.056 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
773 | A | 892 | ILE | 0 | -0.006 | 0.015 | 46.823 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
774 | A | 893 | LYS | 1 | 0.938 | 0.960 | 47.029 | -6.588 | -6.588 | 0.000 | 0.000 | 0.000 | 0.000 |
775 | A | 894 | THR | 0 | 0.001 | 0.017 | 41.779 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
776 | A | 895 | TRP | 0 | 0.027 | -0.032 | 43.770 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
777 | A | 896 | ASN | 0 | -0.098 | -0.057 | 42.455 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
778 | A | 897 | GLY | 0 | 0.032 | 0.007 | 39.568 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
779 | A | 898 | ALA | 0 | 0.009 | 0.021 | 38.824 | 0.184 | 0.184 | 0.000 | 0.000 | 0.000 | 0.000 |
780 | A | 899 | HIS | 0 | -0.010 | 0.005 | 37.073 | 0.190 | 0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
781 | A | 900 | SER | 0 | -0.012 | -0.046 | 35.454 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
782 | A | 901 | ALA | 0 | -0.024 | -0.025 | 34.469 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
783 | A | 902 | ILE | 0 | -0.008 | 0.019 | 28.764 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
784 | A | 903 | THR | 0 | -0.028 | -0.025 | 32.102 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
785 | A | 904 | VAL | 0 | -0.021 | -0.021 | 29.725 | 0.245 | 0.245 | 0.000 | 0.000 | 0.000 | 0.000 |
786 | A | 905 | SER | 0 | -0.019 | 0.012 | 32.823 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
787 | A | 906 | HIS | 0 | 0.005 | 0.018 | 36.058 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
788 | A | 907 | SER | 0 | -0.010 | -0.010 | 39.642 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
789 | A | 908 | ASP | -1 | -0.909 | -0.958 | 41.987 | 7.484 | 7.484 | 0.000 | 0.000 | 0.000 | 0.000 |
790 | A | 909 | ASP | -1 | -0.909 | -0.935 | 44.850 | 6.864 | 6.864 | 0.000 | 0.000 | 0.000 | 0.000 |
791 | A | 910 | ALA | 0 | 0.039 | 0.050 | 40.598 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
792 | A | 911 | SER | 0 | -0.055 | -0.017 | 42.482 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
793 | A | 912 | ILE | 0 | -0.025 | -0.046 | 38.560 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
794 | A | 913 | ASN | 0 | 0.003 | 0.009 | 40.024 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
795 | A | 914 | ILE | 0 | 0.040 | 0.035 | 34.625 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
796 | A | 915 | VAL | 0 | -0.030 | 0.001 | 37.063 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
797 | A | 916 | ALA | 0 | 0.037 | 0.007 | 33.441 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
798 | A | 917 | THR | 0 | -0.009 | 0.005 | 34.518 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
799 | A | 918 | ILE | 0 | -0.037 | -0.029 | 27.767 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
800 | A | 919 | ASP | -1 | -0.842 | -0.920 | 29.625 | 10.728 | 10.728 | 0.000 | 0.000 | 0.000 | 0.000 |
801 | A | 920 | PRO | 0 | 0.001 | -0.013 | 26.514 | 0.319 | 0.319 | 0.000 | 0.000 | 0.000 | 0.000 |
802 | A | 921 | ALA | 0 | -0.002 | 0.004 | 25.009 | 0.544 | 0.544 | 0.000 | 0.000 | 0.000 | 0.000 |
803 | A | 922 | SER | 0 | -0.006 | 0.017 | 26.087 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
804 | A | 923 | GLU | -1 | -0.795 | -0.911 | 23.355 | 13.257 | 13.257 | 0.000 | 0.000 | 0.000 | 0.000 |
805 | A | 924 | ARG | 1 | 0.902 | 0.961 | 24.902 | -9.744 | -9.744 | 0.000 | 0.000 | 0.000 | 0.000 |
806 | A | 925 | SER | 0 | 0.015 | -0.007 | 25.371 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
807 | A | 926 | GLN | 0 | 0.016 | -0.005 | 18.980 | -0.349 | -0.349 | 0.000 | 0.000 | 0.000 | 0.000 |
808 | A | 927 | ARG | 1 | 0.863 | 0.933 | 22.725 | -11.165 | -11.165 | 0.000 | 0.000 | 0.000 | 0.000 |
809 | A | 928 | TRP | 0 | -0.058 | -0.016 | 24.784 | -0.188 | -0.188 | 0.000 | 0.000 | 0.000 | 0.000 |
810 | A | 929 | VAL | 0 | 0.048 | 0.012 | 23.498 | -0.187 | -0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
811 | A | 930 | PRO | 0 | 0.012 | 0.015 | 21.365 | -0.208 | -0.208 | 0.000 | 0.000 | 0.000 | 0.000 |
812 | A | 931 | ILE | 0 | 0.032 | 0.039 | 23.893 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
813 | A | 932 | LEU | 0 | 0.066 | 0.047 | 27.189 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
814 | A | 933 | ARG | 1 | 1.007 | 1.000 | 22.606 | -14.081 | -14.081 | 0.000 | 0.000 | 0.000 | 0.000 |
815 | A | 934 | THR | 0 | -0.034 | -0.035 | 25.830 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
816 | A | 935 | LEU | 0 | 0.011 | -0.020 | 27.725 | -0.315 | -0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
817 | A | 936 | SER | 0 | -0.066 | -0.014 | 29.348 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
818 | A | 937 | LYS | 1 | 0.845 | 0.931 | 27.291 | -11.564 | -11.564 | 0.000 | 0.000 | 0.000 | 0.000 |
819 | A | 938 | LEU | 0 | -0.002 | 0.002 | 30.542 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
820 | A | 939 | ASN | 0 | -0.033 | -0.023 | 33.326 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
821 | A | 940 | GLY | 0 | 0.060 | 0.024 | 36.432 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
822 | A | 941 | VAL | 0 | -0.024 | -0.027 | 34.927 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
823 | A | 942 | ASN | 0 | -0.025 | -0.024 | 35.513 | 0.350 | 0.350 | 0.000 | 0.000 | 0.000 | 0.000 |
824 | A | 943 | VAL | 0 | 0.046 | 0.015 | 31.099 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
825 | A | 944 | LYS | 1 | 0.909 | 0.967 | 34.044 | -8.166 | -8.166 | 0.000 | 0.000 | 0.000 | 0.000 |
826 | A | 945 | ILE | 0 | -0.004 | -0.003 | 28.936 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
827 | A | 946 | PHE | 0 | -0.004 | -0.012 | 33.034 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
828 | A | 947 | LEU | 0 | 0.042 | 0.033 | 28.935 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
829 | A | 948 | THR | 0 | -0.039 | -0.030 | 32.180 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
830 | A | 949 | PRO | 0 | 0.079 | 0.044 | 30.865 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
831 | A | 950 | VAL | 0 | -0.030 | -0.021 | 31.917 | -0.452 | -0.452 | 0.000 | 0.000 | 0.000 | 0.000 |
832 | A | 951 | ARG | 1 | 0.877 | 0.956 | 33.791 | -8.638 | -8.638 | 0.000 | 0.000 | 0.000 | 0.000 |
833 | A | 952 | ILE | 0 | 0.020 | 0.003 | 34.923 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
834 | A | 953 | LEU | 0 | -0.046 | 0.013 | 28.691 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
835 | A | 954 | GLN | 0 | -0.007 | -0.004 | 32.155 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
836 | A | 955 | GLU | -1 | -0.899 | -0.963 | 28.865 | 10.741 | 10.741 | 0.000 | 0.000 | 0.000 | 0.000 |
837 | A | 956 | LEU | 0 | -0.041 | -0.017 | 22.591 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
838 | A | 957 | PRO | 0 | 0.003 | 0.021 | 25.231 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
839 | A | 958 | ILE | 0 | -0.044 | -0.030 | 19.763 | 0.378 | 0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
840 | A | 959 | LYS | 1 | 0.881 | 0.958 | 20.451 | -11.565 | -11.565 | 0.000 | 0.000 | 0.000 | 0.000 |
841 | A | 960 | ARG | 1 | 0.820 | 0.873 | 17.657 | -13.898 | -13.898 | 0.000 | 0.000 | 0.000 | 0.000 |
842 | A | 961 | PHE | 0 | -0.039 | -0.015 | 12.708 | 0.233 | 0.233 | 0.000 | 0.000 | 0.000 | 0.000 |
843 | A | 962 | TYR | 0 | -0.004 | -0.021 | 15.875 | -0.696 | -0.696 | 0.000 | 0.000 | 0.000 | 0.000 |
844 | A | 963 | ARG | 1 | 0.825 | 0.893 | 9.747 | -26.142 | -26.142 | 0.000 | 0.000 | 0.000 | 0.000 |
845 | A | 964 | HIS | 0 | 0.065 | 0.031 | 17.306 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
846 | A | 965 | VAL | 0 | 0.043 | 0.047 | 18.993 | 0.215 | 0.215 | 0.000 | 0.000 | 0.000 | 0.000 |
847 | A | 966 | LEU | 0 | -0.044 | -0.052 | 21.317 | -0.816 | -0.816 | 0.000 | 0.000 | 0.000 | 0.000 |
848 | A | 967 | GLU | -1 | -0.871 | -0.909 | 21.531 | 14.732 | 14.732 | 0.000 | 0.000 | 0.000 | 0.000 |
849 | A | 968 | PRO | 0 | -0.032 | -0.042 | 25.339 | -0.356 | -0.356 | 0.000 | 0.000 | 0.000 | 0.000 |
850 | A | 969 | GLU | -1 | -0.870 | -0.941 | 27.977 | 9.525 | 9.525 | 0.000 | 0.000 | 0.000 | 0.000 |
851 | A | 970 | PRO | 0 | -0.010 | 0.021 | 27.507 | 0.539 | 0.539 | 0.000 | 0.000 | 0.000 | 0.000 |
852 | A | 971 | SER | 0 | -0.024 | -0.021 | 23.807 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
853 | A | 972 | PHE | 0 | -0.008 | -0.032 | 26.044 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
854 | A | 973 | ASP | -1 | -0.992 | -0.978 | 21.714 | 15.194 | 15.194 | 0.000 | 0.000 | 0.000 | 0.000 |
855 | A | 974 | GLU | -1 | -0.862 | -0.949 | 23.006 | 14.159 | 14.159 | 0.000 | 0.000 | 0.000 | 0.000 |
856 | A | 975 | HIS | 0 | -0.108 | -0.039 | 25.232 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
857 | A | 976 | GLY | 0 | -0.045 | -0.030 | 26.817 | -0.383 | -0.383 | 0.000 | 0.000 | 0.000 | 0.000 |
858 | A | 977 | ALA | 0 | -0.002 | -0.007 | 27.401 | -0.295 | -0.295 | 0.000 | 0.000 | 0.000 | 0.000 |
859 | A | 978 | LEU | 0 | 0.025 | 0.020 | 27.093 | 0.395 | 0.395 | 0.000 | 0.000 | 0.000 | 0.000 |
860 | A | 979 | ASN | 0 | 0.003 | 0.016 | 22.732 | 0.371 | 0.371 | 0.000 | 0.000 | 0.000 | 0.000 |
861 | A | 980 | ARG | 1 | 0.917 | 0.963 | 17.860 | -16.398 | -16.398 | 0.000 | 0.000 | 0.000 | 0.000 |
862 | A | 981 | PRO | 0 | 0.010 | 0.005 | 20.767 | 0.895 | 0.895 | 0.000 | 0.000 | 0.000 | 0.000 |
863 | A | 982 | GLY | 0 | -0.001 | -0.010 | 17.971 | -0.207 | -0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
864 | A | 983 | ALA | 0 | -0.053 | -0.023 | 15.133 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
865 | A | 984 | SER | 0 | 0.040 | -0.010 | 10.406 | -0.115 | -0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
866 | A | 985 | PHE | 0 | -0.069 | -0.044 | 9.443 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
867 | A | 986 | SER | 0 | 0.014 | 0.000 | 5.237 | 2.334 | 2.334 | 0.000 | 0.000 | 0.000 | 0.000 |
868 | A | 987 | ARG | 1 | 0.910 | 0.948 | 3.980 | -45.116 | -44.659 | -0.001 | -0.095 | -0.362 | 0.000 |
869 | A | 988 | LEU | 0 | 0.027 | 0.019 | 5.167 | -7.604 | -7.574 | -0.001 | -0.002 | -0.027 | 0.000 |
870 | A | 989 | PRO | 0 | -0.031 | -0.012 | 6.483 | 2.822 | 2.822 | 0.000 | 0.000 | 0.000 | 0.000 |
871 | A | 990 | GLU | -1 | -0.838 | -0.922 | 4.634 | 41.163 | 41.317 | -0.001 | -0.005 | -0.147 | 0.000 |
872 | A | 991 | ASP | -1 | -0.917 | -0.967 | 8.769 | 21.835 | 21.835 | 0.000 | 0.000 | 0.000 | 0.000 |
873 | A | 992 | ALA | 0 | -0.176 | -0.124 | 11.761 | -2.230 | -2.230 | 0.000 | 0.000 | 0.000 | 0.000 |
874 | A | 993 | LEU | 0 | -0.041 | -0.022 | 13.131 | 0.725 | 0.725 | 0.000 | 0.000 | 0.000 | 0.000 |
875 | A | 994 | LEU | 0 | 0.010 | 0.019 | 10.967 | -0.577 | -0.577 | 0.000 | 0.000 | 0.000 | 0.000 |
876 | A | 995 | THR | 0 | 0.032 | 0.016 | 14.814 | 0.197 | 0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
877 | A | 996 | LEU | 0 | -0.039 | -0.010 | 15.056 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
878 | A | 997 | GLY | 0 | 0.055 | 0.043 | 17.244 | -0.767 | -0.767 | 0.000 | 0.000 | 0.000 | 0.000 |
879 | A | 998 | MET | 0 | -0.038 | -0.018 | 19.752 | 0.942 | 0.942 | 0.000 | 0.000 | 0.000 | 0.000 |
880 | A | 999 | ASP | -1 | -0.854 | -0.923 | 22.256 | 11.964 | 11.964 | 0.000 | 0.000 | 0.000 | 0.000 |
881 | A | 1000 | VAL | 0 | 0.048 | 0.024 | 24.308 | 0.196 | 0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
882 | A | 1001 | PRO | 0 | -0.021 | -0.007 | 27.233 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
883 | A | 1002 | PRO | 0 | 0.027 | 0.000 | 31.049 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
884 | A | 1003 | SER | 0 | -0.017 | -0.005 | 33.433 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
885 | A | 1004 | TRP | 0 | 0.005 | -0.004 | 27.161 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
886 | A | 1005 | LEU | 0 | 0.034 | 0.033 | 31.078 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
887 | A | 1006 | VAL | 0 | -0.020 | -0.029 | 25.190 | 0.125 | 0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
888 | A | 1007 | SER | 0 | 0.008 | 0.032 | 26.515 | 0.268 | 0.268 | 0.000 | 0.000 | 0.000 | 0.000 |
889 | A | 1008 | PRO | 0 | -0.015 | 0.002 | 21.422 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
890 | A | 1009 | LYS | 1 | 0.895 | 0.933 | 22.188 | -12.252 | -12.252 | 0.000 | 0.000 | 0.000 | 0.000 |
891 | A | 1010 | GLU | -1 | -0.944 | -0.965 | 21.391 | 12.725 | 12.725 | 0.000 | 0.000 | 0.000 | 0.000 |
892 | A | 1011 | SER | 0 | -0.024 | -0.025 | 17.116 | 0.839 | 0.839 | 0.000 | 0.000 | 0.000 | 0.000 |
893 | A | 1012 | VAL | 0 | -0.057 | -0.031 | 14.809 | -0.491 | -0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
894 | A | 1013 | HIS | 0 | 0.001 | 0.009 | 11.333 | -0.491 | -0.491 | 0.000 | 0.000 | 0.000 | 0.000 |
895 | A | 1014 | ASP | -1 | -0.796 | -0.891 | 15.766 | 14.200 | 14.200 | 0.000 | 0.000 | 0.000 | 0.000 |
896 | A | 1015 | LEU | 0 | 0.030 | -0.001 | 15.441 | 0.861 | 0.861 | 0.000 | 0.000 | 0.000 | 0.000 |
897 | A | 1016 | ASP | -1 | -0.794 | -0.888 | 17.289 | 14.584 | 14.584 | 0.000 | 0.000 | 0.000 | 0.000 |
898 | A | 1017 | ASN | 0 | -0.155 | -0.088 | 16.847 | 0.313 | 0.313 | 0.000 | 0.000 | 0.000 | 0.000 |
899 | A | 1018 | ILE | 0 | 0.060 | 0.037 | 10.594 | 0.523 | 0.523 | 0.000 | 0.000 | 0.000 | 0.000 |
900 | A | 1019 | ARG | 1 | 0.845 | 0.931 | 10.752 | -19.539 | -19.539 | 0.000 | 0.000 | 0.000 | 0.000 |
901 | A | 1020 | LEU | 0 | 0.031 | 0.003 | 5.139 | -1.988 | -1.988 | 0.000 | 0.000 | 0.000 | 0.000 |
902 | A | 1021 | SER | 0 | 0.040 | 0.035 | 6.507 | 0.454 | 0.454 | 0.000 | 0.000 | 0.000 | 0.000 |
903 | A | 1022 | SER | 0 | -0.071 | -0.030 | 8.079 | -0.388 | -0.388 | 0.000 | 0.000 | 0.000 | 0.000 |
904 | A | 1023 | LEU | 0 | 0.073 | 0.053 | 6.015 | -1.850 | -1.850 | 0.000 | 0.000 | 0.000 | 0.000 |
905 | A | 1024 | ARG | 1 | 0.872 | 0.931 | 7.192 | -23.636 | -23.636 | 0.000 | 0.000 | 0.000 | 0.000 |
906 | A | 1025 | GLU | -1 | -0.814 | -0.915 | 2.517 | 48.802 | 51.307 | 1.507 | -1.830 | -2.182 | -0.018 |
907 | A | 1026 | GLY | 0 | -0.053 | 0.008 | 2.038 | -5.582 | -4.981 | 1.735 | -1.457 | -0.878 | 0.011 |
908 | A | 1027 | SER | 0 | -0.097 | -0.064 | 3.806 | -3.951 | -3.855 | 0.007 | 0.043 | -0.146 | 0.000 |
909 | A | 1028 | ASP | -1 | -0.742 | -0.861 | 5.320 | 39.792 | 39.792 | 0.000 | 0.000 | 0.000 | 0.000 |
910 | A | 1029 | VAL | 0 | -0.055 | -0.026 | 7.685 | -3.258 | -3.258 | 0.000 | 0.000 | 0.000 | 0.000 |
911 | A | 1030 | ASP | -1 | -0.856 | -0.910 | 10.981 | 25.163 | 25.163 | 0.000 | 0.000 | 0.000 | 0.000 |
912 | A | 1031 | ALA | 0 | -0.032 | -0.011 | 13.830 | -1.457 | -1.457 | 0.000 | 0.000 | 0.000 | 0.000 |
913 | A | 1032 | ILE | 0 | -0.028 | -0.033 | 16.560 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
914 | A | 1033 | TYR | 0 | 0.000 | -0.006 | 19.002 | -0.644 | -0.644 | 0.000 | 0.000 | 0.000 | 0.000 |
915 | A | 1034 | GLU | -1 | -0.848 | -0.927 | 22.756 | 11.268 | 11.268 | 0.000 | 0.000 | 0.000 | 0.000 |
916 | A | 1035 | LEU | 0 | -0.024 | -0.014 | 26.340 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
917 | A | 1036 | GLU | -1 | -0.911 | -0.960 | 29.159 | 10.004 | 10.004 | 0.000 | 0.000 | 0.000 | 0.000 |
918 | A | 1037 | HIS | 0 | -0.044 | -0.015 | 31.899 | -0.150 | -0.150 | 0.000 | 0.000 | 0.000 | 0.000 |
919 | A | 1038 | ILE | 0 | 0.010 | -0.007 | 33.455 | 0.200 | 0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
920 | A | 1039 | LEU | 0 | 0.007 | -0.015 | 35.427 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
921 | A | 1040 | ILE | 0 | -0.050 | -0.008 | 38.311 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
922 | A | 1041 | GLU | -1 | -0.945 | -0.967 | 41.928 | 7.435 | 7.435 | 0.000 | 0.000 | 0.000 | 0.000 |
923 | A | 1042 | GLY | 0 | -0.034 | -0.013 | 44.012 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |