FMODB ID: 4J7ZN
Calculation Name: 4NA2-B-Xray372
Preferred Name:
Target Type:
Ligand Name: (2s)-2-amino-3-oxopropyl 4-{[(2s)-2-hydroxy-4-methylpentanoyl]amino}butanoate
ligand 3-letter code: 2JF
PDB ID: 4NA2
Chain ID: B
UniProt ID: P40806
Base Structure: X-ray
Registration Date: 2023-09-24
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
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 | 585 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -12848815.883527 |
---|---|
FMO2-HF: Nuclear repulsion | 12619325.530092 |
FMO2-HF: Total energy | -229490.353435 |
FMO2-MP2: Total energy | -230157.73027 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(B:4:PHE)
Summations of interaction energy for
fragment #1(B:4:PHE)
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. |
-12.484 | 1.122 | 8.165 | -5.787 | -15.985 | -0.011 |
Interaction energy analysis for fragmet #1(B:4:PHE)
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 | B | 6 | PRO | 0 | 0.006 | 0.013 | 2.638 | -0.518 | 2.643 | 0.958 | -1.281 | -2.838 | 0.003 |
4 | B | 7 | VAL | 0 | 0.024 | 0.008 | 3.612 | 0.153 | 0.469 | 0.016 | 0.151 | -0.483 | 0.001 |
5 | B | 8 | ALA | 0 | -0.012 | -0.004 | 5.631 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 9 | ILE | 0 | 0.006 | -0.005 | 9.003 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 10 | VAL | 0 | -0.007 | -0.010 | 11.229 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 11 | GLY | 0 | 0.028 | 0.017 | 14.423 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 12 | ILE | 0 | -0.047 | -0.007 | 15.309 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 13 | SER | 0 | -0.019 | -0.016 | 17.751 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 14 | GLY | 0 | 0.020 | 0.000 | 20.193 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 15 | ARG | 1 | 0.845 | 0.946 | 22.716 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 16 | PHE | 0 | -0.006 | -0.011 | 20.590 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 17 | PRO | 0 | 0.015 | 0.015 | 26.555 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 18 | GLY | 0 | 0.013 | 0.011 | 29.659 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 19 | ALA | 0 | -0.058 | -0.013 | 27.395 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 20 | MET | 0 | 0.020 | 0.000 | 28.636 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 21 | ASP | -1 | -0.870 | -0.953 | 26.488 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 22 | ILE | 0 | 0.016 | -0.008 | 21.033 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 23 | ASP | -1 | -0.896 | -0.944 | 24.232 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 24 | GLU | -1 | -0.885 | -0.926 | 26.871 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 25 | PHE | 0 | -0.004 | -0.012 | 21.156 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 26 | TRP | 0 | 0.025 | -0.005 | 23.068 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 27 | LYS | 1 | 0.959 | 0.995 | 25.732 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 28 | ASN | 0 | -0.012 | -0.013 | 28.837 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 29 | LEU | 0 | -0.036 | -0.011 | 23.037 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 30 | GLU | -1 | -1.012 | -1.001 | 27.358 | -0.112 | -0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 31 | GLU | -1 | -0.927 | -0.977 | 28.907 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 32 | GLY | 0 | -0.042 | -0.008 | 30.223 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 33 | LYS | 1 | 0.888 | 0.944 | 31.245 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 34 | ASP | -1 | -0.863 | -0.940 | 31.033 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 35 | SER | 0 | -0.010 | -0.022 | 30.800 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 36 | ILE | 0 | -0.070 | -0.009 | 30.735 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 37 | THR | 0 | -0.012 | -0.009 | 34.210 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 38 | GLU | -1 | -0.920 | -0.977 | 37.275 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 39 | VAL | 0 | -0.017 | -0.009 | 37.568 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 40 | PRO | 0 | 0.002 | 0.026 | 37.809 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 41 | LYS | 1 | 0.901 | 0.919 | 40.814 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 42 | ASP | -1 | -0.912 | -0.956 | 39.994 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 43 | ARG | 1 | 0.773 | 0.891 | 33.585 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 44 | TRP | 0 | 0.020 | -0.004 | 36.326 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 45 | ASP | -1 | -0.844 | -0.923 | 42.607 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 46 | TRP | 0 | 0.022 | -0.006 | 42.419 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 47 | ARG | 1 | 0.936 | 0.963 | 44.216 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 48 | GLU | -1 | -0.973 | -0.964 | 47.568 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 49 | HIS | 0 | -0.035 | -0.028 | 44.238 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 50 | TYR | 0 | 0.000 | 0.003 | 44.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 51 | GLY | 0 | -0.015 | -0.016 | 46.537 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 52 | ASN | 0 | 0.010 | -0.001 | 46.073 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 53 | PRO | 0 | 0.042 | 0.044 | 42.205 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 54 | ASP | -1 | -0.884 | -0.932 | 43.266 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 55 | THR | 0 | -0.092 | -0.054 | 45.489 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 56 | ASP | -1 | -0.885 | -0.924 | 48.047 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 57 | VAL | 0 | -0.010 | -0.022 | 46.975 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 58 | ASN | 0 | -0.056 | -0.036 | 44.568 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 59 | LYS | 1 | 0.923 | 0.986 | 45.454 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 60 | THR | 0 | 0.029 | 0.001 | 39.851 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 61 | ASP | -1 | -0.826 | -0.910 | 41.566 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 62 | ILE | 0 | -0.062 | -0.018 | 36.457 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 63 | LYS | 1 | 0.874 | 0.944 | 39.864 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 64 | TRP | 0 | 0.017 | -0.001 | 36.688 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 65 | GLY | 0 | 0.003 | -0.008 | 33.417 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 66 | GLY | 0 | 0.044 | 0.026 | 30.633 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 67 | PHE | 0 | 0.004 | -0.002 | 30.759 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 68 | ILE | 0 | -0.021 | -0.007 | 28.259 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 69 | ASP | -1 | -0.867 | -0.930 | 31.717 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 70 | GLY | 0 | -0.014 | -0.018 | 32.582 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 71 | VAL | 0 | 0.007 | 0.004 | 31.141 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 72 | ALA | 0 | -0.022 | -0.016 | 33.195 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 73 | GLU | -1 | -0.941 | -0.968 | 34.093 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 74 | PHE | 0 | -0.045 | -0.032 | 30.214 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 75 | ASP | -1 | -0.828 | -0.918 | 33.466 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 76 | PRO | 0 | 0.010 | 0.005 | 34.148 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 77 | LEU | 0 | 0.034 | 0.002 | 35.496 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 78 | PHE | 0 | -0.081 | -0.018 | 29.336 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 79 | PHE | 0 | -0.013 | -0.022 | 27.724 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 80 | GLY | 0 | -0.028 | 0.006 | 32.498 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 81 | ILE | 0 | -0.034 | -0.016 | 31.931 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 82 | SER | 0 | -0.037 | -0.052 | 36.338 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 83 | PRO | 0 | 0.049 | -0.004 | 39.453 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 84 | ARG | 1 | 0.947 | 0.991 | 41.141 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 85 | GLU | -1 | -0.827 | -0.898 | 37.539 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 86 | ALA | 0 | 0.009 | 0.008 | 36.449 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 87 | ASP | -1 | -0.834 | -0.913 | 36.869 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 88 | TYR | 0 | -0.041 | -0.033 | 37.949 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 89 | VAL | 0 | -0.033 | -0.001 | 31.847 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 90 | ASP | -1 | -0.835 | -0.925 | 30.416 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 91 | PRO | 0 | 0.035 | 0.024 | 30.856 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 92 | GLN | 0 | 0.014 | 0.032 | 25.386 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 93 | GLN | 0 | 0.017 | 0.005 | 26.240 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 94 | ARG | 1 | 0.830 | 0.914 | 27.398 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 95 | LEU | 0 | 0.043 | 0.026 | 26.449 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 96 | LEU | 0 | 0.004 | 0.014 | 21.921 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 97 | MET | 0 | 0.011 | -0.010 | 23.566 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 98 | THR | 0 | -0.026 | -0.024 | 25.470 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 99 | TYR | 0 | 0.013 | -0.019 | 22.335 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 100 | VAL | 0 | 0.024 | 0.022 | 19.691 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 101 | TRP | 0 | 0.013 | -0.011 | 21.136 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 102 | LYS | 1 | 0.884 | 0.944 | 23.533 | 0.089 | 0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 103 | ALA | 0 | -0.010 | 0.010 | 18.010 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 104 | LEU | 0 | 0.019 | 0.013 | 18.667 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 105 | GLU | -1 | -0.758 | -0.884 | 20.664 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 106 | ASP | -1 | -0.793 | -0.862 | 19.924 | -0.194 | -0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 107 | ALA | 0 | 0.034 | 0.010 | 17.514 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 108 | GLY | 0 | -0.067 | -0.011 | 19.127 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 109 | CYS | 0 | -0.041 | -0.019 | 18.585 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 110 | SER | 0 | 0.043 | 0.032 | 21.350 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 111 | PRO | 0 | 0.073 | 0.042 | 23.700 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 112 | GLN | 0 | -0.013 | -0.006 | 25.000 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 113 | SER | 0 | -0.074 | -0.050 | 22.790 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 114 | LEU | 0 | 0.049 | 0.006 | 18.711 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 115 | SER | 0 | 0.006 | 0.039 | 22.184 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 116 | GLY | 0 | -0.021 | -0.006 | 24.347 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 117 | THR | 0 | -0.035 | -0.016 | 18.964 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 118 | GLY | 0 | 0.063 | 0.018 | 17.663 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 119 | THR | 0 | -0.036 | -0.033 | 15.573 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 120 | GLY | 0 | 0.053 | 0.031 | 14.349 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 121 | ILE | 0 | -0.056 | -0.030 | 15.252 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 122 | PHE | 0 | 0.019 | 0.012 | 11.984 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 123 | ILE | 0 | -0.020 | -0.012 | 15.257 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 124 | GLY | 0 | 0.026 | 0.011 | 17.803 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 125 | THR | 0 | -0.023 | -0.024 | 19.078 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 126 | GLY | 0 | 0.047 | 0.018 | 22.717 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 127 | ASN | 0 | -0.010 | -0.010 | 25.718 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 128 | THR | 0 | 0.003 | -0.001 | 28.190 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 129 | GLY | 0 | 0.059 | 0.032 | 30.839 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 130 | TYR | 0 | 0.011 | -0.007 | 33.631 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 131 | LYS | 1 | 0.973 | 0.983 | 35.131 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 132 | ASP | -1 | -0.886 | -0.947 | 36.847 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 133 | LEU | 0 | -0.032 | -0.017 | 38.107 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 134 | PHE | 0 | -0.012 | -0.011 | 38.391 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 135 | HIS | 0 | -0.022 | -0.003 | 41.757 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 136 | ARG | 1 | 0.907 | 0.956 | 41.792 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 137 | ALA | 0 | -0.027 | -0.004 | 44.700 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 138 | ASN | 0 | -0.068 | -0.034 | 46.561 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 139 | LEU | 0 | -0.022 | 0.000 | 43.947 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 140 | PRO | 0 | -0.010 | 0.001 | 45.839 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 141 | ILE | 0 | 0.000 | -0.007 | 42.152 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 142 | GLU | -1 | -0.922 | -0.955 | 42.515 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 143 | GLY | 0 | 0.002 | -0.012 | 41.222 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 144 | HIS | 0 | 0.014 | -0.003 | 38.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 145 | ALA | 0 | 0.036 | 0.022 | 36.868 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 146 | ALA | 0 | -0.001 | 0.003 | 35.417 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 147 | THR | 0 | 0.012 | -0.007 | 32.217 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 148 | GLY | 0 | 0.041 | 0.032 | 32.075 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 149 | HIS | 0 | -0.060 | -0.055 | 32.341 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | B | 150 | MET | 0 | -0.027 | -0.007 | 33.289 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 151 | ILE | 0 | -0.010 | 0.002 | 27.942 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 152 | PRO | 0 | 0.038 | 0.017 | 25.564 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 153 | SER | 0 | 0.031 | 0.010 | 23.653 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 154 | VAL | 0 | -0.003 | -0.002 | 24.239 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 155 | GLY | 0 | 0.021 | 0.013 | 25.199 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 156 | PRO | 0 | 0.016 | 0.011 | 20.355 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 157 | ASN | 0 | 0.030 | 0.011 | 22.200 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 158 | ARG | 1 | 0.830 | 0.913 | 24.069 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 159 | MET | 0 | -0.024 | 0.006 | 22.630 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 160 | SER | 0 | 0.047 | 0.013 | 21.286 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 161 | TYR | 0 | -0.050 | -0.021 | 23.115 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 162 | PHE | 0 | -0.057 | -0.028 | 26.702 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 163 | LEU | 0 | -0.009 | -0.006 | 21.661 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 164 | ASN | 0 | -0.067 | -0.023 | 24.846 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 165 | ILE | 0 | -0.034 | -0.001 | 18.852 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 166 | HIS | 0 | -0.029 | -0.030 | 20.449 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 167 | GLY | 0 | 0.005 | 0.026 | 16.388 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 168 | PRO | 0 | -0.027 | -0.016 | 13.956 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 169 | SER | 0 | 0.048 | 0.029 | 16.550 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 170 | GLU | -1 | -0.909 | -0.964 | 15.362 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 171 | PRO | 0 | -0.063 | -0.022 | 18.057 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 172 | VAL | 0 | -0.019 | -0.026 | 14.678 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 173 | GLU | -1 | -0.870 | -0.956 | 17.981 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 174 | THR | 0 | -0.002 | -0.017 | 16.730 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 175 | ALA | 0 | 0.022 | 0.016 | 19.673 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 176 | 2JF | 0 | -0.033 | -0.021 | 21.041 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 177 | SER | 0 | 0.022 | 0.026 | 16.068 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 178 | SER | 0 | 0.010 | 0.005 | 15.717 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 179 | SER | 0 | 0.017 | 0.008 | 15.612 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 180 | LEU | 0 | -0.052 | -0.023 | 11.448 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 181 | VAL | 0 | 0.004 | 0.001 | 11.151 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 182 | ALA | 0 | -0.008 | 0.010 | 11.149 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 183 | ILE | 0 | 0.005 | 0.007 | 7.458 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 184 | HIS | 0 | 0.054 | 0.060 | 6.734 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 185 | ARG | 1 | 0.869 | 0.954 | 6.886 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 186 | ALA | 0 | 0.007 | 0.000 | 9.054 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 187 | VAL | 0 | 0.013 | -0.010 | 2.790 | -0.767 | -0.125 | 0.481 | -0.191 | -0.933 | 0.000 |
185 | B | 188 | THR | 0 | -0.052 | -0.042 | 4.682 | -0.071 | 0.050 | -0.001 | -0.012 | -0.108 | 0.000 |
186 | B | 189 | ALA | 0 | -0.016 | -0.006 | 5.797 | 0.205 | 0.205 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 190 | MET | 0 | -0.067 | -0.018 | 6.431 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 191 | GLN | 0 | -0.027 | -0.022 | 2.930 | -2.869 | 0.033 | 3.063 | -1.831 | -4.134 | -0.013 |
189 | B | 192 | ASN | 0 | -0.030 | -0.019 | 5.996 | 0.308 | 0.308 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 193 | GLY | 0 | 0.001 | 0.001 | 9.024 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 194 | ASP | -1 | -0.936 | -0.946 | 11.220 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 195 | CYS | 0 | -0.089 | -0.043 | 11.475 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 196 | GLU | -1 | -0.879 | -0.934 | 11.402 | 0.195 | 0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 197 | MET | 0 | -0.019 | -0.009 | 11.735 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 198 | ALA | 0 | 0.024 | 0.000 | 10.894 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 199 | ILE | 0 | -0.006 | 0.016 | 12.912 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 200 | ALA | 0 | 0.025 | 0.011 | 12.057 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 201 | GLY | 0 | 0.054 | 0.006 | 14.060 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 202 | GLY | 0 | -0.035 | -0.011 | 16.266 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 203 | VAL | 0 | -0.026 | -0.007 | 19.385 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 204 | ASN | 0 | -0.042 | -0.017 | 23.159 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 205 | THR | 0 | 0.012 | -0.022 | 25.706 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 206 | ILE | 0 | -0.013 | -0.012 | 29.469 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 207 | LEU | 0 | -0.011 | -0.007 | 32.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 208 | THR | 0 | 0.004 | 0.005 | 35.405 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 209 | GLU | -1 | -0.812 | -0.911 | 36.612 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 210 | GLU | -1 | -0.956 | -0.981 | 37.064 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 211 | ALA | 0 | -0.004 | -0.006 | 32.780 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 212 | HIS | 0 | 0.027 | 0.010 | 33.984 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 213 | ILE | 0 | -0.010 | -0.001 | 36.422 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 214 | SER | 0 | -0.012 | -0.005 | 35.872 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 215 | TYR | 0 | 0.039 | -0.005 | 29.856 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 216 | SER | 0 | -0.046 | -0.016 | 34.819 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 217 | LYS | 1 | 0.844 | 0.912 | 37.706 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 218 | ALA | 0 | -0.067 | -0.017 | 34.683 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 219 | GLY | 0 | 0.010 | 0.020 | 35.962 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 220 | MET | 0 | -0.096 | -0.048 | 29.586 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 221 | LEU | 0 | -0.049 | -0.030 | 32.159 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 222 | SER | 0 | -0.001 | 0.021 | 34.068 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 223 | THR | 0 | 0.063 | 0.017 | 35.739 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 224 | ASP | -1 | -0.872 | -0.925 | 37.902 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 225 | GLY | 0 | -0.010 | -0.005 | 35.631 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 226 | ARG | 1 | 0.883 | 0.933 | 33.338 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 227 | CYS | 0 | 0.000 | 0.039 | 27.576 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 228 | LYS | 1 | 0.883 | 0.961 | 29.833 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 229 | THR | 0 | 0.017 | -0.011 | 25.306 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 230 | PHE | 0 | -0.055 | -0.031 | 23.421 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 231 | SER | 0 | 0.037 | 0.032 | 29.481 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 232 | ALA | 0 | -0.043 | -0.029 | 33.137 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 233 | ASP | -1 | -0.906 | -0.957 | 35.978 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 234 | ALA | 0 | -0.110 | -0.038 | 31.953 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 235 | ASN | 0 | 0.014 | -0.014 | 33.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 236 | GLY | 0 | 0.013 | -0.001 | 31.979 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 237 | TYR | 0 | -0.037 | -0.034 | 28.707 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 238 | VAL | 0 | 0.016 | 0.000 | 30.290 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 239 | ARG | 1 | 0.822 | 0.879 | 29.374 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 240 | GLY | 0 | 0.048 | 0.030 | 28.357 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 241 | GLU | -1 | -0.766 | -0.851 | 27.437 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 242 | GLY | 0 | 0.032 | -0.011 | 25.030 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | B | 243 | VAL | 0 | -0.048 | -0.015 | 22.225 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | B | 244 | GLY | 0 | 0.007 | 0.011 | 19.248 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | B | 245 | MET | 0 | -0.067 | -0.025 | 17.240 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | B | 246 | VAL | 0 | 0.018 | -0.001 | 11.896 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | B | 247 | MET | 0 | -0.026 | -0.017 | 14.079 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | B | 248 | LEU | 0 | -0.031 | -0.022 | 8.071 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 249 | LYS | 1 | 0.901 | 0.939 | 10.081 | 0.277 | 0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | B | 250 | LYS | 1 | 0.967 | 0.997 | 8.008 | -0.363 | -0.363 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 251 | LEU | 0 | -0.023 | -0.014 | 7.335 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 252 | GLU | -1 | -0.898 | -0.949 | 9.258 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 253 | ASP | -1 | -0.837 | -0.930 | 11.901 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 254 | ALA | 0 | -0.082 | -0.034 | 12.225 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 255 | GLU | -1 | -0.846 | -0.916 | 13.012 | -0.478 | -0.478 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 256 | ARG | 1 | 0.864 | 0.943 | 14.904 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 257 | ASP | -1 | -0.882 | -0.950 | 17.252 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 258 | GLY | 0 | -0.010 | 0.011 | 18.257 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 259 | ASN | 0 | 0.013 | -0.006 | 15.714 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 260 | HIS | 0 | -0.119 | -0.056 | 17.116 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 261 | ILE | 0 | 0.013 | -0.002 | 11.544 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 262 | TYR | 0 | -0.107 | -0.073 | 13.910 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 263 | GLY | 0 | 0.001 | -0.005 | 11.473 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 264 | VAL | 0 | -0.008 | -0.005 | 5.284 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 265 | ILE | 0 | 0.006 | 0.003 | 3.078 | -0.283 | 0.146 | 0.031 | -0.072 | -0.388 | 0.000 |
263 | B | 266 | ARG | 1 | 0.886 | 0.928 | 2.499 | -0.643 | 1.019 | 0.588 | -0.741 | -1.509 | -0.005 |
264 | B | 267 | GLY | 0 | 0.048 | 0.025 | 2.675 | -0.180 | 0.764 | 2.622 | -0.991 | -2.574 | -0.002 |
265 | B | 268 | THR | 0 | -0.053 | -0.041 | 3.885 | -1.573 | -1.201 | 0.008 | 0.032 | -0.413 | 0.001 |
266 | B | 269 | ALA | 0 | -0.043 | -0.018 | 5.970 | 0.307 | 0.307 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 270 | GLU | -1 | -0.827 | -0.929 | 8.746 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 271 | ASN | 0 | -0.061 | -0.024 | 11.550 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 272 | HIS | 0 | 0.060 | 0.039 | 14.904 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 273 | GLY | 0 | 0.005 | 0.001 | 18.638 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 274 | GLY | 0 | 0.000 | 0.005 | 21.512 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 275 | ARG | 1 | 0.906 | 0.944 | 23.684 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 276 | ALA | 0 | 0.034 | 0.031 | 25.827 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 277 | ASN | 0 | -0.025 | -0.017 | 27.691 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 278 | THR | 0 | 0.002 | -0.028 | 30.249 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 279 | LEU | 0 | 0.006 | -0.008 | 27.578 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 280 | THR | 0 | 0.028 | 0.021 | 27.225 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 281 | SER | 0 | -0.052 | 0.005 | 28.027 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 282 | PRO | 0 | 0.046 | 0.036 | 24.110 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 283 | ASN | 0 | 0.017 | -0.016 | 22.847 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 284 | PRO | 0 | 0.061 | 0.036 | 22.182 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 285 | LYS | 1 | 0.889 | 0.940 | 21.118 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 286 | ALA | 0 | 0.014 | 0.013 | 19.506 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 287 | GLN | 0 | 0.015 | -0.002 | 17.856 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 288 | ALA | 0 | 0.009 | 0.011 | 17.352 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 289 | ASP | -1 | -0.826 | -0.924 | 16.538 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 290 | LEU | 0 | -0.106 | -0.029 | 12.338 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 291 | LEU | 0 | 0.016 | -0.001 | 12.319 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 292 | VAL | 0 | 0.014 | 0.016 | 12.563 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 293 | ARG | 1 | 0.890 | 0.921 | 8.823 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 294 | ALA | 0 | 0.019 | 0.010 | 8.112 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 295 | TYR | 0 | 0.032 | -0.002 | 7.497 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 296 | ARG | 1 | 0.906 | 0.956 | 8.726 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 297 | GLN | 0 | 0.004 | 0.015 | 3.220 | -2.394 | 0.108 | 0.396 | -0.739 | -2.159 | 0.004 |
295 | B | 298 | ALA | 0 | -0.009 | 0.003 | 3.885 | -0.883 | -0.418 | 0.004 | -0.111 | -0.359 | 0.000 |
296 | B | 299 | ASP | -1 | -0.952 | -0.963 | 5.383 | -1.628 | -1.538 | -0.001 | -0.001 | -0.087 | 0.000 |
297 | B | 300 | ILE | 0 | -0.071 | -0.022 | 7.555 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 301 | ASP | -1 | -0.801 | -0.865 | 9.943 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 302 | PRO | 0 | 0.051 | 0.039 | 13.716 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 303 | SER | 0 | -0.105 | -0.099 | 15.318 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 304 | THR | 0 | -0.053 | -0.063 | 13.536 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 305 | VAL | 0 | -0.027 | 0.002 | 12.484 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 306 | THR | 0 | 0.020 | 0.011 | 14.949 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | B | 307 | TYR | 0 | -0.014 | -0.013 | 16.449 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | B | 308 | ILE | 0 | -0.015 | -0.002 | 15.065 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | B | 309 | GLU | -1 | -0.775 | -0.886 | 16.077 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | B | 310 | ALA | 0 | -0.008 | -0.011 | 17.109 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | B | 311 | HIS | 0 | -0.027 | -0.017 | 19.186 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | B | 312 | GLY | 0 | 0.024 | -0.012 | 20.191 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | B | 313 | THR | 0 | -0.050 | -0.027 | 23.779 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | B | 314 | GLY | 0 | 0.065 | 0.046 | 26.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | B | 315 | THR | 0 | -0.017 | 0.006 | 28.486 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | B | 316 | GLU | -1 | -0.862 | -0.933 | 30.826 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | B | 317 | LEU | 0 | -0.022 | -0.022 | 31.441 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | B | 318 | GLY | 0 | -0.025 | -0.013 | 27.523 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | B | 319 | ASP | -1 | -0.766 | -0.908 | 26.146 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | B | 320 | PRO | 0 | 0.006 | -0.003 | 26.185 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | B | 321 | ILE | 0 | -0.027 | -0.007 | 24.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | B | 322 | GLU | -1 | -0.754 | -0.864 | 20.141 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | B | 323 | ILE | 0 | 0.013 | 0.014 | 21.948 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | B | 324 | ASN | 0 | -0.034 | -0.022 | 23.651 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | B | 325 | GLY | 0 | 0.016 | 0.015 | 21.311 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | B | 326 | LEU | 0 | 0.004 | -0.006 | 17.526 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | B | 327 | LYS | 1 | 0.864 | 0.929 | 20.046 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | B | 328 | ALA | 0 | -0.056 | -0.030 | 22.373 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | B | 329 | ALA | 0 | 0.039 | 0.029 | 16.788 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | B | 330 | PHE | 0 | 0.050 | 0.009 | 15.479 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | B | 331 | LYS | 1 | 0.941 | 1.000 | 18.622 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | B | 332 | GLU | -1 | -0.944 | -0.966 | 17.827 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | B | 333 | LEU | 0 | -0.078 | -0.043 | 13.226 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | B | 334 | SER | 0 | -0.034 | -0.033 | 16.618 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | B | 335 | ASN | 0 | -0.104 | -0.025 | 19.190 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | B | 336 | MET | 0 | -0.004 | 0.003 | 14.615 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | B | 347 | HIS | 0 | -0.025 | -0.012 | 18.350 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | B | 348 | ARG | 1 | 0.918 | 0.963 | 22.757 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | B | 349 | CYS | 0 | -0.012 | 0.001 | 18.788 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | B | 350 | GLY | 0 | 0.016 | 0.016 | 21.031 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | B | 351 | ILE | 0 | -0.002 | -0.003 | 20.478 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | B | 352 | GLY | 0 | 0.051 | 0.013 | 21.243 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | B | 353 | SER | 0 | -0.002 | -0.004 | 21.504 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | B | 354 | VAL | 0 | 0.015 | 0.001 | 20.823 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | B | 355 | LYS | 1 | 0.886 | 0.953 | 20.586 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | B | 356 | SER | 0 | -0.042 | 0.004 | 25.328 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | B | 357 | ASN | 0 | -0.033 | -0.018 | 26.341 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | B | 358 | ILE | 0 | 0.027 | 0.002 | 23.503 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | B | 359 | GLY | 0 | 0.056 | 0.033 | 27.590 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | B | 360 | HIS | 0 | -0.037 | -0.036 | 22.506 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | B | 361 | LEU | 0 | 0.007 | 0.009 | 23.026 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | B | 362 | GLU | -1 | -0.824 | -0.904 | 23.629 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | B | 363 | LEU | 0 | 0.060 | 0.051 | 21.376 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | B | 364 | ALA | 0 | -0.003 | -0.007 | 19.691 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | B | 365 | ALA | 0 | -0.027 | -0.010 | 20.159 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | B | 366 | GLY | 0 | 0.023 | 0.003 | 15.869 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | B | 367 | ILE | 0 | 0.002 | -0.004 | 14.096 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | B | 368 | SER | 0 | 0.047 | 0.012 | 16.153 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | B | 369 | GLY | 0 | 0.008 | 0.009 | 17.400 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | B | 370 | LEU | 0 | -0.006 | -0.005 | 11.163 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | B | 371 | ILE | 0 | 0.021 | 0.005 | 14.517 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | B | 372 | LYS | 1 | 0.911 | 0.975 | 17.034 | 0.151 | 0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | B | 373 | VAL | 0 | -0.014 | -0.007 | 13.876 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | B | 374 | LEU | 0 | 0.019 | 0.011 | 12.141 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | B | 375 | LEU | 0 | -0.031 | -0.007 | 16.004 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | B | 376 | GLN | 0 | 0.032 | 0.005 | 19.007 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | B | 377 | MET | 0 | -0.055 | -0.031 | 11.822 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | B | 378 | LYS | 1 | 0.908 | 0.981 | 17.813 | 0.211 | 0.211 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | B | 379 | HIS | 0 | -0.021 | -0.015 | 19.919 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | B | 380 | LYS | 1 | 0.931 | 0.992 | 20.847 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | B | 381 | THR | 0 | -0.025 | -0.022 | 22.029 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | B | 382 | LEU | 0 | -0.038 | -0.009 | 20.173 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | B | 383 | VAL | 0 | 0.012 | 0.000 | 23.711 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | B | 384 | LYS | 1 | 0.923 | 0.969 | 25.743 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | B | 385 | SER | 0 | 0.013 | 0.009 | 26.014 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | B | 386 | LEU | 0 | -0.029 | -0.032 | 27.618 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | B | 387 | HIS | 0 | -0.017 | -0.002 | 30.723 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | B | 388 | CYS | 0 | -0.044 | -0.005 | 30.440 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | B | 389 | GLU | -1 | -0.879 | -0.951 | 33.017 | -0.066 | -0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | B | 390 | THR | 0 | -0.047 | -0.019 | 35.933 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | B | 391 | LEU | 0 | -0.029 | -0.012 | 30.906 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | B | 392 | ASN | 0 | 0.064 | 0.041 | 31.831 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | B | 393 | PRO | 0 | 0.021 | -0.001 | 33.256 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | B | 394 | TYR | 0 | -0.048 | -0.034 | 33.364 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | B | 395 | LEU | 0 | -0.017 | -0.001 | 28.278 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | B | 396 | GLN | 0 | -0.048 | -0.022 | 29.279 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | B | 397 | LEU | 0 | 0.092 | 0.032 | 26.315 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | B | 398 | THR | 0 | -0.004 | 0.017 | 28.674 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | B | 399 | ASP | -1 | -0.945 | -0.958 | 29.530 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | B | 400 | SER | 0 | -0.103 | -0.070 | 24.771 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | B | 401 | PRO | 0 | 0.032 | 0.018 | 21.812 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | B | 402 | PHE | 0 | 0.014 | 0.008 | 19.073 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | B | 403 | TYR | 0 | -0.091 | -0.059 | 23.880 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | B | 404 | ILE | 0 | 0.041 | 0.025 | 24.901 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | B | 405 | VAL | 0 | -0.004 | -0.006 | 23.571 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | B | 406 | GLN | 0 | -0.024 | -0.021 | 26.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | B | 407 | GLU | -1 | -0.910 | -0.954 | 29.631 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | B | 408 | LYS | 1 | 0.913 | 0.973 | 28.314 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | B | 409 | GLN | 0 | -0.034 | 0.006 | 26.036 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | B | 410 | GLU | -1 | -0.902 | -0.961 | 25.124 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | B | 411 | TRP | 0 | -0.010 | -0.014 | 15.816 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | B | 412 | LYS | 1 | 0.958 | 0.972 | 21.825 | 0.126 | 0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | B | 413 | SER | 0 | 0.006 | 0.019 | 19.721 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | B | 414 | VAL | 0 | 0.023 | 0.014 | 18.449 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | B | 422 | LEU | 0 | 0.007 | -0.013 | 14.761 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | B | 423 | PRO | 0 | -0.048 | -0.009 | 12.433 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | B | 424 | ARG | 1 | 0.845 | 0.909 | 14.052 | 0.261 | 0.261 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | B | 425 | ARG | 1 | 0.980 | 0.985 | 10.312 | 0.567 | 0.567 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | B | 426 | ALA | 0 | -0.014 | -0.015 | 11.480 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | B | 427 | GLY | 0 | 0.050 | 0.038 | 11.119 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | B | 428 | ILE | 0 | -0.023 | -0.007 | 11.567 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | B | 429 | SER | 0 | 0.005 | 0.001 | 12.629 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | B | 430 | SER | 0 | -0.017 | 0.007 | 15.239 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | B | 431 | PHE | 0 | 0.001 | -0.016 | 16.531 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | B | 432 | GLY | 0 | 0.022 | 0.020 | 19.221 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | B | 433 | ILE | 0 | 0.011 | -0.009 | 21.270 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | B | 434 | GLY | 0 | 0.018 | 0.017 | 23.614 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | B | 435 | GLY | 0 | -0.008 | -0.007 | 22.001 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | B | 436 | VAL | 0 | -0.007 | 0.003 | 16.083 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | B | 437 | ASN | 0 | -0.034 | -0.020 | 16.109 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | B | 438 | ALA | 0 | 0.061 | 0.022 | 11.830 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | B | 439 | HIS | 0 | -0.021 | -0.023 | 10.439 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | B | 440 | ILE | 0 | 0.010 | 0.007 | 6.550 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | B | 441 | VAL | 0 | 0.018 | 0.012 | 6.471 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | B | 442 | ILE | 0 | -0.019 | -0.007 | 6.488 | -0.281 | -0.281 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | B | 443 | GLU | -1 | -0.938 | -0.988 | 7.874 | -0.985 | -0.985 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | B | 444 | GLU | -1 | -0.870 | -0.943 | 9.372 | -0.374 | -0.374 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | B | 445 | TYR | 0 | -0.043 | -0.036 | 11.406 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | B | 446 | MET | 0 | -0.016 | -0.009 | 12.996 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | B | 447 | PRO | 0 | -0.015 | 0.008 | 15.883 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | B | 457 | GLU | -1 | -0.963 | -0.990 | 35.883 | -0.079 | -0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | B | 458 | GLN | 0 | -0.046 | -0.034 | 37.746 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | B | 459 | PRO | 0 | 0.033 | 0.021 | 38.576 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | B | 460 | ASN | 0 | -0.030 | -0.015 | 33.934 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | B | 461 | VAL | 0 | -0.006 | -0.015 | 37.213 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | B | 462 | ILE | 0 | 0.011 | 0.011 | 34.546 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | B | 463 | VAL | 0 | -0.003 | -0.001 | 33.773 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | B | 464 | LEU | 0 | 0.045 | 0.015 | 33.476 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | B | 465 | SER | 0 | 0.013 | 0.006 | 33.861 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | B | 466 | ALA | 0 | 0.017 | 0.000 | 34.376 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | B | 467 | LYS | 1 | 0.987 | 0.996 | 33.341 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | B | 468 | ASN | 0 | 0.040 | 0.006 | 37.698 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | B | 469 | LYS | 1 | 1.013 | 0.982 | 40.383 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | B | 470 | SER | 0 | 0.014 | 0.012 | 41.385 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | B | 471 | ARG | 1 | 0.899 | 0.961 | 36.107 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | B | 472 | LEU | 0 | -0.007 | 0.006 | 37.117 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | B | 473 | ILE | 0 | 0.028 | 0.014 | 38.620 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | B | 474 | ASP | -1 | -0.835 | -0.912 | 36.481 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | B | 475 | ARG | 1 | 0.806 | 0.891 | 29.542 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | B | 476 | ALA | 0 | 0.008 | 0.015 | 35.025 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | B | 477 | SER | 0 | 0.024 | -0.002 | 37.609 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | B | 478 | GLN | 0 | -0.047 | -0.024 | 31.489 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | B | 479 | LEU | 0 | 0.008 | -0.003 | 31.698 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | B | 480 | LEU | 0 | -0.008 | 0.005 | 34.361 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | B | 481 | GLU | -1 | -0.976 | -1.002 | 34.691 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | B | 482 | VAL | 0 | 0.050 | 0.036 | 30.434 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | B | 483 | ILE | 0 | -0.042 | -0.025 | 33.431 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | B | 484 | ARG | 1 | 0.917 | 0.977 | 35.611 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | B | 485 | ASN | 0 | -0.020 | 0.005 | 34.124 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | B | 486 | LYS | 1 | 0.877 | 0.931 | 34.151 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | B | 487 | LYS | 1 | 0.938 | 0.989 | 26.388 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | B | 488 | TYR | 0 | -0.034 | -0.045 | 26.916 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | B | 489 | THR | 0 | -0.026 | -0.008 | 31.121 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | B | 490 | ASP | -1 | -0.834 | -0.940 | 33.064 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | B | 491 | GLN | 0 | -0.011 | -0.003 | 30.712 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | B | 492 | ASP | -1 | -0.867 | -0.939 | 28.384 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | B | 493 | LEU | 0 | 0.031 | 0.029 | 30.319 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | B | 494 | HIS | 0 | 0.050 | 0.014 | 31.376 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | B | 495 | ARG | 1 | 0.842 | 0.903 | 22.482 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | B | 496 | ILE | 0 | 0.009 | 0.005 | 27.899 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | B | 497 | ALA | 0 | -0.011 | -0.012 | 29.812 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | B | 498 | TYR | 0 | 0.013 | 0.008 | 24.733 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | B | 499 | THR | 0 | 0.021 | -0.003 | 24.956 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | B | 500 | LEU | 0 | -0.067 | -0.031 | 27.082 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | B | 501 | GLN | 0 | -0.045 | -0.007 | 30.064 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | B | 502 | VAL | 0 | -0.011 | -0.009 | 25.958 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | B | 503 | GLY | 0 | 0.031 | 0.028 | 24.837 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | B | 504 | ARG | 1 | 0.767 | 0.886 | 25.083 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | B | 505 | GLU | -1 | -0.887 | -0.954 | 28.177 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | B | 506 | GLU | -1 | -0.904 | -0.950 | 29.885 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | B | 507 | MET | 0 | -0.062 | -0.020 | 31.074 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | B | 508 | ASP | -1 | -0.811 | -0.900 | 35.542 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | B | 509 | GLU | -1 | -0.858 | -0.919 | 39.314 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | B | 510 | ARG | 1 | 0.869 | 0.946 | 37.036 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | B | 511 | LEU | 0 | 0.001 | 0.003 | 39.086 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | B | 512 | ALA | 0 | 0.007 | 0.008 | 38.858 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | B | 513 | CYS | 0 | 0.011 | 0.021 | 39.733 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | B | 514 | VAL | 0 | -0.019 | -0.015 | 40.110 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | B | 515 | ALA | 0 | 0.021 | 0.013 | 39.169 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | B | 516 | GLY | 0 | -0.007 | -0.015 | 39.255 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | B | 517 | THR | 0 | -0.023 | 0.007 | 39.101 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | B | 518 | MET | 0 | 0.050 | 0.008 | 34.217 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | B | 519 | GLN | 0 | 0.021 | 0.006 | 38.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | B | 520 | GLU | -1 | -0.833 | -0.896 | 42.241 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | B | 521 | LEU | 0 | -0.035 | -0.026 | 35.993 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | B | 522 | GLU | -1 | -0.957 | -0.995 | 39.898 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | B | 523 | GLU | -1 | -0.917 | -0.966 | 41.156 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | B | 524 | LYS | 1 | 0.891 | 0.952 | 42.884 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | B | 525 | LEU | 0 | -0.026 | -0.015 | 37.515 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | B | 526 | GLN | 0 | -0.012 | -0.007 | 42.217 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | B | 527 | ALA | 0 | 0.046 | 0.037 | 44.717 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | B | 528 | PHE | 0 | -0.069 | -0.036 | 41.326 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | B | 529 | VAL | 0 | -0.090 | -0.052 | 42.046 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | B | 530 | ASP | -1 | -0.913 | -0.946 | 44.900 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | B | 531 | GLY | 0 | -0.017 | 0.020 | 48.053 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | B | 532 | LYS | 1 | 0.692 | 0.818 | 49.902 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | B | 533 | GLU | -1 | -0.817 | -0.914 | 49.687 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | B | 534 | GLU | -1 | -0.909 | -0.931 | 52.114 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | B | 535 | THR | 0 | -0.086 | -0.077 | 48.571 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | B | 536 | ASP | -1 | -0.896 | -0.936 | 48.793 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | B | 537 | GLU | -1 | -0.918 | -0.960 | 48.379 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | B | 538 | PHE | 0 | -0.038 | -0.028 | 44.150 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | B | 539 | PHE | 0 | 0.035 | 0.022 | 43.771 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | B | 540 | ARG | 1 | 0.860 | 0.901 | 42.873 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | B | 541 | GLY | 0 | -0.024 | -0.001 | 44.055 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | B | 542 | GLN | 0 | -0.017 | -0.007 | 43.248 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | B | 543 | SER | 0 | 0.047 | 0.032 | 39.745 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | B | 544 | HIS | 0 | -0.072 | -0.059 | 42.385 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | B | 545 | ARG | 1 | 0.900 | 0.942 | 44.323 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | B | 546 | ASN | 0 | -0.037 | -0.008 | 45.740 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | B | 547 | LYS | 1 | 1.000 | 0.999 | 44.469 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | B | 548 | GLU | -1 | -0.917 | -0.942 | 46.921 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | B | 549 | THR | 0 | 0.020 | -0.006 | 46.859 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | B | 550 | GLN | 0 | -0.050 | -0.037 | 42.672 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | B | 551 | THR | 0 | 0.006 | 0.003 | 44.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | B | 552 | ILE | 0 | 0.006 | 0.019 | 46.026 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | B | 553 | PHE | 0 | -0.028 | -0.026 | 44.216 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | B | 554 | THR | 0 | -0.065 | -0.027 | 40.978 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | B | 555 | ALA | 0 | -0.048 | -0.044 | 43.297 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | B | 556 | ASP | -1 | -0.866 | -0.922 | 45.746 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | B | 557 | GLU | -1 | -0.917 | -0.970 | 46.299 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | B | 558 | ASP | -1 | -0.907 | -0.942 | 47.376 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | B | 559 | MET | 0 | -0.089 | -0.053 | 48.337 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | B | 560 | ALA | 0 | 0.023 | 0.019 | 43.374 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | B | 561 | LEU | 0 | 0.009 | 0.010 | 43.946 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | B | 562 | ALA | 0 | -0.025 | -0.015 | 45.939 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | B | 563 | LEU | 0 | -0.017 | -0.015 | 41.152 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | B | 564 | ASP | -1 | -0.836 | -0.920 | 40.963 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | B | 565 | ALA | 0 | -0.008 | -0.009 | 42.323 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | B | 566 | TRP | 0 | -0.067 | -0.046 | 44.341 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | B | 567 | ILE | 0 | 0.046 | 0.042 | 37.857 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | B | 568 | ARG | 1 | 0.905 | 0.952 | 40.031 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | B | 569 | LYS | 1 | 0.862 | 0.932 | 41.372 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | B | 570 | ARG | 1 | 0.926 | 0.985 | 37.416 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | B | 571 | LYS | 1 | 0.917 | 0.966 | 42.356 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | B | 572 | TYR | 0 | 0.091 | 0.023 | 38.649 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | B | 573 | ALA | 0 | 0.040 | 0.023 | 42.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | B | 574 | LYS | 1 | 0.890 | 0.952 | 45.746 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | B | 575 | LEU | 0 | 0.035 | 0.015 | 39.636 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | B | 576 | ALA | 0 | 0.024 | 0.024 | 41.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | B | 577 | ASP | -1 | -0.854 | -0.926 | 42.271 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | B | 578 | LEU | 0 | -0.021 | -0.023 | 43.270 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | B | 579 | TRP | 0 | -0.007 | 0.002 | 34.890 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | B | 580 | VAL | 0 | -0.025 | -0.012 | 40.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | B | 581 | LYS | 1 | 0.842 | 0.930 | 42.072 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | B | 582 | GLY | 0 | 0.009 | -0.008 | 40.055 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | B | 583 | VAL | 0 | -0.054 | -0.012 | 40.487 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | B | 584 | SER | 0 | 0.014 | 0.012 | 36.146 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | B | 585 | ILE | 0 | 0.026 | 0.009 | 36.677 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | B | 586 | GLN | 0 | 0.020 | 0.013 | 32.275 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | B | 587 | TRP | 0 | 0.087 | 0.014 | 31.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | B | 588 | ASN | 0 | 0.051 | 0.016 | 28.066 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | B | 589 | THR | 0 | -0.027 | -0.006 | 31.735 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | B | 590 | LEU | 0 | -0.073 | -0.038 | 34.544 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | B | 591 | TYR | 0 | -0.056 | -0.028 | 31.009 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | B | 592 | GLY | 0 | -0.008 | 0.001 | 32.201 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | B | 593 | GLU | -1 | -0.939 | -0.974 | 26.444 | -0.068 | -0.068 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | B | 594 | THR | 0 | -0.007 | -0.011 | 24.837 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | B | 595 | LYS | 1 | 0.908 | 0.977 | 25.264 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | B | 596 | PRO | 0 | -0.009 | -0.001 | 25.338 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | B | 597 | ARG | 1 | 0.915 | 0.962 | 17.775 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | B | 598 | LEU | 0 | 0.078 | 0.055 | 20.125 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | B | 599 | ILE | 0 | -0.061 | -0.026 | 22.147 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | B | 600 | SER | 0 | -0.022 | 0.010 | 21.674 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | B | 601 | LEU | 0 | 0.029 | 0.020 | 23.350 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | B | 602 | PRO | 0 | 0.046 | 0.018 | 25.972 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | B | 603 | SER | 0 | -0.011 | 0.005 | 25.295 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | B | 604 | TYR | 0 | 0.014 | -0.008 | 27.316 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | B | 605 | PRO | 0 | -0.024 | 0.004 | 29.984 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | B | 606 | PHE | 0 | -0.036 | -0.037 | 27.958 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | B | 607 | ALA | 0 | -0.044 | -0.016 | 33.340 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | B | 608 | LYS | 1 | 0.945 | 0.977 | 34.606 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | B | 609 | ASP | -1 | -0.896 | -0.941 | 37.210 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | B | 610 | HIS | 0 | -0.015 | -0.013 | 37.884 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | B | 611 | TYR | 0 | 0.010 | 0.007 | 37.387 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | B | 612 | TRP | 0 | 0.021 | -0.002 | 35.503 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | B | 613 | VAL | 0 | -0.007 | 0.013 | 40.015 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | B | 614 | PRO | 0 | -0.002 | 0.004 | 42.141 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |