![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 4L36N
Calculation Name: 3CB4-D-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3CB4
Chain ID: D
UniProt ID: P60785
Base Structure: X-ray
Registration Date: 2023-09-26
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 | 529 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -10183593.449069 |
---|---|
FMO2-HF: Nuclear repulsion | 9977137.791609 |
FMO2-HF: Total energy | -206455.65746 |
FMO2-MP2: Total energy | -207054.616952 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F039614/ligand_interaction/ligand_F039614.png)
Ligand Interaction
![ligand interaction](./Kdata/F039614/ligand_interaction/ligand_interaction_F039614.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(D:1:MET)
Summations of interaction energy for
fragment #1(D:1:MET)
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. |
-22.479 | -12.75 | 18.756 | -8.455 | -20.033 | -0.054 |
Interaction energy analysis for fragmet #1(D:1:MET)
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 | D | 3 | ASN | 0 | -0.045 | -0.021 | 3.050 | -2.079 | 0.680 | -0.004 | -1.252 | -1.503 | 0.001 |
4 | D | 4 | ILE | 0 | -0.032 | -0.003 | 2.228 | -1.385 | -0.167 | 2.614 | -1.585 | -2.247 | -0.003 |
5 | D | 5 | ARG | 1 | 0.847 | 0.919 | 4.707 | 1.496 | 1.545 | -0.001 | -0.007 | -0.041 | 0.000 |
6 | D | 6 | ASN | 0 | -0.005 | -0.008 | 5.766 | 0.538 | 0.538 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | D | 7 | PHE | 0 | 0.015 | 0.015 | 9.486 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | D | 8 | SER | 0 | 0.073 | 0.029 | 13.174 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | D | 9 | ILE | 0 | -0.029 | -0.012 | 16.644 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | D | 10 | ILE | 0 | 0.034 | 0.028 | 19.944 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | D | 11 | ALA | 0 | 0.002 | -0.008 | 23.181 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | D | 12 | HIS | 0 | 0.007 | 0.004 | 26.260 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | D | 13 | ILE | 0 | -0.031 | -0.001 | 29.800 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | D | 14 | ASP | -1 | -0.767 | -0.898 | 29.054 | -0.250 | -0.250 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | D | 15 | HIS | 0 | 0.024 | 0.005 | 30.869 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | D | 16 | GLY | 0 | -0.011 | -0.004 | 34.451 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | D | 17 | LYS | 1 | 0.803 | 0.893 | 30.878 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | D | 18 | SER | 0 | -0.026 | -0.026 | 27.931 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | D | 19 | THR | 0 | 0.074 | 0.035 | 25.351 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | D | 20 | LEU | 0 | 0.002 | -0.013 | 21.838 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | D | 21 | SER | 0 | 0.056 | 0.029 | 20.764 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | D | 22 | ASP | -1 | -0.835 | -0.905 | 21.193 | -0.348 | -0.348 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | D | 23 | ARG | 1 | 0.802 | 0.886 | 23.560 | 0.297 | 0.297 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | D | 24 | ILE | 0 | 0.029 | 0.018 | 17.213 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | D | 25 | ILE | 0 | 0.027 | 0.007 | 19.149 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | D | 26 | GLN | 0 | -0.102 | -0.044 | 20.261 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | D | 27 | ILE | 0 | -0.045 | -0.002 | 19.634 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | D | 28 | CYS | 0 | -0.030 | -0.004 | 16.304 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | D | 29 | GLY | 0 | -0.008 | 0.002 | 17.161 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | D | 30 | GLY | 0 | -0.047 | -0.010 | 18.702 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | D | 57 | GLN | 0 | -0.014 | -0.020 | 19.664 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | D | 58 | SER | 0 | 0.002 | -0.002 | 15.598 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | D | 59 | VAL | 0 | -0.060 | -0.028 | 15.661 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | D | 60 | THR | 0 | -0.011 | -0.005 | 10.510 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | D | 61 | LEU | 0 | -0.077 | -0.040 | 12.137 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | D | 62 | ASP | -1 | -0.916 | -0.949 | 10.493 | -0.757 | -0.757 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | D | 63 | TYR | 0 | -0.012 | -0.044 | 11.677 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | D | 64 | LYS | 1 | 0.805 | 0.906 | 12.366 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | D | 65 | ALA | 0 | 0.067 | 0.037 | 13.661 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | D | 66 | SER | 0 | -0.068 | -0.067 | 15.278 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | D | 67 | ASP | -1 | -0.826 | -0.891 | 12.982 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | D | 68 | GLY | 0 | -0.033 | -0.011 | 15.843 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | D | 69 | GLU | -1 | -0.947 | -0.962 | 9.182 | 0.700 | 0.700 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | D | 70 | THR | 0 | -0.068 | -0.046 | 9.843 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | D | 71 | TYR | 0 | -0.042 | -0.033 | 7.645 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | D | 72 | GLN | 0 | -0.011 | -0.007 | 6.229 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | D | 73 | LEU | 0 | -0.004 | -0.013 | 7.488 | -0.477 | -0.477 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | D | 74 | ASN | 0 | -0.048 | -0.029 | 7.051 | 0.580 | 0.580 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | D | 75 | PHE | 0 | 0.014 | 0.009 | 10.645 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | D | 76 | ILE | 0 | -0.027 | -0.027 | 12.276 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | D | 77 | ASP | -1 | -0.912 | -0.957 | 16.447 | -0.461 | -0.461 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | D | 78 | THR | 0 | -0.040 | -0.032 | 19.682 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | D | 79 | PRO | 0 | 0.007 | 0.021 | 21.701 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | D | 80 | GLY | 0 | 0.069 | 0.030 | 24.856 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | D | 81 | HIS | 0 | -0.014 | -0.034 | 27.027 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | D | 82 | VAL | 0 | 0.015 | 0.019 | 27.621 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | D | 83 | ASP | -1 | -0.793 | -0.898 | 29.108 | -0.219 | -0.219 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | D | 84 | PHE | 0 | -0.032 | -0.021 | 25.496 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | D | 85 | SER | 0 | -0.014 | 0.003 | 24.580 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | D | 86 | TYR | 0 | -0.046 | -0.046 | 21.200 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | D | 87 | GLU | -1 | -0.838 | -0.927 | 21.116 | -0.405 | -0.405 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | D | 88 | VAL | 0 | 0.051 | 0.040 | 19.888 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | D | 89 | SER | 0 | -0.024 | -0.026 | 18.939 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | D | 90 | ARG | 1 | 0.844 | 0.922 | 15.864 | 0.553 | 0.553 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | D | 91 | SER | 0 | 0.052 | 0.009 | 15.049 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | D | 92 | LEU | 0 | 0.002 | 0.014 | 14.581 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | D | 93 | ALA | 0 | -0.012 | 0.006 | 13.318 | -0.105 | -0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | D | 94 | ALA | 0 | -0.046 | -0.038 | 10.319 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | D | 95 | CYS | 0 | -0.084 | -0.026 | 9.217 | -0.420 | -0.420 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | D | 96 | GLU | -1 | -0.683 | -0.840 | 7.085 | -3.265 | -3.265 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | D | 97 | GLY | 0 | 0.062 | 0.016 | 10.361 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | D | 98 | ALA | 0 | -0.030 | -0.018 | 13.753 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | D | 99 | LEU | 0 | -0.027 | 0.000 | 16.789 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | D | 100 | LEU | 0 | 0.038 | 0.022 | 19.477 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | D | 101 | VAL | 0 | -0.047 | -0.030 | 22.525 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | D | 102 | VAL | 0 | 0.024 | 0.008 | 25.024 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | D | 103 | ASP | -1 | -0.915 | -0.949 | 28.696 | -0.205 | -0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | D | 104 | ALA | 0 | 0.062 | 0.008 | 31.608 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | D | 105 | GLY | 0 | 0.010 | 0.023 | 33.369 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | D | 106 | GLN | 0 | -0.085 | -0.037 | 34.574 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | D | 107 | GLY | 0 | 0.067 | 0.048 | 33.757 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | D | 108 | VAL | 0 | -0.034 | -0.014 | 29.575 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | D | 109 | GLU | -1 | -0.873 | -0.937 | 31.934 | -0.204 | -0.204 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | D | 110 | ALA | 0 | 0.009 | -0.007 | 31.411 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | D | 111 | GLN | 0 | -0.003 | -0.006 | 30.184 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | D | 112 | THR | 0 | -0.083 | -0.051 | 27.116 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | D | 113 | LEU | 0 | -0.001 | 0.002 | 26.509 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | D | 114 | ALA | 0 | 0.050 | 0.045 | 26.694 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | D | 115 | ASN | 0 | -0.013 | -0.018 | 23.001 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | D | 116 | CYS | 0 | 0.021 | 0.014 | 22.154 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | D | 117 | TYR | 0 | -0.037 | -0.024 | 22.746 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | D | 118 | THR | 0 | 0.016 | -0.007 | 21.795 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | D | 119 | ALA | 0 | -0.069 | -0.034 | 18.730 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | D | 120 | MET | 0 | -0.008 | 0.008 | 18.031 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | D | 121 | GLU | -1 | -0.994 | -0.999 | 19.747 | -0.344 | -0.344 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | D | 122 | MET | 0 | -0.139 | -0.050 | 15.209 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | D | 123 | ASP | -1 | -0.882 | -0.949 | 14.362 | -0.561 | -0.561 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | D | 124 | LEU | 0 | -0.095 | -0.025 | 12.828 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | D | 125 | GLU | -1 | -0.920 | -0.967 | 14.078 | -0.495 | -0.495 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | D | 126 | VAL | 0 | -0.017 | -0.002 | 15.943 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | D | 127 | VAL | 0 | 0.015 | -0.005 | 16.816 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | D | 128 | PRO | 0 | 0.003 | 0.016 | 19.900 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | D | 129 | VAL | 0 | -0.037 | -0.029 | 21.449 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | D | 130 | LEU | 0 | 0.033 | 0.029 | 24.489 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | D | 131 | ASN | 0 | 0.023 | -0.022 | 27.118 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | D | 132 | LYN | 0 | -0.059 | -0.019 | 28.816 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | D | 133 | ILE | 0 | 0.060 | 0.021 | 30.876 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | D | 134 | ASP | -1 | -0.861 | -0.904 | 33.498 | -0.154 | -0.154 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | D | 135 | LEU | 0 | -0.074 | -0.035 | 35.355 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | D | 136 | PRO | 0 | -0.012 | -0.020 | 37.850 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | D | 137 | ALA | 0 | -0.032 | -0.016 | 40.052 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | D | 138 | ALA | 0 | -0.018 | 0.011 | 35.659 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | D | 139 | ASP | -1 | -0.874 | -0.951 | 36.429 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | D | 140 | PRO | 0 | 0.004 | -0.012 | 32.948 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | D | 141 | GLU | -1 | -0.803 | -0.889 | 33.664 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | D | 142 | ARG | 1 | 0.804 | 0.910 | 35.870 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | D | 143 | VAL | 0 | 0.009 | -0.001 | 31.468 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | D | 144 | ALA | 0 | -0.011 | -0.008 | 30.986 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | D | 145 | GLU | -1 | -0.925 | -0.959 | 31.714 | -0.149 | -0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | D | 146 | GLU | -1 | -0.841 | -0.924 | 33.849 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | D | 147 | ILE | 0 | -0.060 | -0.035 | 27.218 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | D | 148 | GLU | -1 | -0.860 | -0.930 | 29.372 | -0.216 | -0.216 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | D | 149 | ASP | -1 | -0.891 | -0.928 | 30.763 | -0.164 | -0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | D | 150 | ILE | 0 | -0.101 | -0.062 | 31.556 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | D | 151 | VAL | 0 | -0.021 | -0.017 | 25.678 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | D | 152 | GLY | 0 | -0.004 | 0.022 | 27.524 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | D | 153 | ILE | 0 | -0.046 | -0.034 | 22.721 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | D | 154 | ASP | -1 | -0.905 | -0.957 | 24.471 | -0.218 | -0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | D | 155 | ALA | 0 | 0.029 | 0.002 | 25.177 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | D | 156 | THR | 0 | -0.053 | -0.021 | 27.592 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | D | 157 | ASP | -1 | -0.893 | -0.944 | 24.236 | -0.224 | -0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | D | 158 | ALA | 0 | -0.002 | 0.019 | 24.852 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | D | 159 | VAL | 0 | -0.015 | 0.001 | 21.939 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | D | 160 | ARG | 1 | 0.846 | 0.900 | 25.130 | 0.173 | 0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | D | 161 | CYS | 0 | -0.049 | -0.014 | 25.743 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | D | 162 | SER | 0 | -0.016 | -0.025 | 27.871 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | D | 163 | ALA | 0 | 0.034 | 0.013 | 28.925 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | D | 164 | LYS | 1 | 0.873 | 0.943 | 30.363 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | D | 165 | THR | 0 | -0.022 | -0.025 | 31.649 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | D | 166 | GLY | 0 | 0.038 | 0.031 | 27.439 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | D | 167 | VAL | 0 | -0.010 | -0.013 | 26.164 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | D | 168 | GLY | 0 | 0.069 | 0.029 | 25.438 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | D | 169 | VAL | 0 | -0.009 | -0.014 | 21.530 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | D | 170 | GLN | 0 | -0.003 | -0.008 | 19.586 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | D | 171 | ASP | -1 | -0.874 | -0.945 | 19.820 | -0.253 | -0.253 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | D | 172 | VAL | 0 | -0.026 | -0.010 | 19.057 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | D | 173 | LEU | 0 | 0.009 | -0.004 | 15.448 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | D | 174 | GLU | -1 | -0.792 | -0.839 | 15.438 | -0.323 | -0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | D | 175 | ARG | 1 | 0.787 | 0.898 | 16.350 | 0.299 | 0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | D | 176 | LEU | 0 | 0.012 | 0.008 | 12.345 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | D | 177 | VAL | 0 | -0.022 | -0.007 | 10.839 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | D | 178 | ARG | 1 | 0.763 | 0.863 | 11.839 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | D | 179 | ASP | -1 | -0.780 | -0.862 | 14.245 | -0.387 | -0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | D | 180 | ILE | 0 | -0.006 | 0.020 | 10.427 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | D | 181 | PRO | 0 | 0.022 | 0.016 | 8.662 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | D | 182 | PRO | 0 | -0.061 | -0.029 | 3.874 | -0.404 | -0.191 | 0.000 | -0.044 | -0.169 | 0.000 |
157 | D | 183 | PRO | 0 | -0.040 | -0.008 | 2.486 | -1.528 | 0.082 | 0.934 | -0.579 | -1.966 | -0.001 |
158 | D | 184 | GLU | -1 | -0.938 | -0.969 | 2.594 | -6.546 | -3.606 | 1.485 | -2.069 | -2.357 | -0.029 |
159 | D | 185 | GLY | 0 | -0.001 | -0.019 | 2.465 | -2.447 | -2.260 | 2.093 | -0.517 | -1.763 | -0.004 |
160 | D | 186 | ASP | -1 | -0.891 | -0.955 | 2.942 | 5.626 | 5.951 | 0.346 | 0.503 | -1.174 | -0.011 |
161 | D | 187 | PRO | 0 | -0.040 | -0.031 | 3.047 | -2.045 | -1.401 | 1.411 | -0.502 | -1.554 | 0.008 |
162 | D | 188 | GLU | -1 | -0.950 | -0.979 | 5.560 | 0.787 | 0.797 | -0.001 | -0.023 | 0.014 | 0.000 |
163 | D | 189 | GLY | 0 | -0.028 | 0.007 | 8.359 | -0.367 | -0.367 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | D | 190 | PRO | 0 | -0.055 | -0.033 | 9.913 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | D | 191 | LEU | 0 | -0.034 | -0.015 | 9.442 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | D | 192 | GLN | 0 | -0.014 | 0.000 | 8.748 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | D | 193 | ALA | 0 | -0.002 | -0.001 | 8.677 | -0.227 | -0.227 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | D | 194 | LEU | 0 | 0.032 | 0.027 | 10.512 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | D | 195 | ILE | 0 | -0.025 | 0.001 | 12.505 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | D | 196 | ILE | 0 | -0.021 | -0.006 | 12.022 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | D | 197 | ASP | -1 | -0.778 | -0.899 | 15.957 | -0.392 | -0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | D | 198 | SER | 0 | -0.063 | -0.039 | 18.893 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | D | 199 | TRP | 0 | 0.011 | 0.031 | 19.120 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | D | 200 | PHE | 0 | -0.006 | -0.015 | 24.760 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | D | 201 | ASP | -1 | -0.830 | -0.904 | 26.099 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | D | 202 | ASN | 0 | -0.026 | -0.032 | 28.108 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | D | 203 | TYR | 0 | -0.106 | -0.047 | 29.032 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | D | 204 | LEU | 0 | -0.072 | -0.049 | 24.763 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | D | 205 | GLY | 0 | 0.010 | 0.022 | 26.655 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | D | 206 | VAL | 0 | -0.013 | -0.004 | 23.277 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | D | 207 | VAL | 0 | -0.051 | -0.016 | 20.128 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | D | 208 | SER | 0 | -0.011 | -0.011 | 17.683 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | D | 209 | LEU | 0 | 0.017 | 0.006 | 14.573 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | D | 210 | ILE | 0 | -0.024 | -0.029 | 10.827 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | D | 211 | ARG | 1 | 0.855 | 0.924 | 4.096 | 3.613 | 3.723 | -0.001 | -0.015 | -0.094 | 0.000 |
186 | D | 212 | ILE | 0 | -0.065 | -0.025 | 5.749 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | D | 213 | LYS | 1 | 0.830 | 0.928 | 4.696 | 0.993 | 1.095 | -0.001 | -0.004 | -0.097 | 0.000 |
188 | D | 214 | ASN | 0 | 0.048 | 0.026 | 4.093 | -1.004 | -0.822 | 0.000 | -0.039 | -0.144 | 0.000 |
189 | D | 215 | GLY | 0 | 0.054 | 0.050 | 5.922 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | D | 216 | THR | 0 | -0.026 | -0.037 | 6.839 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | D | 217 | LEU | 0 | -0.026 | 0.005 | 9.266 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | D | 218 | ARG | 1 | 0.911 | 0.937 | 10.442 | -0.706 | -0.706 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | D | 219 | LYS | 1 | 0.925 | 0.967 | 14.456 | 0.095 | 0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | D | 220 | GLY | 0 | -0.006 | -0.004 | 17.793 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | D | 221 | ASP | -1 | -0.782 | -0.853 | 15.433 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | D | 222 | LYS | 1 | 0.937 | 0.965 | 18.830 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | D | 223 | VAL | 0 | 0.030 | 0.019 | 16.063 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | D | 224 | LYS | 1 | 0.903 | 0.944 | 17.893 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | D | 225 | VAL | 0 | 0.048 | 0.040 | 18.117 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | D | 226 | MET | 0 | -0.071 | -0.025 | 16.177 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | D | 227 | SER | 0 | 0.007 | 0.020 | 19.798 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | D | 228 | THR | 0 | -0.037 | -0.015 | 22.721 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | D | 229 | GLY | 0 | 0.001 | -0.001 | 23.279 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | D | 230 | GLN | 0 | -0.025 | -0.014 | 24.221 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | D | 231 | THR | 0 | -0.043 | -0.025 | 22.326 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | D | 232 | TYR | 0 | -0.006 | -0.019 | 21.890 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | D | 233 | ASN | 0 | -0.015 | -0.014 | 21.550 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | D | 234 | ALA | 0 | 0.027 | 0.016 | 17.797 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | D | 235 | ASP | -1 | -0.904 | -0.945 | 19.805 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | D | 236 | ARG | 1 | 0.808 | 0.868 | 20.340 | 0.206 | 0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | D | 237 | LEU | 0 | 0.049 | 0.040 | 13.862 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | D | 238 | GLY | 0 | 0.013 | 0.004 | 14.852 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | D | 239 | ILE | 0 | 0.048 | 0.042 | 11.547 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | D | 240 | PHE | 0 | 0.052 | 0.019 | 14.856 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | D | 241 | THR | 0 | -0.035 | 0.013 | 15.818 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | D | 242 | PRO | 0 | 0.109 | 0.034 | 17.670 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | D | 243 | LYS | 1 | 0.910 | 0.947 | 19.847 | 0.272 | 0.272 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | D | 244 | GLN | 0 | 0.046 | 0.032 | 19.714 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | D | 245 | VAL | 0 | -0.042 | -0.018 | 16.853 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | D | 246 | ASP | -1 | -0.780 | -0.871 | 17.823 | -0.231 | -0.231 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | D | 247 | ARG | 1 | 0.896 | 0.945 | 12.875 | 0.430 | 0.430 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | D | 248 | THR | 0 | -0.008 | -0.019 | 13.552 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | D | 249 | GLU | -1 | -0.912 | -0.947 | 9.829 | 0.403 | 0.403 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | D | 250 | LEU | 0 | -0.012 | 0.010 | 9.693 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | D | 251 | LYS | 1 | 0.886 | 0.929 | 4.630 | 0.270 | 0.403 | -0.001 | -0.006 | -0.125 | 0.000 |
226 | D | 252 | CYS | 0 | 0.007 | 0.004 | 2.958 | -2.660 | -4.422 | 6.368 | -1.337 | -3.270 | 0.005 |
227 | D | 253 | GLY | 0 | 0.024 | 0.002 | 2.358 | -6.440 | -4.585 | 3.396 | -2.008 | -3.243 | -0.020 |
228 | D | 254 | GLU | -1 | -0.843 | -0.899 | 2.945 | 0.206 | -0.640 | 0.118 | 1.029 | -0.300 | 0.000 |
229 | D | 255 | VAL | 0 | 0.027 | -0.001 | 6.556 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | D | 256 | GLY | 0 | -0.014 | -0.009 | 9.921 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | D | 257 | TRP | 0 | -0.048 | -0.002 | 13.099 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | D | 258 | LEU | 0 | -0.043 | -0.038 | 15.657 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | D | 259 | VAL | 0 | 0.022 | 0.007 | 17.519 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | D | 260 | CYS | 0 | -0.023 | -0.006 | 20.873 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | D | 261 | ALA | 0 | 0.022 | 0.030 | 22.528 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | D | 262 | ILE | 0 | -0.049 | -0.039 | 21.518 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | D | 263 | LYS | 1 | 0.907 | 0.946 | 25.862 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | D | 264 | ASP | -1 | -0.802 | -0.913 | 28.677 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | D | 265 | ILE | 0 | 0.057 | 0.023 | 25.145 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | D | 266 | HIS | 0 | -0.001 | 0.009 | 24.759 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | D | 267 | GLY | 0 | -0.063 | -0.028 | 25.470 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | D | 268 | ALA | 0 | -0.025 | -0.021 | 20.590 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | D | 269 | PRO | 0 | -0.013 | 0.011 | 21.349 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | D | 270 | VAL | 0 | 0.104 | 0.060 | 19.128 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | D | 271 | GLY | 0 | -0.012 | -0.017 | 17.491 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | D | 272 | ASP | -1 | -0.849 | -0.909 | 17.100 | -0.325 | -0.325 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | D | 273 | THR | 0 | -0.030 | -0.023 | 13.554 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | D | 274 | LEU | 0 | -0.002 | 0.005 | 13.979 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | D | 275 | THR | 0 | 0.020 | -0.007 | 13.169 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | D | 276 | LEU | 0 | 0.001 | -0.004 | 13.908 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | D | 277 | ALA | 0 | -0.008 | -0.015 | 16.498 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | D | 278 | ARG | 1 | 0.785 | 0.865 | 16.052 | -0.199 | -0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | D | 279 | ASN | 0 | -0.027 | -0.019 | 14.677 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | D | 280 | PRO | 0 | -0.020 | 0.015 | 15.619 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | D | 281 | ALA | 0 | 0.038 | 0.005 | 12.965 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | D | 282 | GLU | -1 | -0.965 | -0.977 | 14.862 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | D | 283 | LYS | 1 | 0.933 | 0.962 | 15.374 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | D | 284 | ALA | 0 | 0.036 | 0.003 | 14.541 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | D | 285 | LEU | 0 | 0.015 | -0.003 | 9.852 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | D | 286 | PRO | 0 | 0.016 | 0.010 | 13.627 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | D | 287 | GLY | 0 | 0.015 | -0.006 | 15.807 | -0.067 | -0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | D | 288 | PHE | 0 | -0.009 | 0.007 | 18.535 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | D | 289 | LYS | 1 | 0.925 | 0.960 | 20.162 | 0.382 | 0.382 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | D | 290 | LYS | 1 | 0.949 | 0.983 | 23.896 | 0.213 | 0.213 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | D | 291 | VAL | 0 | 0.005 | 0.004 | 25.616 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | D | 292 | LYS | 1 | 0.939 | 0.970 | 28.142 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | D | 293 | PRO | 0 | 0.006 | 0.014 | 31.897 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | D | 294 | GLN | 0 | 0.010 | 0.004 | 33.393 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | D | 295 | VAL | 0 | -0.026 | -0.019 | 35.854 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | D | 296 | TYR | 0 | -0.026 | -0.028 | 38.446 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | D | 297 | ALA | 0 | 0.020 | 0.012 | 41.449 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | D | 298 | GLY | 0 | -0.004 | 0.013 | 43.898 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | D | 299 | LEU | 0 | 0.006 | 0.001 | 42.349 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | D | 300 | PHE | 0 | -0.013 | -0.024 | 46.678 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | D | 301 | PRO | 0 | 0.054 | 0.031 | 49.449 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | D | 302 | VAL | 0 | -0.019 | 0.004 | 51.188 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | D | 303 | SER | 0 | -0.002 | 0.008 | 53.911 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | D | 304 | SER | 0 | -0.007 | -0.017 | 53.839 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | D | 305 | ASP | -1 | -0.960 | -0.980 | 53.967 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | D | 306 | ASP | -1 | -0.877 | -0.938 | 50.014 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | D | 307 | TYR | 0 | -0.065 | -0.028 | 48.218 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | D | 308 | GLU | -1 | -0.837 | -0.906 | 47.899 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | D | 309 | ALA | 0 | 0.037 | 0.020 | 46.193 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | D | 310 | PHE | 0 | 0.041 | 0.017 | 43.451 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | D | 311 | ARG | 1 | 0.794 | 0.875 | 43.416 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | D | 312 | ASP | -1 | -0.920 | -0.973 | 42.184 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | D | 313 | ALA | 0 | -0.044 | -0.006 | 40.510 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | D | 314 | LEU | 0 | 0.009 | 0.008 | 38.831 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | D | 315 | GLY | 0 | 0.014 | 0.009 | 37.353 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | D | 316 | LYS | 1 | 0.901 | 0.939 | 36.200 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | D | 317 | LEU | 0 | 0.024 | 0.013 | 34.465 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | D | 318 | SER | 0 | -0.011 | 0.002 | 32.815 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | D | 319 | LEU | 0 | -0.096 | -0.034 | 31.590 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | D | 320 | ASN | 0 | -0.017 | -0.032 | 28.216 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | D | 321 | ASP | -1 | -0.744 | -0.837 | 28.065 | -0.255 | -0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | D | 322 | ALA | 0 | 0.006 | -0.004 | 26.311 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | D | 323 | SER | 0 | -0.099 | -0.058 | 28.377 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | D | 324 | LEU | 0 | -0.033 | 0.003 | 30.477 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | D | 325 | PHE | 0 | -0.032 | -0.004 | 33.857 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | D | 326 | TYR | 0 | 0.017 | 0.001 | 36.415 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | D | 327 | GLU | -1 | -0.804 | -0.866 | 39.830 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | D | 328 | PRO | 0 | -0.024 | -0.010 | 42.795 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | D | 329 | GLU | -1 | -0.899 | -0.969 | 46.332 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | D | 330 | SER | 0 | 0.006 | 0.012 | 49.135 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | D | 331 | SER | 0 | -0.070 | -0.029 | 52.797 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | D | 332 | SER | 0 | -0.032 | -0.058 | 55.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | D | 333 | ALA | 0 | -0.068 | -0.036 | 58.393 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | D | 334 | LEU | 0 | -0.001 | -0.003 | 52.761 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | D | 335 | GLY | 0 | 0.048 | 0.047 | 54.879 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | D | 336 | PHE | 0 | -0.016 | -0.028 | 51.793 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | D | 337 | GLY | 0 | 0.039 | 0.004 | 48.911 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | D | 338 | PHE | 0 | -0.026 | -0.013 | 43.698 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | D | 339 | ARG | 1 | 0.762 | 0.877 | 41.829 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | D | 340 | CYS | 0 | -0.048 | -0.035 | 39.991 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | D | 341 | GLY | 0 | 0.015 | -0.010 | 37.882 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | D | 342 | PHE | 0 | 0.002 | -0.010 | 35.080 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | D | 343 | LEU | 0 | -0.003 | -0.012 | 29.137 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | D | 344 | GLY | 0 | 0.026 | -0.002 | 32.950 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | D | 345 | LEU | 0 | -0.037 | 0.003 | 35.544 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | D | 346 | LEU | 0 | 0.071 | 0.037 | 32.192 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | D | 347 | HIS | 0 | 0.000 | 0.006 | 31.857 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | D | 348 | MET | 0 | -0.034 | -0.015 | 34.283 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | D | 349 | GLU | -1 | -0.931 | -0.994 | 37.836 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | D | 350 | ILE | 0 | -0.012 | 0.010 | 32.604 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | D | 351 | ILE | 0 | -0.023 | -0.012 | 34.345 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | D | 352 | GLN | 0 | 0.002 | -0.015 | 37.605 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | D | 353 | GLU | -1 | -0.775 | -0.847 | 39.173 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | D | 354 | ARG | 1 | 0.862 | 0.904 | 33.363 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | D | 355 | LEU | 0 | -0.067 | -0.058 | 39.303 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | D | 356 | GLU | -1 | -0.945 | -0.951 | 42.016 | -0.121 | -0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | D | 357 | ARG | 1 | 0.790 | 0.868 | 38.931 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | D | 358 | GLU | -1 | -0.869 | -0.904 | 36.599 | -0.174 | -0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | D | 359 | TYR | 0 | -0.137 | -0.094 | 37.615 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | D | 360 | ASP | -1 | -0.969 | -0.957 | 43.742 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | D | 361 | LEU | 0 | -0.026 | -0.008 | 44.307 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | D | 362 | ASP | -1 | -0.854 | -0.916 | 47.456 | -0.099 | -0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | D | 363 | LEU | 0 | -0.061 | -0.046 | 45.204 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | D | 364 | ILE | 0 | -0.046 | -0.021 | 49.320 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | D | 365 | THR | 0 | 0.036 | 0.017 | 45.355 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | D | 366 | THR | 0 | -0.048 | -0.025 | 48.014 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | D | 367 | ALA | 0 | -0.043 | -0.028 | 47.251 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | D | 368 | PRO | 0 | 0.057 | 0.040 | 42.743 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | D | 369 | THR | 0 | -0.024 | -0.014 | 44.154 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | D | 370 | VAL | 0 | 0.004 | 0.001 | 40.630 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | D | 371 | VAL | 0 | 0.012 | 0.015 | 37.826 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | D | 372 | TYR | 0 | 0.001 | -0.015 | 40.384 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | D | 373 | GLU | -1 | -0.790 | -0.863 | 39.024 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | D | 374 | VAL | 0 | -0.015 | -0.016 | 42.379 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | D | 375 | GLU | -1 | -0.840 | -0.890 | 45.097 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | D | 376 | THR | 0 | 0.010 | 0.002 | 47.196 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | D | 377 | THR | 0 | -0.062 | -0.043 | 49.907 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | D | 378 | SER | 0 | -0.088 | -0.024 | 50.181 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | D | 379 | ARG | 1 | 0.900 | 0.915 | 47.701 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | D | 380 | GLU | -1 | -0.926 | -0.953 | 44.916 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | D | 381 | VAL | 0 | 0.015 | 0.004 | 40.382 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | D | 382 | ILE | 0 | -0.029 | -0.002 | 42.117 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | D | 383 | TYR | 0 | -0.053 | -0.059 | 37.730 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | D | 384 | VAL | 0 | -0.051 | -0.024 | 41.669 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | D | 385 | ASP | -1 | -0.778 | -0.868 | 40.455 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | D | 386 | SER | 0 | 0.044 | 0.012 | 43.123 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | D | 387 | PRO | 0 | 0.064 | 0.025 | 46.589 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | D | 388 | SER | 0 | -0.007 | -0.004 | 49.406 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | D | 389 | LYS | 1 | 0.899 | 0.948 | 45.092 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | D | 390 | LEU | 0 | -0.037 | -0.005 | 48.482 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | D | 391 | PRO | 0 | 0.007 | 0.003 | 49.177 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | D | 392 | ALA | 0 | 0.000 | -0.005 | 52.112 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | D | 393 | VAL | 0 | 0.068 | 0.015 | 55.040 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | D | 394 | ASN | 0 | -0.053 | -0.026 | 56.390 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | D | 395 | ASN | 0 | -0.023 | -0.020 | 54.001 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | D | 396 | ILE | 0 | 0.009 | 0.030 | 50.539 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | D | 397 | TYR | 0 | -0.025 | 0.004 | 49.211 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | D | 398 | GLU | -1 | -0.847 | -0.925 | 46.441 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | D | 399 | LEU | 0 | -0.022 | 0.004 | 46.661 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | D | 400 | ARG | 1 | 0.744 | 0.822 | 42.267 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | D | 401 | GLU | -1 | -0.770 | -0.857 | 43.620 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | D | 402 | PRO | 0 | 0.011 | 0.013 | 39.162 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | D | 403 | ILE | 0 | -0.036 | -0.010 | 39.405 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | D | 404 | ALA | 0 | 0.036 | 0.002 | 36.872 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | D | 405 | GLU | -1 | -0.801 | -0.886 | 33.282 | -0.193 | -0.193 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | D | 406 | CYS | 0 | -0.040 | -0.030 | 35.428 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | D | 407 | HIS | 0 | 0.057 | 0.032 | 32.119 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | D | 408 | MET | 0 | -0.039 | -0.037 | 35.651 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | D | 409 | LEU | 0 | 0.009 | 0.014 | 34.484 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | D | 410 | LEU | 0 | 0.005 | 0.006 | 38.096 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | D | 411 | PRO | 0 | 0.081 | 0.047 | 41.537 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | D | 412 | GLN | 0 | 0.013 | -0.012 | 43.917 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | D | 413 | ALA | 0 | -0.063 | -0.029 | 46.538 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | D | 414 | TYR | 0 | 0.038 | 0.027 | 46.296 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | D | 415 | LEU | 0 | 0.043 | 0.028 | 45.945 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | D | 416 | GLY | 0 | 0.009 | 0.001 | 47.524 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | D | 417 | ASN | 0 | -0.022 | -0.021 | 50.370 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | D | 418 | VAL | 0 | 0.032 | 0.021 | 44.231 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | D | 419 | ILE | 0 | 0.023 | 0.019 | 45.839 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | D | 420 | THR | 0 | -0.023 | -0.010 | 47.950 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | D | 421 | LEU | 0 | -0.030 | -0.003 | 46.993 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | D | 422 | CYS | 0 | -0.028 | -0.009 | 45.057 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | D | 423 | VAL | 0 | -0.012 | -0.002 | 47.057 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | D | 424 | GLU | -1 | -0.907 | -0.927 | 49.811 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | D | 425 | LYS | 1 | 0.806 | 0.924 | 46.820 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | D | 426 | ARG | 1 | 0.756 | 0.830 | 47.220 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | D | 427 | GLY | 0 | 0.005 | 0.015 | 45.393 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | D | 428 | VAL | 0 | -0.011 | -0.022 | 44.387 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | D | 429 | GLN | 0 | -0.037 | -0.019 | 43.325 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | D | 430 | THR | 0 | -0.017 | -0.012 | 38.071 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | D | 431 | ASN | 0 | -0.011 | -0.006 | 36.737 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | D | 432 | MET | 0 | -0.042 | -0.010 | 40.338 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | D | 433 | VAL | 0 | 0.029 | 0.023 | 36.788 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | D | 434 | TYR | 0 | -0.023 | -0.010 | 39.746 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | D | 435 | HIS | 1 | 0.905 | 0.947 | 35.235 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | D | 436 | GLY | 0 | 0.069 | 0.043 | 39.529 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | D | 437 | ASN | 0 | -0.082 | -0.046 | 42.196 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | D | 438 | GLN | 0 | 0.035 | 0.012 | 37.988 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | D | 439 | VAL | 0 | -0.035 | -0.023 | 39.974 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | D | 440 | ALA | 0 | 0.029 | 0.003 | 36.443 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | D | 441 | LEU | 0 | -0.033 | -0.017 | 38.441 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | D | 442 | THR | 0 | 0.016 | 0.025 | 35.946 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | D | 443 | TYR | 0 | 0.015 | 0.010 | 38.729 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | D | 444 | GLU | -1 | -0.816 | -0.887 | 38.490 | -0.155 | -0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | D | 445 | ILE | 0 | 0.010 | 0.001 | 40.690 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | D | 446 | PRO | 0 | 0.014 | 0.017 | 41.173 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | D | 447 | MET | 0 | 0.039 | 0.023 | 35.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | D | 448 | ALA | 0 | -0.002 | -0.008 | 40.989 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | D | 449 | GLU | -1 | -0.773 | -0.872 | 44.092 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | D | 450 | VAL | 0 | -0.017 | -0.006 | 38.970 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | D | 451 | VAL | 0 | 0.028 | 0.003 | 39.576 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | D | 452 | LEU | 0 | -0.038 | -0.009 | 42.141 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | D | 453 | ASP | -1 | -0.842 | -0.932 | 44.890 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | D | 454 | PHE | 0 | -0.013 | -0.011 | 41.649 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | D | 455 | PHE | 0 | 0.048 | 0.015 | 37.805 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | D | 456 | ASP | -1 | -0.804 | -0.889 | 42.426 | -0.140 | -0.140 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | D | 457 | ARG | 1 | 0.796 | 0.880 | 45.126 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | D | 458 | LEU | 0 | 0.024 | 0.009 | 41.270 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | D | 459 | LYS | 1 | 1.010 | 1.026 | 39.687 | 0.170 | 0.170 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | D | 460 | SER | 0 | -0.044 | -0.024 | 44.701 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | D | 461 | THR | 0 | -0.041 | -0.020 | 47.742 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | D | 462 | SER | 0 | -0.042 | -0.032 | 45.013 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | D | 463 | ARG | 1 | 0.859 | 0.907 | 46.907 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | D | 464 | GLY | 0 | -0.015 | 0.000 | 43.761 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | D | 465 | TYR | 0 | -0.044 | -0.037 | 41.902 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | D | 466 | ALA | 0 | -0.015 | -0.004 | 40.838 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | D | 467 | SER | 0 | -0.026 | 0.008 | 35.712 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | D | 468 | LEU | 0 | 0.013 | -0.010 | 37.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | D | 469 | ASP | -1 | -0.845 | -0.926 | 30.924 | -0.278 | -0.278 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | D | 470 | TYR | 0 | -0.007 | -0.014 | 33.535 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | D | 471 | ASN | 0 | 0.017 | 0.019 | 30.681 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | D | 472 | PHE | 0 | -0.016 | -0.023 | 32.299 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | D | 473 | LYS | 1 | 0.796 | 0.911 | 32.625 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | D | 474 | ARG | 1 | 0.813 | 0.871 | 34.716 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | D | 475 | PHE | 0 | 0.055 | 0.029 | 36.791 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | D | 476 | GLN | 0 | 0.013 | -0.011 | 40.098 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | D | 477 | ALA | 0 | -0.001 | 0.012 | 43.469 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | D | 478 | SER | 0 | -0.030 | -0.022 | 46.998 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | D | 479 | ASP | -1 | -0.826 | -0.894 | 49.306 | -0.073 | -0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | D | 480 | MET | 0 | -0.059 | -0.005 | 48.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | D | 481 | VAL | 0 | -0.026 | -0.024 | 51.653 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | D | 482 | ARG | 1 | 0.841 | 0.905 | 52.872 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | D | 483 | VAL | 0 | -0.017 | -0.010 | 54.108 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | D | 484 | ASP | -1 | -0.785 | -0.865 | 55.128 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | D | 485 | VAL | 0 | 0.039 | 0.020 | 56.110 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | D | 486 | LEU | 0 | -0.038 | -0.011 | 58.444 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | D | 487 | ILE | 0 | 0.019 | -0.003 | 60.092 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | D | 488 | ASN | 0 | 0.009 | 0.003 | 62.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | D | 489 | GLY | 0 | -0.049 | -0.020 | 65.717 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | D | 490 | GLU | -1 | -0.833 | -0.879 | 61.032 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | D | 491 | ARG | 1 | 0.855 | 0.911 | 57.388 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | D | 492 | VAL | 0 | 0.000 | 0.000 | 54.756 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | D | 493 | ASP | -1 | -0.865 | -0.946 | 52.341 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | D | 494 | ALA | 0 | 0.015 | 0.019 | 50.135 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | D | 495 | LEU | 0 | -0.041 | -0.030 | 50.332 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | D | 496 | ALA | 0 | -0.041 | -0.005 | 52.358 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | D | 497 | LEU | 0 | 0.013 | 0.005 | 50.171 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | D | 498 | ILE | 0 | -0.011 | -0.008 | 47.405 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | D | 499 | THR | 0 | -0.004 | -0.005 | 49.335 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | D | 500 | HIS | 0 | 0.089 | 0.044 | 50.762 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | D | 501 | ARG | 1 | 0.890 | 0.917 | 52.505 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | D | 502 | ASP | -1 | -0.868 | -0.905 | 55.613 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | D | 503 | ASN | 0 | -0.047 | -0.032 | 55.356 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | D | 504 | SER | 0 | -0.034 | -0.029 | 55.943 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | D | 505 | GLN | 0 | 0.001 | -0.011 | 56.860 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | D | 506 | ASN | 0 | -0.012 | -0.003 | 57.146 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | D | 507 | ARG | 1 | 0.902 | 0.927 | 50.363 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | D | 508 | GLY | 0 | 0.018 | 0.028 | 55.960 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | D | 509 | ARG | 1 | 0.857 | 0.897 | 58.614 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | D | 510 | GLU | -1 | -0.896 | -0.949 | 54.924 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | D | 511 | LEU | 0 | 0.010 | 0.020 | 54.115 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | D | 512 | VAL | 0 | -0.020 | -0.025 | 56.791 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | D | 513 | GLU | -1 | -0.853 | -0.919 | 59.799 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | D | 514 | LYS | 1 | 0.968 | 1.000 | 50.457 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | D | 515 | MET | 0 | -0.009 | -0.009 | 56.439 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | D | 516 | LYS | 1 | 0.738 | 0.844 | 58.607 | 0.068 | 0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | D | 517 | ASP | -1 | -0.936 | -0.946 | 57.968 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | D | 518 | LEU | 0 | -0.043 | -0.016 | 54.035 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | D | 519 | ILE | 0 | -0.040 | -0.007 | 58.279 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | D | 520 | PRO | 0 | 0.049 | 0.038 | 61.553 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | D | 521 | ARG | 1 | 0.810 | 0.869 | 64.379 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | D | 522 | GLN | 0 | 0.053 | 0.015 | 64.179 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | D | 523 | GLN | 0 | -0.015 | 0.006 | 68.777 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | D | 524 | PHE | 0 | 0.017 | -0.001 | 70.053 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | D | 525 | ASP | -1 | -0.828 | -0.921 | 69.868 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | D | 526 | ILE | 0 | -0.004 | 0.014 | 64.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | D | 527 | ALA | 0 | -0.054 | -0.031 | 67.297 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | D | 528 | ILE | 0 | 0.058 | 0.040 | 61.140 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | D | 529 | GLN | 0 | 0.000 | -0.021 | 62.867 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | D | 530 | ALA | 0 | 0.052 | 0.031 | 59.419 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | D | 531 | ALA | 0 | -0.013 | -0.015 | 60.289 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | D | 532 | ILE | 0 | 0.070 | 0.046 | 58.349 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | D | 533 | GLY | 0 | 0.000 | 0.003 | 59.864 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | D | 534 | THR | 0 | -0.036 | -0.039 | 61.556 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | D | 535 | HIS | 0 | -0.008 | 0.007 | 64.403 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | D | 536 | ILE | 0 | -0.020 | -0.011 | 63.993 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | D | 537 | ILE | 0 | -0.022 | -0.001 | 59.616 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | D | 538 | ALA | 0 | 0.033 | 0.027 | 62.109 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | D | 539 | ARG | 1 | 0.891 | 0.948 | 64.134 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | D | 540 | SER | 0 | 0.021 | 0.009 | 65.191 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | D | 541 | THR | 0 | -0.043 | -0.011 | 66.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | D | 542 | VAL | 0 | 0.046 | 0.037 | 64.859 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | D | 543 | LYS | 1 | 0.866 | 0.925 | 68.257 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | D | 544 | GLN | 0 | 0.039 | 0.037 | 71.060 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | D | 545 | LEU | 0 | -0.047 | -0.026 | 70.451 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | D | 546 | ARG | 1 | 0.917 | 0.961 | 73.571 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | D | 547 | LYS | 1 | 1.021 | 0.991 | 76.073 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | D | 548 | ASN | 0 | -0.003 | -0.020 | 76.892 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | D | 549 | VAL | 0 | -0.039 | 0.007 | 72.671 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | D | 550 | LEU | 0 | 0.068 | 0.037 | 69.529 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | D | 551 | ALA | 0 | 0.050 | 0.025 | 66.446 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | D | 552 | LYS | 1 | 0.838 | 0.907 | 65.683 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | D | 553 | CYS | 0 | 0.053 | 0.015 | 60.855 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | D | 554 | TYR | 0 | -0.011 | 0.011 | 60.227 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | D | 555 | GLY | 0 | 0.060 | 0.042 | 56.941 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |