![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 85K4Y
Calculation Name: 3CDI-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3CDI
Chain ID: A
UniProt ID: P05055
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 | 521 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 22 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -9941771.613969 |
---|---|
FMO2-HF: Nuclear repulsion | 9742586.172635 |
FMO2-HF: Total energy | -199185.441334 |
FMO2-MP2: Total energy | -199763.776809 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F027826/ligand_interaction/ligand_F027826.png)
Ligand Interaction
![ligand interaction](./Kdata/F027826/ligand_interaction/ligand_interaction_F027826.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:25:LEU)
Summations of interaction energy for
fragment #1(A:25: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. |
-12.817 | -8.051 | 9.698 | -4.413 | -10.05 | -0.026 |
Interaction energy analysis for fragmet #1(A:25: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 | 27 | PRO | 0 | 0.001 | 0.017 | 3.573 | -1.279 | 1.568 | -0.024 | -1.362 | -1.460 | 0.000 |
4 | A | 28 | ILE | 0 | 0.031 | 0.019 | 5.729 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 29 | VAL | 0 | -0.021 | -0.019 | 9.311 | 0.163 | 0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 30 | ARG | 1 | 0.947 | 0.964 | 11.838 | 0.435 | 0.435 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 31 | LYS | 1 | 0.911 | 0.950 | 15.565 | 0.607 | 0.607 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 32 | PHE | 0 | 0.014 | 0.005 | 18.078 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 33 | GLN | 0 | 0.039 | 0.023 | 21.799 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 34 | TYR | 0 | -0.053 | -0.054 | 24.672 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 35 | GLY | 0 | 0.062 | 0.019 | 26.406 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 36 | GLN | 0 | -0.017 | 0.003 | 29.518 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 37 | HIS | 1 | 0.861 | 0.922 | 25.041 | 0.178 | 0.178 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 38 | THR | 0 | -0.024 | -0.008 | 20.375 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 39 | VAL | 0 | 0.005 | -0.010 | 19.287 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 40 | THR | 0 | -0.056 | -0.042 | 14.125 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 41 | LEU | 0 | 0.001 | 0.003 | 14.580 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 42 | GLU | -1 | -0.901 | -0.946 | 7.633 | -1.392 | -1.392 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 43 | THR | 0 | -0.001 | -0.015 | 8.641 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 44 | GLY | 0 | 0.066 | 0.034 | 5.660 | -0.266 | -0.266 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 45 | MET | 0 | -0.016 | -0.002 | 2.156 | -1.913 | -1.233 | 4.092 | -1.330 | -3.442 | -0.004 |
22 | A | 46 | MET | 0 | -0.024 | -0.019 | 2.485 | -2.327 | -0.869 | 1.596 | -0.952 | -2.103 | -0.026 |
23 | A | 47 | ALA | 0 | 0.003 | -0.005 | 5.068 | 0.123 | 0.153 | -0.001 | -0.002 | -0.026 | 0.000 |
24 | A | 48 | ARG | 1 | 0.972 | 0.976 | 2.290 | -5.393 | -5.642 | 4.035 | -0.767 | -3.019 | 0.004 |
25 | A | 49 | GLN | 0 | -0.022 | -0.008 | 6.622 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 50 | ALA | 0 | 0.000 | 0.032 | 9.962 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 51 | THR | 0 | 0.017 | -0.003 | 11.325 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 52 | ALA | 0 | 0.033 | 0.031 | 11.277 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 53 | ALA | 0 | -0.044 | -0.012 | 9.052 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 54 | VAL | 0 | -0.007 | 0.009 | 9.986 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 55 | MET | 0 | 0.001 | 0.014 | 10.162 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 56 | VAL | 0 | -0.002 | 0.029 | 12.287 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 57 | SER | 0 | -0.021 | -0.017 | 15.604 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 58 | MET | 0 | 0.015 | 0.007 | 17.420 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 59 | ASP | -1 | -0.763 | -0.855 | 21.084 | -0.225 | -0.225 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 60 | ASP | -1 | -0.873 | -0.929 | 19.404 | -0.282 | -0.282 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 61 | THR | 0 | -0.037 | -0.004 | 19.982 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 62 | ALA | 0 | -0.024 | -0.019 | 15.105 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 63 | VAL | 0 | 0.002 | -0.001 | 16.769 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 64 | PHE | 0 | -0.010 | -0.011 | 8.854 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 65 | VAL | 0 | -0.027 | -0.017 | 13.836 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 66 | THR | 0 | -0.013 | -0.012 | 11.618 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 67 | VAL | 0 | 0.060 | 0.018 | 13.921 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 68 | VAL | 0 | -0.022 | -0.010 | 14.887 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 69 | GLY | 0 | 0.066 | 0.037 | 17.099 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 70 | GLN | 0 | -0.076 | -0.034 | 19.862 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 71 | LYS | 1 | 0.948 | 0.974 | 20.080 | -0.189 | -0.189 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 72 | LYS | 1 | 0.921 | 0.952 | 22.650 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 73 | ALA | 0 | 0.047 | 0.046 | 26.314 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 74 | LYS | 1 | 0.835 | 0.911 | 28.362 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 75 | PRO | 0 | 0.013 | -0.001 | 31.334 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 76 | GLY | 0 | 0.106 | 0.074 | 34.726 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 77 | GLN | 0 | -0.144 | -0.090 | 31.684 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 78 | ASP | -1 | -0.762 | -0.862 | 34.942 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 79 | PHE | 0 | -0.033 | -0.039 | 31.714 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 80 | PHE | 0 | 0.025 | 0.024 | 26.047 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 81 | PRO | 0 | -0.027 | 0.002 | 27.819 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 82 | LEU | 0 | -0.030 | 0.010 | 24.275 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 83 | THR | 0 | -0.010 | -0.020 | 24.058 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 84 | VAL | 0 | 0.035 | 0.019 | 22.414 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 85 | ASN | 0 | -0.055 | -0.033 | 21.305 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 86 | TYR | 0 | 0.020 | -0.003 | 21.290 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 87 | GLN | 0 | -0.035 | -0.015 | 19.687 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 88 | GLU | -1 | -0.786 | -0.893 | 21.088 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 89 | ARG | 1 | 0.817 | 0.908 | 17.637 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 90 | THR | 0 | 0.059 | 0.008 | 21.300 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 91 | TYR | 0 | 0.025 | 0.010 | 15.062 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 92 | ALA | 0 | -0.022 | 0.020 | 19.496 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 93 | ALA | 0 | 0.013 | 0.007 | 20.437 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 94 | GLY | 0 | 0.003 | 0.006 | 22.426 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 95 | ARG | 1 | 0.909 | 0.955 | 23.785 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 96 | ILE | 0 | 0.021 | 0.004 | 24.817 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 97 | PRO | 0 | -0.058 | -0.011 | 25.509 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 98 | GLY | 0 | 0.034 | 0.016 | 28.587 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 106 | ARG | 1 | 0.881 | 0.978 | 24.510 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 107 | PRO | 0 | -0.032 | -0.049 | 26.891 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 108 | SER | 0 | -0.017 | -0.049 | 28.629 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 109 | GLU | -1 | -0.784 | -0.894 | 30.345 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 110 | GLY | 0 | 0.025 | 0.006 | 31.315 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 111 | GLU | -1 | -0.747 | -0.839 | 25.196 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 112 | THR | 0 | -0.056 | -0.035 | 27.314 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 113 | LEU | 0 | -0.030 | -0.010 | 29.422 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 114 | ILE | 0 | 0.043 | 0.024 | 25.429 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 115 | ALA | 0 | -0.014 | 0.001 | 25.599 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 116 | ARG | 1 | 0.849 | 0.913 | 26.615 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 117 | LEU | 0 | 0.012 | 0.005 | 28.264 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 118 | ILE | 0 | -0.001 | 0.001 | 22.513 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 119 | ASP | -1 | -0.788 | -0.857 | 26.082 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 120 | ARG | 1 | 0.824 | 0.877 | 27.399 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 121 | PRO | 0 | 0.007 | 0.019 | 27.199 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 122 | ILE | 0 | 0.001 | 0.000 | 23.228 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 123 | ARG | 1 | 0.820 | 0.866 | 26.831 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 124 | PRO | 0 | 0.020 | 0.008 | 28.923 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 125 | LEU | 0 | 0.013 | 0.019 | 27.103 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 126 | PHE | 0 | -0.058 | -0.022 | 23.175 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 127 | PRO | 0 | -0.031 | -0.010 | 27.657 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 128 | GLU | -1 | -0.848 | -0.925 | 30.756 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 129 | GLY | 0 | 0.083 | 0.048 | 33.803 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 130 | PHE | 0 | -0.090 | -0.050 | 23.937 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 131 | VAL | 0 | 0.039 | -0.001 | 30.012 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 132 | ASN | 0 | -0.081 | -0.041 | 24.537 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 133 | GLU | -1 | -0.830 | -0.901 | 24.277 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 134 | VAL | 0 | 0.012 | -0.007 | 20.915 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 135 | GLN | 0 | -0.050 | -0.017 | 20.070 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 136 | VAL | 0 | 0.006 | 0.008 | 18.631 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 137 | ILE | 0 | -0.040 | -0.018 | 16.869 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 138 | ALA | 0 | 0.028 | 0.016 | 16.705 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 139 | THR | 0 | -0.003 | 0.001 | 15.334 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 140 | VAL | 0 | 0.013 | 0.004 | 16.714 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 141 | VAL | 0 | -0.061 | -0.048 | 13.407 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 142 | SER | 0 | -0.027 | -0.035 | 16.524 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 143 | VAL | 0 | -0.010 | -0.008 | 18.641 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 144 | ASN | 0 | 0.068 | 0.047 | 22.243 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 145 | PRO | 0 | -0.040 | -0.046 | 24.539 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 146 | GLN | 0 | 0.012 | -0.012 | 27.640 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 147 | VAL | 0 | -0.009 | -0.001 | 24.363 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 148 | ASN | 0 | 0.024 | 0.021 | 25.205 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 149 | PRO | 0 | 0.056 | 0.013 | 22.027 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 150 | ASP | -1 | -0.765 | -0.836 | 23.017 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 151 | ILE | 0 | 0.068 | 0.010 | 24.348 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 152 | VAL | 0 | -0.026 | 0.001 | 19.382 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 153 | ALA | 0 | 0.004 | -0.009 | 19.758 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 154 | MET | 0 | -0.052 | -0.011 | 20.514 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 155 | ILE | 0 | 0.017 | 0.009 | 19.446 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 156 | GLY | 0 | 0.021 | -0.013 | 17.187 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 157 | ALA | 0 | 0.000 | -0.006 | 17.149 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 158 | SER | 0 | -0.006 | 0.008 | 19.290 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 159 | ALA | 0 | 0.012 | 0.013 | 16.200 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 160 | ALA | 0 | -0.005 | -0.014 | 14.687 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 161 | LEU | 0 | 0.031 | 0.016 | 15.609 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 162 | SER | 0 | 0.024 | 0.036 | 18.659 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 163 | LEU | 0 | 0.002 | -0.001 | 12.365 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 164 | SER | 0 | -0.042 | -0.054 | 15.081 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 165 | GLY | 0 | 0.001 | 0.008 | 16.046 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 166 | ILE | 0 | -0.048 | -0.015 | 18.473 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 167 | PRO | 0 | 0.001 | -0.008 | 21.107 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 168 | PHE | 0 | 0.022 | 0.004 | 22.339 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 169 | ASN | 0 | -0.057 | -0.022 | 24.669 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 170 | GLY | 0 | -0.007 | 0.043 | 24.647 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 171 | PRO | 0 | -0.057 | -0.052 | 21.984 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 172 | ILE | 0 | 0.038 | 0.001 | 24.042 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 173 | GLY | 0 | 0.025 | 0.024 | 24.439 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 174 | ALA | 0 | -0.034 | -0.028 | 25.648 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 175 | ALA | 0 | -0.013 | 0.013 | 27.434 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 176 | ARG | 1 | 0.775 | 0.846 | 29.347 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 177 | VAL | 0 | -0.058 | -0.029 | 32.186 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 178 | GLY | 0 | 0.026 | 0.019 | 35.652 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 179 | TYR | 0 | -0.058 | -0.037 | 38.108 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 180 | ILE | 0 | 0.075 | 0.038 | 38.878 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 181 | ASN | 0 | -0.030 | -0.015 | 43.078 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 182 | ASP | -1 | -0.864 | -0.926 | 46.245 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 183 | GLN | 0 | -0.022 | 0.002 | 42.730 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 184 | TYR | 0 | -0.039 | -0.036 | 39.136 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 185 | VAL | 0 | 0.006 | 0.012 | 35.529 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 186 | LEU | 0 | 0.006 | -0.004 | 29.805 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 187 | ASN | 0 | -0.038 | -0.021 | 28.592 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 188 | PRO | 0 | 0.007 | 0.017 | 31.299 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 189 | THR | 0 | -0.014 | -0.023 | 30.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 190 | GLN | 0 | -0.014 | -0.014 | 31.308 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 191 | ASP | -1 | -0.854 | -0.942 | 33.336 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 192 | GLU | -1 | -0.829 | -0.887 | 34.562 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 193 | LEU | 0 | -0.050 | -0.043 | 34.099 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 194 | LYS | 1 | 0.793 | 0.921 | 36.129 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 195 | GLU | -1 | -0.923 | -0.945 | 40.450 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 196 | SER | 0 | -0.021 | 0.000 | 39.511 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 197 | LYS | 1 | 0.839 | 0.903 | 41.635 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 198 | LEU | 0 | -0.068 | -0.053 | 39.492 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 199 | ASP | -1 | -0.816 | -0.881 | 35.169 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 200 | LEU | 0 | 0.013 | 0.001 | 35.930 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 201 | VAL | 0 | -0.024 | -0.007 | 30.196 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 202 | VAL | 0 | 0.008 | 0.014 | 32.401 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 203 | ALA | 0 | 0.008 | 0.003 | 28.710 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 204 | GLY | 0 | 0.051 | 0.031 | 29.815 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 205 | THR | 0 | 0.035 | 0.020 | 28.678 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 206 | GLU | -1 | -0.929 | -0.964 | 29.393 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 207 | ALA | 0 | -0.006 | -0.003 | 30.990 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 208 | ALA | 0 | 0.027 | 0.018 | 33.385 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 209 | VAL | 0 | -0.021 | 0.004 | 33.242 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 210 | LEU | 0 | 0.032 | 0.004 | 29.977 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 211 | MET | 0 | -0.059 | -0.002 | 30.479 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 212 | VAL | 0 | 0.016 | -0.003 | 33.677 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 213 | GLU | -1 | -0.806 | -0.882 | 34.038 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 214 | SER | 0 | -0.042 | -0.035 | 35.893 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 215 | GLU | -1 | -0.880 | -0.936 | 38.379 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 216 | ALA | 0 | -0.017 | -0.022 | 40.879 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 217 | GLN | 0 | -0.007 | -0.013 | 43.518 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 218 | LEU | 0 | -0.042 | -0.020 | 46.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 219 | LEU | 0 | 0.024 | 0.037 | 44.392 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 220 | SER | 0 | 0.041 | 0.005 | 48.222 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 221 | GLU | -1 | -0.729 | -0.879 | 47.324 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 222 | ASP | -1 | -0.832 | -0.899 | 46.504 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 223 | GLN | 0 | 0.024 | 0.037 | 45.889 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 224 | MET | 0 | 0.001 | 0.009 | 41.818 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 225 | LEU | 0 | 0.005 | -0.009 | 41.851 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 226 | GLY | 0 | 0.012 | 0.011 | 41.847 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 227 | ALA | 0 | 0.002 | 0.002 | 39.177 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 228 | VAL | 0 | -0.003 | -0.002 | 37.346 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 229 | VAL | 0 | 0.026 | 0.009 | 36.828 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 230 | PHE | 0 | 0.036 | 0.028 | 36.079 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 231 | GLY | 0 | 0.031 | -0.008 | 34.163 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 232 | HIS | 0 | -0.081 | -0.046 | 32.253 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 233 | GLU | -1 | -0.899 | -0.947 | 32.721 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 234 | GLN | 0 | -0.030 | -0.025 | 32.268 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 235 | GLN | 0 | -0.063 | -0.039 | 28.256 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 236 | GLN | 0 | 0.028 | 0.006 | 27.649 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 237 | VAL | 0 | -0.001 | 0.007 | 25.650 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 238 | VAL | 0 | -0.028 | -0.017 | 22.559 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 239 | ILE | 0 | 0.023 | 0.025 | 22.888 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 240 | GLN | 0 | 0.022 | 0.019 | 23.793 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 241 | ASN | 0 | -0.011 | -0.006 | 20.284 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 242 | ILE | 0 | -0.001 | 0.010 | 18.578 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 243 | ASN | 0 | 0.032 | 0.001 | 18.842 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 244 | GLU | -1 | -0.892 | -0.925 | 19.968 | -0.234 | -0.234 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 245 | LEU | 0 | 0.014 | 0.013 | 12.501 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 246 | VAL | 0 | -0.026 | -0.024 | 15.150 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 247 | LYS | 1 | 0.786 | 0.884 | 17.087 | 0.229 | 0.229 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 248 | GLU | -1 | -0.989 | -0.980 | 13.344 | -0.644 | -0.644 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 249 | ALA | 0 | -0.034 | -0.035 | 10.759 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 250 | GLY | 0 | -0.038 | -0.009 | 12.275 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 251 | LYS | 1 | 0.837 | 0.923 | 10.521 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 252 | PRO | 0 | -0.001 | 0.000 | 15.127 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 253 | ARG | 1 | 0.833 | 0.902 | 17.839 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 254 | TRP | 0 | -0.046 | -0.034 | 18.457 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 255 | ASP | -1 | -0.925 | -0.958 | 22.389 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 256 | TRP | 0 | -0.074 | -0.042 | 25.639 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 257 | GLN | 0 | 0.015 | 0.011 | 27.094 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 258 | PRO | 0 | -0.013 | -0.034 | 30.768 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 259 | GLU | -1 | -0.943 | -0.953 | 33.087 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 260 | PRO | 0 | -0.046 | -0.035 | 35.078 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 261 | VAL | 0 | 0.103 | 0.068 | 38.894 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 262 | ASN | 0 | 0.054 | 0.040 | 41.644 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 263 | GLU | -1 | -0.966 | -0.998 | 44.564 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 264 | ALA | 0 | -0.030 | -0.018 | 46.734 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 265 | LEU | 0 | 0.060 | 0.033 | 48.773 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 266 | ASN | 0 | 0.046 | 0.010 | 46.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 267 | ALA | 0 | -0.098 | -0.038 | 49.880 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 268 | ARG | 1 | 0.779 | 0.861 | 52.286 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 269 | VAL | 0 | 0.052 | 0.039 | 51.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 270 | ALA | 0 | 0.006 | -0.007 | 52.873 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 271 | ALA | 0 | -0.010 | -0.004 | 54.871 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 272 | LEU | 0 | -0.029 | -0.004 | 57.783 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 273 | ALA | 0 | 0.002 | 0.007 | 56.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 274 | GLU | -1 | -0.884 | -0.946 | 53.912 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 275 | ALA | 0 | -0.002 | -0.005 | 57.071 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 276 | ARG | 1 | 0.833 | 0.891 | 60.561 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 277 | LEU | 0 | 0.042 | 0.016 | 55.511 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 278 | SER | 0 | -0.010 | -0.014 | 58.607 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 279 | ASP | -1 | -0.903 | -0.948 | 59.609 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 280 | ALA | 0 | -0.010 | 0.002 | 60.707 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 281 | TYR | 0 | -0.098 | -0.098 | 55.288 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 282 | ARG | 1 | 0.796 | 0.902 | 60.590 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 283 | ILE | 0 | -0.037 | 0.013 | 63.729 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 284 | THR | 0 | 0.014 | -0.013 | 63.994 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 285 | ASP | -1 | -0.904 | -0.947 | 64.574 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 286 | LYS | 1 | 0.969 | 0.990 | 59.215 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 287 | GLN | 0 | -0.054 | -0.041 | 62.387 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 288 | GLU | -1 | -0.921 | -0.963 | 63.906 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 289 | ARG | 1 | 0.853 | 0.938 | 58.483 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 290 | TYR | 0 | 0.022 | -0.004 | 57.116 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 291 | ALA | 0 | 0.038 | 0.043 | 60.709 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 292 | GLN | 0 | 0.018 | 0.011 | 63.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 293 | VAL | 0 | -0.004 | -0.007 | 56.958 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 294 | ASP | -1 | -0.861 | -0.943 | 57.934 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 295 | VAL | 0 | -0.071 | -0.007 | 59.986 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 296 | ILE | 0 | -0.023 | -0.007 | 58.768 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 297 | LYS | 1 | 0.854 | 0.912 | 53.915 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 298 | SER | 0 | -0.017 | -0.015 | 57.680 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 299 | GLU | -1 | -0.858 | -0.921 | 60.008 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 300 | THR | 0 | -0.036 | -0.026 | 56.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 301 | ILE | 0 | 0.037 | 0.021 | 54.065 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 302 | ALA | 0 | -0.009 | -0.006 | 57.271 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 303 | THR | 0 | -0.064 | -0.049 | 60.350 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 304 | LEU | 0 | 0.026 | 0.017 | 54.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 305 | LEU | 0 | -0.068 | -0.026 | 54.826 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 306 | ALA | 0 | -0.028 | -0.010 | 57.971 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 307 | GLU | -1 | -0.986 | -0.969 | 58.784 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 308 | ASP | -1 | -0.878 | -0.943 | 53.928 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 309 | GLU | -1 | -0.903 | -0.957 | 55.305 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 310 | THR | 0 | -0.135 | -0.077 | 52.099 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 311 | LEU | 0 | -0.010 | -0.012 | 50.863 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 312 | ASP | -1 | -0.883 | -0.931 | 46.467 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 313 | GLU | -1 | -0.879 | -0.947 | 49.520 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 314 | ASN | 0 | -0.040 | -0.006 | 45.135 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 315 | GLU | -1 | -0.852 | -0.926 | 44.844 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 316 | LEU | 0 | -0.002 | -0.010 | 47.135 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 317 | GLY | 0 | -0.041 | -0.031 | 50.525 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 318 | GLU | -1 | -0.990 | -0.991 | 42.918 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 319 | ILE | 0 | -0.016 | 0.002 | 46.957 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 320 | LEU | 0 | -0.040 | -0.026 | 48.648 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 321 | HIS | 0 | -0.029 | -0.017 | 46.645 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 322 | ALA | 0 | 0.030 | 0.014 | 46.585 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 323 | ILE | 0 | -0.002 | 0.003 | 48.216 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 324 | GLU | -1 | -0.762 | -0.841 | 51.261 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 325 | LYS | 1 | 0.848 | 0.926 | 47.935 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 326 | ASN | 0 | 0.039 | 0.019 | 49.155 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 327 | VAL | 0 | 0.035 | 0.035 | 50.462 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 328 | VAL | 0 | -0.033 | -0.024 | 52.073 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 329 | ARG | 1 | 0.825 | 0.880 | 44.563 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 330 | SER | 0 | 0.003 | -0.006 | 51.162 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 331 | ARG | 1 | 0.833 | 0.912 | 53.778 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 332 | VAL | 0 | 0.000 | 0.000 | 52.249 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 333 | LEU | 0 | -0.052 | -0.018 | 49.524 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 334 | ALA | 0 | -0.016 | 0.002 | 53.901 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 335 | GLY | 0 | -0.046 | -0.017 | 57.056 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 336 | GLU | -1 | -0.861 | -0.909 | 58.600 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 337 | PRO | 0 | -0.007 | 0.006 | 58.536 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 338 | ARG | 1 | 0.746 | 0.836 | 52.572 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 339 | ILE | 0 | 0.027 | 0.010 | 53.024 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 340 | ASP | -1 | -0.818 | -0.904 | 56.978 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 341 | GLY | 0 | -0.011 | -0.002 | 58.942 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 342 | ARG | 1 | 0.707 | 0.835 | 54.137 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 343 | GLU | -1 | -0.789 | -0.901 | 59.058 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 344 | LYS | 1 | 0.839 | 0.878 | 54.684 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 345 | ASP | -1 | -0.893 | -0.932 | 54.872 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 346 | MET | 0 | -0.022 | 0.017 | 57.056 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 347 | ILE | 0 | -0.040 | -0.013 | 54.932 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 348 | ARG | 1 | 0.812 | 0.893 | 52.330 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 349 | GLY | 0 | 0.001 | -0.001 | 58.683 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 350 | LEU | 0 | -0.019 | -0.012 | 57.561 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 351 | ASP | -1 | -0.808 | -0.886 | 60.262 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 352 | VAL | 0 | -0.002 | -0.003 | 59.566 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 353 | ARG | 1 | 0.841 | 0.919 | 61.039 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 354 | THR | 0 | 0.031 | 0.008 | 61.049 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 355 | GLY | 0 | 0.020 | 0.032 | 62.056 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 356 | VAL | 0 | -0.046 | -0.019 | 60.794 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 357 | LEU | 0 | -0.016 | -0.012 | 57.609 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 358 | PRO | 0 | 0.000 | -0.016 | 61.942 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 359 | ARG | 1 | 0.900 | 0.942 | 61.488 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 360 | THR | 0 | 0.007 | 0.031 | 57.309 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 361 | HIS | 0 | 0.003 | -0.004 | 56.650 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 362 | GLY | 0 | 0.088 | 0.058 | 57.857 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 363 | SER | 0 | -0.066 | -0.023 | 56.902 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 364 | ALA | 0 | 0.019 | -0.003 | 56.773 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 365 | LEU | 0 | -0.026 | -0.019 | 57.079 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 366 | PHE | 0 | 0.016 | 0.014 | 54.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 367 | THR | 0 | 0.003 | -0.004 | 55.807 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 368 | ARG | 1 | 0.884 | 0.935 | 50.538 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 369 | GLY | 0 | 0.020 | -0.001 | 55.461 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 370 | GLU | -1 | -0.832 | -0.895 | 55.016 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 371 | THR | 0 | -0.120 | -0.035 | 50.989 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 372 | GLN | 0 | -0.002 | -0.009 | 53.047 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 373 | ALA | 0 | -0.030 | -0.024 | 51.415 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 374 | LEU | 0 | -0.002 | 0.016 | 53.109 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 375 | VAL | 0 | -0.054 | -0.027 | 51.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 376 | THR | 0 | -0.009 | -0.017 | 52.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 377 | ALA | 0 | 0.005 | 0.008 | 52.328 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 378 | THR | 0 | -0.040 | -0.018 | 51.820 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 379 | LEU | 0 | 0.006 | -0.014 | 52.506 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 380 | GLY | 0 | 0.037 | 0.009 | 53.464 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 381 | THR | 0 | -0.017 | 0.007 | 50.964 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 395 | ARG | 1 | 0.900 | 0.945 | 43.333 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 396 | THR | 0 | 0.054 | 0.009 | 39.985 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 397 | ASP | -1 | -0.929 | -0.906 | 40.295 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 398 | THR | 0 | 0.022 | -0.007 | 41.963 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 399 | PHE | 0 | -0.057 | -0.039 | 44.506 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 400 | LEU | 0 | -0.020 | -0.015 | 42.788 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 401 | PHE | 0 | 0.053 | 0.021 | 43.324 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 402 | HIS | 0 | -0.039 | -0.014 | 42.835 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 403 | TYR | 0 | -0.008 | -0.025 | 42.836 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 404 | ASN | 0 | -0.038 | -0.022 | 43.778 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 405 | PHE | 0 | -0.008 | -0.012 | 43.814 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 406 | PRO | 0 | 0.002 | 0.010 | 45.458 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 407 | PRO | 0 | -0.010 | -0.004 | 46.513 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 408 | TYR | 0 | 0.055 | 0.032 | 47.975 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 409 | SER | 0 | -0.082 | -0.029 | 48.472 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 410 | VAL | 0 | 0.023 | -0.009 | 47.136 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 411 | GLY | 0 | -0.007 | 0.010 | 50.509 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 412 | GLU | -1 | -0.929 | -0.944 | 46.666 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 413 | THR | 0 | -0.023 | -0.019 | 48.806 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 414 | GLY | 0 | 0.022 | -0.008 | 45.615 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 415 | MET | 0 | -0.025 | -0.012 | 40.985 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 416 | VAL | 0 | 0.090 | 0.029 | 44.309 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 417 | GLY | 0 | 0.048 | 0.013 | 43.784 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 418 | SER | 0 | -0.076 | -0.017 | 40.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 419 | PRO | 0 | -0.019 | 0.012 | 38.480 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 420 | LYS | 1 | 0.930 | 0.943 | 31.984 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 421 | ARG | 1 | 0.888 | 0.959 | 35.449 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 422 | ARG | 1 | 0.973 | 0.969 | 34.360 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 423 | GLU | -1 | -0.773 | -0.889 | 38.705 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 424 | ILE | 0 | 0.001 | 0.005 | 34.293 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 425 | GLY | 0 | -0.010 | -0.016 | 36.515 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 426 | HIS | 0 | 0.039 | 0.024 | 37.104 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 427 | GLY | 0 | 0.054 | 0.027 | 40.497 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 428 | ARG | 1 | 0.872 | 0.929 | 35.110 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 429 | LEU | 0 | 0.039 | 0.026 | 39.444 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 430 | ALA | 0 | 0.035 | 0.006 | 40.913 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 431 | LYS | 1 | 0.819 | 0.909 | 40.782 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 432 | ARG | 1 | 0.799 | 0.886 | 35.049 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 433 | GLY | 0 | 0.004 | 0.001 | 42.703 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 434 | VAL | 0 | 0.004 | 0.005 | 45.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 435 | LEU | 0 | -0.036 | -0.023 | 42.111 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 436 | ALA | 0 | 0.004 | 0.012 | 46.238 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 437 | VAL | 0 | -0.004 | 0.008 | 48.078 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 438 | MET | 0 | -0.012 | 0.020 | 47.927 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 439 | PRO | 0 | 0.011 | 0.002 | 50.843 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 440 | ASP | -1 | -0.776 | -0.892 | 50.591 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 441 | MET | 0 | -0.073 | -0.008 | 48.889 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 442 | ASP | -1 | -0.874 | -0.950 | 51.324 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 443 | LYS | 1 | 0.830 | 0.921 | 54.009 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 444 | PHE | 0 | 0.007 | -0.025 | 53.796 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 445 | PRO | 0 | 0.051 | 0.036 | 53.210 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 446 | TYR | 0 | -0.032 | -0.018 | 53.103 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 447 | THR | 0 | -0.007 | 0.010 | 47.316 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 448 | VAL | 0 | -0.010 | -0.005 | 49.153 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 449 | ARG | 1 | 0.923 | 0.963 | 45.321 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 450 | VAL | 0 | 0.023 | 0.005 | 48.064 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 451 | VAL | 0 | -0.050 | -0.025 | 47.687 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 452 | SER | 0 | 0.034 | 0.019 | 47.657 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 453 | GLU | -1 | -0.868 | -0.925 | 48.224 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 454 | ILE | 0 | -0.055 | -0.027 | 46.951 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 455 | THR | 0 | -0.018 | -0.020 | 49.986 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 456 | GLU | -1 | -0.862 | -0.932 | 52.521 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 457 | SER | 0 | -0.068 | -0.060 | 47.937 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 458 | ASN | 0 | 0.093 | 0.032 | 49.956 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 459 | GLY | 0 | 0.099 | 0.060 | 49.205 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 460 | SER | 0 | 0.009 | 0.003 | 45.520 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 461 | SER | 0 | 0.095 | 0.056 | 46.209 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 462 | SER | 0 | -0.001 | 0.007 | 43.627 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 463 | MET | 0 | 0.000 | 0.037 | 44.498 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 464 | ALA | 0 | 0.037 | 0.025 | 48.092 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 465 | SER | 0 | -0.034 | -0.037 | 47.174 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 466 | VAL | 0 | -0.019 | 0.005 | 47.022 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 467 | CYS | 0 | -0.039 | 0.003 | 49.503 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 468 | GLY | 0 | 0.038 | 0.014 | 52.864 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 469 | ALA | 0 | 0.008 | 0.004 | 50.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 470 | SER | 0 | -0.002 | 0.011 | 52.214 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 471 | LEU | 0 | -0.012 | -0.014 | 54.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 472 | ALA | 0 | 0.024 | 0.015 | 54.669 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 473 | LEU | 0 | -0.005 | -0.012 | 51.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 474 | MET | 0 | -0.016 | -0.001 | 55.832 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 475 | ASP | -1 | -0.836 | -0.919 | 59.140 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 476 | ALA | 0 | -0.016 | -0.010 | 57.239 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 477 | GLY | 0 | -0.061 | -0.015 | 59.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 478 | VAL | 0 | -0.053 | -0.030 | 53.768 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 479 | PRO | 0 | -0.007 | 0.012 | 56.764 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 480 | ILE | 0 | -0.050 | -0.042 | 53.920 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 481 | LYS | 1 | 0.780 | 0.878 | 50.906 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 482 | ALA | 0 | 0.024 | 0.012 | 55.392 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 483 | ALA | 0 | 0.022 | 0.018 | 55.222 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 484 | VAL | 0 | -0.017 | -0.020 | 50.159 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 485 | ALA | 0 | 0.024 | -0.007 | 52.549 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 486 | GLY | 0 | 0.012 | -0.020 | 49.142 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 487 | ILE | 0 | -0.041 | -0.018 | 48.874 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 488 | ALA | 0 | -0.015 | -0.021 | 46.319 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 489 | MET | 0 | -0.046 | 0.007 | 46.470 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 490 | GLY | 0 | 0.072 | 0.030 | 45.600 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 491 | LEU | 0 | -0.084 | -0.026 | 44.725 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 492 | VAL | 0 | 0.052 | 0.037 | 45.144 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 493 | LYS | 1 | 0.873 | 0.899 | 44.256 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 494 | GLU | -1 | -0.904 | -0.949 | 46.077 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 495 | GLY | 0 | 0.016 | 0.019 | 46.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 496 | ASP | -1 | -0.936 | -0.978 | 46.903 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 497 | ASN | 0 | -0.059 | -0.020 | 49.500 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 498 | TYR | 0 | 0.000 | -0.011 | 48.316 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 499 | VAL | 0 | 0.028 | 0.016 | 49.891 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 500 | VAL | 0 | -0.028 | -0.008 | 49.121 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 501 | LEU | 0 | 0.006 | 0.007 | 49.411 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 502 | SER | 0 | 0.049 | -0.002 | 50.243 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 503 | ASP | -1 | -0.818 | -0.911 | 51.200 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 504 | ILE | 0 | -0.020 | 0.015 | 45.348 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 505 | LEU | 0 | 0.003 | -0.007 | 49.862 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 506 | GLY | 0 | 0.013 | 0.005 | 47.589 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 507 | ASP | -1 | -0.882 | -0.953 | 47.073 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 508 | GLU | -1 | -0.740 | -0.847 | 48.475 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 509 | ASP | -1 | -0.955 | -0.967 | 42.161 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 510 | HIS | 0 | -0.001 | -0.009 | 43.550 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 511 | LEU | 0 | -0.041 | -0.015 | 44.672 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 512 | GLY | 0 | 0.028 | 0.009 | 43.484 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 513 | ASP | -1 | -0.800 | -0.854 | 41.251 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 514 | MET | 0 | 0.005 | 0.002 | 40.185 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 515 | ASP | -1 | -0.815 | -0.869 | 40.693 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 516 | PHE | 0 | -0.031 | -0.024 | 40.927 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 517 | LYS | 1 | 0.801 | 0.879 | 39.796 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 518 | VAL | 0 | 0.017 | 0.008 | 43.763 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 519 | ALA | 0 | 0.027 | -0.002 | 46.299 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 520 | GLY | 0 | 0.040 | 0.037 | 47.668 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 521 | SER | 0 | 0.023 | 0.014 | 50.259 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 522 | ARG | 1 | 0.858 | 0.887 | 53.818 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 523 | ASP | -1 | -0.906 | -0.941 | 54.488 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 524 | GLY | 0 | -0.016 | 0.002 | 51.167 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 525 | ILE | 0 | -0.092 | -0.049 | 45.487 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 526 | SER | 0 | -0.020 | -0.050 | 46.421 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 527 | ALA | 0 | -0.013 | 0.003 | 42.620 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 528 | LEU | 0 | 0.002 | 0.007 | 41.464 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 529 | GLN | 0 | -0.079 | -0.036 | 37.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 530 | MET | 0 | -0.004 | -0.019 | 38.060 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 531 | ASP | -1 | -0.782 | -0.882 | 35.264 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 532 | ILE | 0 | -0.037 | -0.024 | 36.288 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 533 | LYS | 1 | 0.882 | 0.943 | 35.411 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 534 | ILE | 0 | -0.001 | 0.011 | 36.629 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 535 | GLU | -1 | -0.884 | -0.945 | 34.750 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 536 | GLY | 0 | -0.036 | -0.016 | 38.435 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 537 | ILE | 0 | -0.046 | -0.040 | 40.272 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 538 | THR | 0 | 0.102 | 0.050 | 41.339 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 539 | LYS | 1 | 0.929 | 0.932 | 42.481 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 540 | GLU | -1 | -0.822 | -0.908 | 43.890 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 541 | ILE | 0 | -0.003 | 0.010 | 45.655 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 542 | MET | 0 | 0.007 | 0.011 | 40.662 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 543 | GLN | 0 | -0.056 | -0.034 | 45.621 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 544 | VAL | 0 | -0.026 | -0.002 | 48.523 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 545 | ALA | 0 | 0.026 | 0.008 | 46.798 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 546 | LEU | 0 | 0.013 | -0.012 | 44.755 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 547 | ASN | 0 | -0.019 | 0.002 | 48.696 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 548 | GLN | 0 | 0.014 | 0.006 | 52.167 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 549 | ALA | 0 | 0.020 | 0.000 | 49.361 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 550 | LYS | 1 | 0.860 | 0.919 | 51.336 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 551 | GLY | 0 | -0.003 | 0.003 | 53.113 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 552 | ALA | 0 | 0.042 | 0.014 | 53.292 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 553 | ARG | 1 | 0.850 | 0.939 | 50.876 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 554 | LEU | 0 | 0.008 | -0.003 | 54.311 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 555 | HIS | 0 | 0.006 | 0.008 | 57.623 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 556 | ILE | 0 | 0.010 | -0.007 | 54.222 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 557 | LEU | 0 | -0.026 | -0.016 | 54.979 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 558 | GLY | 0 | -0.061 | -0.016 | 58.546 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 559 | VAL | 0 | 0.027 | 0.012 | 61.129 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 560 | MET | 0 | -0.048 | -0.017 | 55.457 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 561 | GLU | -1 | -0.866 | -0.933 | 59.810 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 562 | GLN | 0 | -0.020 | 0.006 | 62.808 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 563 | ALA | 0 | -0.017 | 0.002 | 62.983 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 564 | ILE | 0 | -0.060 | -0.011 | 60.588 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 565 | ASN | 0 | -0.034 | -0.026 | 64.806 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |