![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 5JMMZ
Calculation Name: 4YUB-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4YUB
Chain ID: A
UniProt ID: Q6XQN6
Base Structure: X-ray
Registration Date: 2023-09-24
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 | 500 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -8458046.575403 |
---|---|
FMO2-HF: Nuclear repulsion | 8270625.986505 |
FMO2-HF: Total energy | -187420.588898 |
FMO2-MP2: Total energy | -187969.45816 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F038926/ligand_interaction/ligand_F038926.png)
Ligand Interaction
![ligand interaction](./Kdata/F038926/ligand_interaction/ligand_interaction_F038926.png)
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:16:LEU)
Summations of interaction energy for
fragment #1(A:16:LEU)
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. |
-6.475 | 0.447 | 2.726 | -3.165 | -6.48 | 0.005 |
Interaction energy analysis for fragmet #1(A:16:LEU)
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 | 18 | THR | 0 | -0.022 | -0.034 | 3.011 | -1.180 | 1.493 | 0.057 | -1.239 | -1.490 | 0.002 |
4 | A | 19 | ASP | -1 | -0.854 | -0.901 | 5.279 | -0.857 | -0.765 | -0.001 | -0.003 | -0.088 | 0.000 |
5 | A | 20 | LEU | 0 | 0.062 | 0.024 | 8.991 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 21 | TYR | 0 | 0.026 | 0.006 | 11.674 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 22 | GLN | 0 | 0.079 | 0.036 | 5.821 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 23 | ALA | 0 | 0.045 | 0.023 | 9.337 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 24 | THR | 0 | -0.018 | -0.013 | 10.743 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 25 | MET | 0 | -0.051 | -0.020 | 12.430 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 26 | ALA | 0 | 0.011 | -0.001 | 10.727 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 27 | LEU | 0 | 0.002 | 0.015 | 12.875 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 28 | GLY | 0 | 0.014 | 0.000 | 15.461 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 29 | TYR | 0 | -0.018 | -0.024 | 14.007 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 30 | TRP | 0 | -0.059 | -0.042 | 15.814 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 31 | ARG | 1 | 0.950 | 0.977 | 17.699 | 0.238 | 0.238 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 32 | ALA | 0 | -0.040 | -0.017 | 20.423 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 33 | GLY | 0 | -0.012 | 0.005 | 21.406 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 34 | ARG | 1 | 0.864 | 0.913 | 19.326 | 0.280 | 0.280 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 35 | ALA | 0 | -0.026 | -0.013 | 15.413 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 36 | ARG | 1 | 0.910 | 0.931 | 15.353 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 37 | ASP | -1 | -0.738 | -0.831 | 17.694 | -0.190 | -0.190 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 38 | ALA | 0 | -0.007 | 0.010 | 17.700 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 39 | ALA | 0 | -0.011 | -0.019 | 15.828 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 40 | GLU | -1 | -0.794 | -0.849 | 17.111 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 41 | PHE | 0 | -0.011 | -0.024 | 14.317 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 42 | GLU | -1 | -0.801 | -0.905 | 16.432 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 43 | LEU | 0 | 0.009 | 0.018 | 12.494 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 44 | PHE | 0 | 0.032 | 0.021 | 16.339 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 45 | PHE | 0 | 0.000 | -0.009 | 18.731 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 46 | ARG | 1 | 0.974 | 0.982 | 20.711 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 47 | ARG | 1 | 0.925 | 0.966 | 23.224 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 48 | CYS | 0 | 0.068 | 0.032 | 24.697 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 49 | PRO | 0 | -0.009 | 0.022 | 23.325 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 50 | PHE | 0 | 0.004 | -0.029 | 22.925 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 51 | GLY | 0 | -0.009 | 0.009 | 27.779 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 52 | GLY | 0 | 0.026 | 0.027 | 29.072 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 53 | ALA | 0 | -0.004 | -0.031 | 29.523 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 54 | PHE | 0 | -0.048 | -0.017 | 26.839 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 55 | ALA | 0 | -0.006 | -0.008 | 21.843 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 56 | LEU | 0 | -0.019 | -0.017 | 22.464 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 57 | ALA | 0 | 0.019 | 0.020 | 19.688 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 58 | ALA | 0 | -0.002 | -0.006 | 17.602 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 59 | GLY | 0 | 0.060 | 0.026 | 13.537 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 60 | LEU | 0 | 0.001 | 0.003 | 12.563 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 61 | ARG | 1 | 0.823 | 0.875 | 13.596 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 62 | ASP | -1 | -0.791 | -0.865 | 9.156 | 0.522 | 0.522 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 63 | CYS | 0 | 0.007 | 0.003 | 8.503 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 64 | VAL | 0 | 0.029 | 0.018 | 9.291 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 65 | ARG | 1 | 0.805 | 0.896 | 8.855 | -0.661 | -0.661 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 66 | PHE | 0 | 0.003 | 0.001 | 2.407 | -2.828 | -1.529 | 2.274 | -1.094 | -2.479 | 0.004 |
52 | A | 67 | LEU | 0 | -0.029 | -0.019 | 6.290 | 0.605 | 0.605 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 68 | ARG | 1 | 0.965 | 0.989 | 8.382 | -1.111 | -1.111 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 69 | ALA | 0 | -0.052 | -0.010 | 5.617 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 70 | PHE | 0 | 0.028 | 0.005 | 3.030 | 0.045 | 1.159 | 0.063 | -0.335 | -0.843 | 0.000 |
56 | A | 71 | ARG | 1 | 0.861 | 0.952 | 3.675 | -2.312 | -1.583 | 0.012 | -0.187 | -0.553 | -0.001 |
57 | A | 72 | LEU | 0 | 0.039 | -0.022 | 6.249 | -0.288 | -0.288 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 73 | ARG | 1 | 0.822 | 0.913 | 4.283 | -1.012 | -0.843 | 0.000 | -0.020 | -0.149 | 0.000 |
59 | A | 74 | ASP | -1 | -0.811 | -0.928 | 8.029 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 75 | ALA | 0 | 0.003 | -0.009 | 10.262 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 76 | ASP | -1 | -0.819 | -0.861 | 5.659 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 77 | VAL | 0 | -0.043 | -0.041 | 8.288 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 78 | GLN | 0 | -0.047 | -0.021 | 10.197 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 79 | PHE | 0 | 0.004 | 0.036 | 9.618 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 80 | LEU | 0 | 0.020 | -0.001 | 8.145 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 81 | ALA | 0 | 0.053 | 0.012 | 12.177 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 82 | SER | 0 | -0.077 | -0.042 | 15.223 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 83 | VAL | 0 | -0.054 | -0.025 | 13.820 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 84 | LEU | 0 | 0.005 | 0.001 | 15.447 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 85 | PRO | 0 | -0.004 | 0.010 | 18.203 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 86 | PRO | 0 | 0.019 | 0.026 | 19.909 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 87 | ASP | -1 | -0.998 | -1.001 | 21.817 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 88 | THR | 0 | -0.011 | -0.018 | 16.924 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 89 | ASP | -1 | -0.845 | -0.958 | 19.031 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 90 | PRO | 0 | -0.021 | 0.028 | 19.835 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 91 | ALA | 0 | 0.057 | 0.050 | 18.964 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 92 | PHE | 0 | -0.046 | -0.052 | 16.670 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 93 | PHE | 0 | 0.010 | -0.003 | 12.719 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 94 | GLU | -1 | -0.827 | -0.891 | 12.791 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 95 | HIS | 0 | 0.077 | 0.013 | 12.306 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 96 | LEU | 0 | -0.029 | -0.011 | 8.934 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 97 | ARG | 1 | 0.794 | 0.890 | 8.854 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 98 | ALA | 0 | -0.009 | 0.002 | 10.881 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 99 | LEU | 0 | -0.058 | -0.003 | 6.774 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 100 | ASP | -1 | -0.828 | -0.921 | 9.893 | 0.618 | 0.618 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 101 | CYS | 0 | -0.110 | -0.041 | 7.181 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 102 | SER | 0 | 0.040 | -0.010 | 9.936 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 103 | GLU | -1 | -0.965 | -0.985 | 13.746 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 104 | VAL | 0 | -0.026 | -0.011 | 10.517 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 105 | THR | 0 | -0.013 | -0.007 | 13.848 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 106 | VAL | 0 | -0.015 | -0.005 | 12.736 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 107 | ARG | 1 | 0.951 | 0.978 | 16.033 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 108 | ALA | 0 | 0.044 | 0.005 | 17.345 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 109 | LEU | 0 | 0.024 | 0.036 | 19.192 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 110 | PRO | 0 | 0.007 | 0.018 | 20.076 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 111 | GLU | -1 | -0.815 | -0.924 | 17.152 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 112 | GLY | 0 | -0.017 | -0.019 | 21.068 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 113 | SER | 0 | -0.012 | 0.003 | 23.414 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 114 | LEU | 0 | -0.007 | -0.014 | 24.033 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 115 | ALA | 0 | 0.021 | 0.009 | 22.867 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 116 | PHE | 0 | 0.027 | 0.011 | 24.771 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 117 | PRO | 0 | -0.011 | 0.006 | 24.406 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 118 | GLY | 0 | -0.014 | -0.014 | 24.446 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 119 | VAL | 0 | -0.031 | -0.006 | 24.570 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 120 | PRO | 0 | -0.036 | -0.015 | 20.221 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 121 | LEU | 0 | -0.007 | -0.007 | 17.245 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 122 | LEU | 0 | -0.002 | -0.014 | 13.100 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 123 | GLN | 0 | -0.061 | -0.041 | 17.149 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 124 | VAL | 0 | 0.024 | 0.015 | 11.312 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 125 | SER | 0 | -0.015 | -0.032 | 14.739 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 126 | GLY | 0 | 0.063 | 0.020 | 14.474 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 127 | PRO | 0 | 0.021 | 0.023 | 13.457 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 128 | LEU | 0 | -0.011 | -0.004 | 13.179 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 129 | LEU | 0 | -0.033 | 0.001 | 11.055 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 130 | VAL | 0 | -0.013 | -0.013 | 8.735 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 131 | VAL | 0 | 0.023 | 0.002 | 8.473 | -0.257 | -0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 132 | GLN | 0 | -0.027 | -0.005 | 10.199 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 133 | LEU | 0 | -0.007 | -0.003 | 5.546 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 134 | LEU | 0 | -0.015 | -0.012 | 4.856 | -0.897 | -0.897 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 135 | GLU | -1 | -0.875 | -0.941 | 6.443 | -0.574 | -0.574 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 136 | THR | 0 | 0.007 | 0.001 | 5.465 | 0.330 | 0.330 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 137 | PRO | 0 | 0.002 | 0.002 | 2.538 | -0.128 | 0.631 | 0.322 | -0.285 | -0.795 | 0.000 |
123 | A | 138 | LEU | 0 | 0.029 | 0.014 | 5.238 | 0.486 | 0.573 | -0.001 | -0.002 | -0.083 | 0.000 |
124 | A | 139 | LEU | 0 | 0.037 | 0.025 | 8.722 | 0.189 | 0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 140 | CYS | 0 | -0.044 | -0.002 | 7.335 | 0.234 | 0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 141 | LEU | 0 | -0.008 | -0.009 | 6.315 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 142 | VAL | 0 | 0.052 | 0.022 | 9.702 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 143 | SER | 0 | -0.056 | -0.026 | 12.610 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 144 | TYR | 0 | -0.036 | -0.017 | 12.395 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 145 | ALA | 0 | 0.028 | 0.011 | 13.747 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 146 | SER | 0 | 0.040 | 0.014 | 15.492 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 147 | LEU | 0 | -0.069 | -0.006 | 17.473 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 148 | VAL | 0 | -0.017 | -0.010 | 17.296 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 149 | ALA | 0 | 0.004 | 0.011 | 19.710 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 150 | THR | 0 | -0.016 | -0.027 | 21.690 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 151 | ASN | 0 | -0.016 | -0.004 | 23.029 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 152 | ALA | 0 | 0.030 | 0.016 | 24.103 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 153 | ALA | 0 | 0.007 | 0.019 | 25.823 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 154 | ARG | 1 | 0.747 | 0.825 | 27.600 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 155 | LEU | 0 | 0.023 | 0.016 | 27.205 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 156 | ARG | 1 | 0.828 | 0.919 | 29.964 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 157 | LEU | 0 | -0.076 | -0.046 | 31.685 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 158 | ILE | 0 | -0.031 | -0.010 | 32.750 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 159 | ALA | 0 | 0.012 | 0.010 | 34.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 160 | GLY | 0 | 0.000 | 0.014 | 35.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 161 | PRO | 0 | -0.032 | -0.011 | 35.663 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 162 | GLU | -1 | -0.867 | -0.957 | 36.554 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 163 | LYS | 1 | 0.921 | 0.961 | 35.858 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 164 | ARG | 1 | 0.933 | 0.967 | 33.161 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 165 | LEU | 0 | 0.024 | 0.033 | 34.302 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 166 | LEU | 0 | 0.026 | 0.022 | 30.105 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 167 | GLU | -1 | -0.760 | -0.867 | 28.597 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 168 | MET | 0 | -0.017 | 0.031 | 20.132 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 169 | GLY | 0 | 0.090 | 0.019 | 25.353 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 170 | LEU | 0 | -0.049 | -0.045 | 19.893 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 171 | ARG | 1 | 0.991 | 0.996 | 23.500 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 172 | ARG | 1 | 0.933 | 0.956 | 18.845 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 173 | ALA | 0 | -0.001 | 0.019 | 17.201 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 174 | GLN | 0 | 0.000 | -0.011 | 10.733 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 175 | GLY | 0 | 0.020 | 0.006 | 13.480 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 176 | PRO | 0 | 0.053 | 0.053 | 9.327 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 177 | ASP | -1 | -0.815 | -0.911 | 8.642 | 0.671 | 0.671 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 178 | GLY | 0 | -0.003 | -0.010 | 10.864 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 179 | GLY | 0 | 0.026 | -0.002 | 13.392 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 180 | LEU | 0 | 0.024 | 0.045 | 12.169 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 181 | THR | 0 | -0.001 | -0.010 | 11.515 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 182 | ALA | 0 | 0.035 | 0.017 | 14.669 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 183 | SER | 0 | 0.010 | -0.013 | 17.525 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 184 | THR | 0 | -0.019 | -0.007 | 16.708 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 185 | TYR | 0 | -0.026 | -0.063 | 13.619 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 186 | SER | 0 | 0.024 | 0.001 | 19.426 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 187 | TYR | 0 | -0.017 | 0.008 | 22.205 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 188 | LEU | 0 | -0.009 | -0.008 | 20.184 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 189 | GLY | 0 | 0.022 | -0.003 | 23.362 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 190 | GLY | 0 | -0.001 | 0.015 | 25.104 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 191 | PHE | 0 | 0.013 | -0.001 | 25.772 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 192 | ASP | -1 | -0.814 | -0.885 | 27.631 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 193 | SER | 0 | -0.102 | -0.072 | 26.846 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 194 | SER | 0 | -0.045 | -0.016 | 22.921 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 195 | SER | 0 | 0.090 | 0.034 | 24.743 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 196 | ASN | 0 | -0.059 | -0.032 | 18.031 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 197 | VAL | 0 | 0.112 | 0.044 | 20.982 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 198 | LEU | 0 | -0.020 | -0.005 | 15.448 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 199 | ALA | 0 | 0.009 | -0.005 | 18.067 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 200 | GLY | 0 | 0.033 | 0.024 | 19.121 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 201 | GLN | 0 | -0.076 | -0.030 | 19.866 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 202 | LEU | 0 | -0.028 | -0.006 | 14.754 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 203 | ARG | 1 | 0.820 | 0.887 | 12.783 | -0.374 | -0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 204 | GLY | 0 | 0.037 | 0.038 | 19.944 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 205 | VAL | 0 | -0.072 | -0.034 | 21.040 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 206 | PRO | 0 | 0.023 | 0.017 | 23.946 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 207 | VAL | 0 | 0.015 | -0.005 | 24.598 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 208 | ALA | 0 | -0.048 | -0.026 | 27.188 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 209 | GLY | 0 | 0.044 | 0.017 | 28.586 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 210 | THR | 0 | -0.028 | -0.022 | 29.610 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 211 | LEU | 0 | 0.020 | 0.026 | 32.210 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 212 | ALA | 0 | -0.003 | -0.026 | 31.990 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 213 | HIS | 0 | 0.042 | 0.009 | 33.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 214 | SER | 0 | -0.009 | -0.005 | 32.248 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 215 | PHE | 0 | -0.039 | -0.005 | 35.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 216 | VAL | 0 | 0.076 | 0.036 | 36.630 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 217 | THR | 0 | -0.022 | -0.017 | 38.176 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 218 | SER | 0 | -0.122 | -0.053 | 37.916 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 219 | PHE | 0 | 0.005 | 0.016 | 39.818 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 220 | SER | 0 | 0.017 | -0.003 | 43.447 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 221 | GLY | 0 | 0.014 | 0.001 | 46.695 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 222 | SER | 0 | -0.081 | -0.028 | 48.109 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 223 | GLU | -1 | -0.914 | -0.962 | 47.356 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 224 | VAL | 0 | 0.006 | -0.010 | 45.850 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 225 | PRO | 0 | 0.007 | 0.008 | 47.448 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 226 | PRO | 0 | -0.037 | -0.006 | 44.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 227 | ASP | -1 | -0.819 | -0.940 | 46.328 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 228 | PRO | 0 | -0.048 | 0.002 | 46.871 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 229 | MET | 0 | -0.072 | -0.034 | 49.171 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 230 | LEU | 0 | 0.001 | 0.013 | 46.117 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 231 | ALA | 0 | 0.035 | 0.002 | 47.899 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 232 | PRO | 0 | 0.058 | 0.032 | 49.694 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 233 | ALA | 0 | -0.039 | -0.008 | 48.428 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 234 | ALA | 0 | -0.007 | 0.011 | 49.823 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 235 | GLY | 0 | -0.007 | -0.035 | 51.950 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 236 | GLU | -1 | -0.946 | -0.951 | 52.144 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 237 | GLY | 0 | -0.002 | 0.001 | 53.857 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 238 | PRO | 0 | -0.034 | -0.014 | 54.312 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 239 | GLY | 0 | 0.012 | -0.001 | 52.006 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 240 | VAL | 0 | -0.027 | -0.036 | 52.885 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 241 | ASP | -1 | -0.797 | -0.921 | 52.222 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 242 | LEU | 0 | -0.034 | -0.015 | 47.245 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 243 | ALA | 0 | 0.033 | 0.024 | 50.366 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 244 | ALA | 0 | 0.022 | 0.003 | 51.797 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 245 | LYS | 1 | 0.797 | 0.889 | 54.010 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 246 | ALA | 0 | 0.025 | 0.006 | 51.090 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 247 | GLN | 0 | -0.055 | -0.026 | 53.151 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 248 | VAL | 0 | 0.024 | 0.006 | 55.847 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 249 | TRP | 0 | -0.026 | -0.020 | 55.143 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 250 | LEU | 0 | -0.014 | -0.008 | 53.143 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 251 | GLU | -1 | -0.951 | -0.973 | 56.086 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 252 | GLN | 0 | 0.003 | -0.002 | 59.144 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 253 | VAL | 0 | -0.020 | 0.003 | 53.859 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 254 | CYS | 0 | -0.036 | -0.019 | 56.678 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 255 | ALA | 0 | -0.008 | 0.004 | 58.374 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 256 | HIS | 0 | -0.010 | -0.005 | 57.118 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 257 | LEU | 0 | -0.060 | -0.036 | 53.909 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 258 | GLY | 0 | -0.041 | 0.006 | 58.626 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 259 | LEU | 0 | -0.082 | -0.043 | 54.934 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 260 | GLY | 0 | -0.026 | -0.013 | 59.229 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 261 | VAL | 0 | 0.058 | 0.006 | 57.954 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 262 | GLN | 0 | -0.007 | -0.008 | 56.875 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 263 | GLU | -1 | -0.843 | -0.893 | 54.953 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 264 | PRO | 0 | 0.004 | 0.013 | 51.847 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 265 | HIS | 0 | 0.047 | 0.045 | 46.715 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 266 | PRO | 0 | 0.025 | -0.008 | 49.334 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 267 | GLY | 0 | 0.037 | 0.017 | 46.542 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 268 | GLU | -1 | -0.756 | -0.887 | 44.096 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 269 | ARG | 1 | 0.881 | 0.952 | 44.949 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 270 | ALA | 0 | 0.049 | 0.022 | 45.922 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 271 | ALA | 0 | -0.019 | 0.011 | 41.065 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 272 | PHE | 0 | -0.105 | -0.055 | 41.972 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 273 | VAL | 0 | 0.053 | 0.023 | 43.409 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 274 | ALA | 0 | 0.003 | 0.002 | 41.704 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 275 | TYR | 0 | 0.003 | -0.015 | 35.721 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 276 | ALA | 0 | -0.031 | -0.018 | 40.423 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 277 | LEU | 0 | 0.011 | 0.001 | 43.143 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 278 | ALA | 0 | -0.043 | -0.002 | 38.067 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 279 | PHE | 0 | -0.082 | -0.043 | 34.198 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 280 | PRO | 0 | 0.054 | 0.036 | 39.938 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 281 | ARG | 1 | 0.906 | 0.937 | 41.468 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 282 | ALA | 0 | -0.024 | -0.016 | 37.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 283 | PHE | 0 | 0.044 | 0.032 | 39.045 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 284 | GLN | 0 | -0.059 | -0.036 | 35.605 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 285 | GLY | 0 | 0.066 | 0.035 | 40.433 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 286 | LEU | 0 | -0.046 | -0.012 | 36.824 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 287 | LEU | 0 | 0.007 | -0.008 | 40.177 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 288 | ASP | -1 | -0.765 | -0.898 | 40.066 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 289 | THR | 0 | -0.017 | 0.002 | 39.797 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 290 | TYR | 0 | 0.008 | 0.012 | 41.840 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 291 | SER | 0 | -0.034 | -0.002 | 45.386 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 292 | VAL | 0 | 0.080 | 0.033 | 44.736 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 293 | TRP | 0 | -0.062 | -0.023 | 47.218 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 294 | ARG | 1 | 0.913 | 0.912 | 50.911 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 295 | SER | 0 | -0.013 | -0.019 | 48.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 296 | GLY | 0 | 0.057 | 0.043 | 46.055 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 297 | LEU | 0 | -0.038 | -0.029 | 46.750 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 298 | PRO | 0 | 0.036 | 0.019 | 48.755 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 299 | ASN | 0 | 0.039 | 0.021 | 47.979 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 300 | PHE | 0 | -0.001 | -0.004 | 44.053 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 301 | LEU | 0 | -0.028 | -0.015 | 47.595 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 302 | ALA | 0 | 0.017 | 0.014 | 50.826 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 303 | VAL | 0 | -0.014 | -0.014 | 46.334 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 304 | ALA | 0 | -0.080 | -0.057 | 47.558 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 305 | LEU | 0 | -0.006 | 0.020 | 48.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 306 | ALA | 0 | 0.057 | 0.048 | 51.468 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 307 | LEU | 0 | -0.017 | -0.021 | 45.362 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 308 | GLY | 0 | 0.016 | 0.017 | 50.032 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 309 | GLU | -1 | -0.835 | -0.891 | 51.740 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 310 | LEU | 0 | -0.071 | -0.032 | 50.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 311 | GLY | 0 | -0.006 | 0.002 | 51.879 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 312 | TYR | 0 | -0.101 | -0.054 | 45.873 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 313 | ARG | 1 | 0.959 | 0.973 | 46.171 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 314 | ALA | 0 | 0.000 | 0.014 | 44.367 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 315 | VAL | 0 | -0.013 | -0.018 | 38.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 316 | GLY | 0 | -0.031 | -0.015 | 39.918 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 317 | VAL | 0 | -0.002 | 0.009 | 40.910 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 318 | ARG | 1 | 0.828 | 0.881 | 32.531 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 319 | LEU | 0 | -0.014 | 0.019 | 39.281 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 320 | ASP | -1 | -0.756 | -0.831 | 35.042 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 321 | SER | 0 | -0.053 | -0.034 | 37.582 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 322 | GLY | 0 | 0.046 | 0.017 | 39.990 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 323 | ASP | -1 | -0.830 | -0.890 | 42.002 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 324 | LEU | 0 | 0.037 | 0.015 | 38.275 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 325 | LEU | 0 | 0.014 | -0.004 | 42.698 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 326 | GLN | 0 | -0.014 | 0.013 | 44.427 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 327 | GLN | 0 | -0.002 | -0.027 | 43.591 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 328 | ALA | 0 | 0.025 | 0.011 | 43.803 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 329 | GLN | 0 | 0.044 | 0.020 | 45.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 330 | GLU | -1 | -0.854 | -0.902 | 49.194 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 331 | ILE | 0 | -0.004 | -0.013 | 45.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 332 | ARG | 1 | 0.782 | 0.872 | 44.469 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 333 | LYS | 1 | 0.800 | 0.887 | 50.120 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 334 | VAL | 0 | 0.016 | 0.014 | 51.536 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 335 | PHE | 0 | 0.019 | 0.003 | 45.930 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 336 | ARG | 1 | 0.950 | 0.979 | 51.950 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 337 | ALA | 0 | -0.052 | -0.041 | 54.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 338 | ALA | 0 | 0.019 | 0.007 | 54.056 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 339 | ALA | 0 | 0.019 | 0.023 | 53.730 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 340 | ALA | 0 | -0.020 | -0.010 | 55.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 341 | GLN | 0 | -0.040 | 0.005 | 59.227 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 342 | PHE | 0 | -0.042 | -0.044 | 56.521 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 343 | GLN | 0 | -0.046 | -0.006 | 58.681 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 344 | VAL | 0 | -0.013 | -0.016 | 52.936 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 345 | PRO | 0 | 0.039 | 0.004 | 53.806 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 346 | TRP | 0 | 0.019 | 0.000 | 48.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 347 | LEU | 0 | -0.016 | -0.002 | 48.900 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 348 | GLU | -1 | -0.895 | -0.941 | 49.269 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 349 | SER | 0 | -0.064 | -0.042 | 46.670 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 350 | VAL | 0 | -0.034 | 0.004 | 44.086 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 351 | LEU | 0 | -0.027 | 0.004 | 38.861 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 352 | ILE | 0 | 0.005 | -0.006 | 41.400 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 353 | VAL | 0 | -0.032 | -0.014 | 34.882 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 354 | VAL | 0 | 0.047 | 0.019 | 36.761 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 355 | SER | 0 | -0.051 | -0.061 | 32.597 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 356 | ASN | 0 | -0.026 | -0.007 | 32.577 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 357 | ASN | 0 | 0.067 | 0.036 | 32.562 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 358 | ILE | 0 | -0.079 | -0.038 | 27.749 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 359 | ASP | -1 | -0.857 | -0.946 | 30.667 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 360 | GLU | -1 | -0.809 | -0.863 | 30.861 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 361 | GLU | -1 | -0.955 | -0.969 | 33.758 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 362 | ALA | 0 | -0.005 | -0.007 | 36.093 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 363 | LEU | 0 | -0.042 | -0.031 | 32.537 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 364 | ALA | 0 | 0.007 | -0.002 | 36.480 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 365 | ARG | 1 | 0.864 | 0.933 | 39.256 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 366 | LEU | 0 | -0.033 | -0.013 | 37.368 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 367 | ALA | 0 | 0.001 | 0.017 | 37.768 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 368 | GLN | 0 | -0.039 | -0.023 | 39.887 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 369 | GLU | -1 | -0.855 | -0.957 | 42.846 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 370 | GLY | 0 | -0.082 | -0.030 | 46.107 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 371 | SER | 0 | -0.043 | -0.030 | 42.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 372 | GLU | -1 | -0.824 | -0.910 | 45.190 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 373 | VAL | 0 | -0.036 | 0.007 | 38.909 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 374 | ASN | 0 | -0.013 | -0.020 | 39.894 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 375 | VAL | 0 | 0.003 | -0.001 | 33.893 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 376 | ILE | 0 | 0.020 | 0.010 | 33.662 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 377 | GLY | 0 | -0.024 | -0.001 | 30.649 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 378 | ILE | 0 | -0.088 | -0.037 | 26.461 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 390 | SER | 0 | 0.017 | -0.008 | 18.331 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 391 | LEU | 0 | 0.033 | 0.014 | 18.550 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 392 | GLY | 0 | -0.025 | -0.009 | 19.323 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 393 | GLY | 0 | -0.003 | -0.004 | 16.772 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 394 | VAL | 0 | -0.012 | -0.004 | 16.580 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 395 | TYR | 0 | 0.041 | 0.001 | 10.905 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 396 | LYS | 1 | 0.849 | 0.929 | 15.209 | 0.458 | 0.458 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 397 | LEU | 0 | 0.007 | 0.030 | 16.907 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 398 | VAL | 0 | 0.044 | 0.021 | 18.301 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 399 | ALA | 0 | -0.001 | -0.007 | 20.374 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 400 | VAL | 0 | 0.004 | -0.001 | 19.226 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 401 | GLY | 0 | 0.019 | 0.031 | 21.722 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 402 | GLY | 0 | 0.001 | -0.008 | 23.937 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 403 | GLN | 0 | 0.063 | 0.059 | 25.228 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 404 | PRO | 0 | 0.009 | -0.005 | 25.187 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 405 | ARG | 1 | 0.829 | 0.904 | 22.286 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 406 | MET | 0 | 0.048 | 0.022 | 24.801 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 407 | LYS | 1 | 0.824 | 0.911 | 20.604 | 0.275 | 0.275 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 408 | LEU | 0 | 0.055 | 0.042 | 26.372 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 416 | THR | 0 | -0.029 | -0.027 | 23.022 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 417 | LEU | 0 | 0.022 | 0.008 | 24.785 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 418 | PRO | 0 | 0.041 | 0.030 | 24.741 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 419 | GLY | 0 | 0.001 | 0.001 | 25.109 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 420 | SER | 0 | -0.066 | -0.039 | 22.562 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 421 | LYS | 1 | 0.809 | 0.884 | 23.353 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 422 | ALA | 0 | 0.007 | 0.013 | 24.838 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 423 | ALA | 0 | 0.011 | -0.005 | 25.881 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 424 | PHE | 0 | 0.020 | 0.001 | 27.825 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 425 | ARG | 1 | 0.773 | 0.855 | 26.937 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 426 | LEU | 0 | -0.030 | 0.000 | 32.135 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 427 | LEU | 0 | -0.006 | -0.023 | 34.201 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 428 | GLY | 0 | -0.013 | 0.018 | 37.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 429 | SER | 0 | 0.045 | -0.005 | 40.472 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 430 | ASP | -1 | -0.865 | -0.898 | 41.700 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 431 | GLY | 0 | -0.067 | -0.050 | 39.006 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 432 | SER | 0 | -0.023 | -0.020 | 36.933 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 433 | PRO | 0 | -0.025 | -0.026 | 32.984 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 434 | LEU | 0 | -0.005 | 0.004 | 35.867 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 435 | MET | 0 | -0.029 | -0.002 | 34.032 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 436 | ASP | -1 | -0.745 | -0.799 | 28.489 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 437 | MET | 0 | -0.034 | -0.031 | 31.508 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 438 | LEU | 0 | -0.054 | -0.042 | 26.880 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 439 | GLN | 0 | 0.032 | -0.004 | 29.236 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 440 | LEU | 0 | -0.001 | 0.011 | 28.806 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 441 | ALA | 0 | 0.014 | -0.007 | 26.102 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 442 | GLU | -1 | -0.917 | -0.949 | 28.241 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 443 | GLU | -1 | -0.863 | -0.897 | 31.532 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 444 | PRO | 0 | 0.019 | 0.003 | 33.368 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 445 | VAL | 0 | 0.004 | 0.013 | 32.572 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 446 | PRO | 0 | 0.032 | 0.032 | 34.552 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 447 | GLN | 0 | -0.094 | -0.069 | 37.250 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 448 | ALA | 0 | 0.079 | 0.047 | 39.643 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 449 | GLY | 0 | -0.082 | -0.029 | 42.438 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 450 | GLN | 0 | -0.012 | -0.013 | 42.581 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 451 | GLU | -1 | -0.870 | -0.935 | 38.359 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 452 | LEU | 0 | 0.039 | 0.021 | 41.640 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 453 | ARG | 1 | 0.909 | 0.936 | 37.201 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 454 | VAL | 0 | 0.035 | 0.041 | 38.078 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 455 | TRP | 0 | -0.018 | -0.032 | 36.591 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 456 | PRO | 0 | 0.047 | 0.014 | 33.026 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 457 | PRO | 0 | -0.049 | -0.027 | 35.270 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 458 | GLY | 0 | -0.005 | 0.005 | 38.183 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 459 | ALA | 0 | 0.010 | -0.008 | 38.209 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 460 | GLN | 0 | 0.008 | 0.016 | 40.057 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 461 | GLU | -1 | -0.948 | -0.980 | 42.984 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 462 | PRO | 0 | -0.029 | -0.003 | 41.976 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 463 | CYS | 0 | -0.004 | 0.017 | 41.454 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 464 | THR | 0 | 0.000 | -0.020 | 43.279 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 465 | VAL | 0 | -0.013 | -0.014 | 40.233 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 466 | ARG | 1 | 0.951 | 0.968 | 43.060 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 467 | PRO | 0 | 0.000 | 0.017 | 39.069 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 468 | ALA | 0 | -0.015 | 0.010 | 41.137 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 469 | GLN | 0 | -0.041 | -0.033 | 37.791 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 470 | VAL | 0 | 0.034 | -0.002 | 34.426 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 471 | GLU | -1 | -0.877 | -0.930 | 31.351 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 472 | PRO | 0 | -0.001 | 0.010 | 28.831 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 473 | LEU | 0 | -0.025 | -0.009 | 25.562 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 474 | LEU | 0 | -0.050 | -0.023 | 20.038 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 475 | ARG | 1 | 0.847 | 0.877 | 22.435 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 476 | LEU | 0 | -0.034 | -0.019 | 20.188 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 477 | CYS | 0 | 0.000 | 0.013 | 17.564 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 478 | LEU | 0 | -0.034 | -0.020 | 12.701 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 479 | GLN | 0 | 0.009 | 0.002 | 17.322 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 480 | GLN | 0 | -0.006 | -0.007 | 17.123 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 481 | GLY | 0 | 0.021 | 0.019 | 14.235 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 482 | GLN | 0 | -0.007 | 0.002 | 15.182 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 483 | LEU | 0 | 0.019 | 0.002 | 15.116 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 484 | CYS | 0 | -0.043 | -0.026 | 18.582 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 485 | GLU | -1 | -0.808 | -0.872 | 21.254 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 486 | PRO | 0 | -0.028 | 0.002 | 21.182 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 487 | LEU | 0 | -0.023 | -0.008 | 16.075 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 488 | PRO | 0 | 0.092 | 0.057 | 20.660 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 489 | SER | 0 | 0.017 | 0.019 | 21.300 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 490 | LEU | 0 | -0.006 | -0.018 | 19.228 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 491 | ALA | 0 | 0.013 | 0.003 | 23.044 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 492 | GLU | -1 | -0.813 | -0.903 | 25.591 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 493 | SER | 0 | -0.004 | -0.017 | 22.478 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 494 | ARG | 1 | 0.864 | 0.938 | 24.585 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 495 | ALA | 0 | -0.013 | -0.002 | 26.211 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 496 | LEU | 0 | 0.055 | 0.031 | 25.731 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 497 | ALA | 0 | 0.040 | 0.052 | 25.567 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 498 | GLN | 0 | -0.059 | -0.033 | 27.626 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 499 | LEU | 0 | 0.000 | 0.007 | 30.840 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 500 | SER | 0 | -0.016 | -0.022 | 29.200 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 501 | LEU | 0 | -0.043 | -0.029 | 28.584 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 502 | SER | 0 | -0.106 | -0.056 | 32.153 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 503 | ARG | 1 | 0.955 | 0.973 | 34.873 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 504 | LEU | 0 | 0.023 | 0.037 | 31.630 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 505 | SER | 0 | 0.080 | 0.042 | 35.309 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 506 | PRO | 0 | 0.062 | 0.013 | 37.159 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 507 | GLU | -1 | -0.884 | -0.937 | 38.431 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 508 | HIS | 1 | 0.839 | 0.917 | 33.360 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 509 | ARG | 1 | 0.912 | 0.958 | 33.250 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 510 | ARG | 1 | 0.842 | 0.916 | 34.212 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 511 | LEU | 0 | 0.045 | 0.038 | 32.336 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 512 | ARG | 1 | 0.991 | 0.994 | 33.484 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 513 | SER | 0 | 0.018 | 0.008 | 35.383 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 514 | PRO | 0 | 0.027 | 0.038 | 32.907 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 515 | ALA | 0 | 0.002 | -0.012 | 35.999 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 516 | GLN | 0 | -0.021 | -0.018 | 33.055 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 517 | TYR | 0 | -0.046 | -0.053 | 30.659 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 518 | GLN | 0 | 0.001 | 0.006 | 32.356 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 519 | VAL | 0 | -0.002 | 0.000 | 28.675 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 520 | VAL | 0 | -0.048 | -0.024 | 32.023 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 521 | LEU | 0 | 0.005 | 0.011 | 30.869 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 522 | SER | 0 | 0.033 | -0.011 | 33.619 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 523 | GLU | -1 | -0.881 | -0.956 | 35.613 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 524 | ARG | 1 | 0.903 | 0.947 | 34.638 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 525 | LEU | 0 | -0.032 | -0.013 | 29.289 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 526 | GLN | 0 | 0.009 | -0.015 | 33.006 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 527 | ALA | 0 | -0.023 | 0.006 | 35.346 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 528 | LEU | 0 | -0.052 | -0.014 | 29.760 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 529 | VAL | 0 | -0.026 | -0.018 | 30.836 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 530 | ASN | 0 | -0.054 | -0.005 | 33.078 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 531 | SER | 0 | -0.056 | -0.014 | 35.503 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 532 | LEU | 0 | 0.017 | 0.004 | 33.637 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 533 | CYS | 0 | 0.039 | 0.002 | 32.512 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |