![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 1675Z
Calculation Name: 4U9Q-B-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 4U9Q
Chain ID: B
UniProt ID: Q9KPS1
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 | 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 | 303 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4255565.108221 |
---|---|
FMO2-HF: Nuclear repulsion | 4141841.149053 |
FMO2-HF: Total energy | -113723.959168 |
FMO2-MP2: Total energy | -114059.331646 |
3D Structure
Ligand structure
![ligand structure](./data_download/1675Z/ligand_interaction/1675Z_ligand.png)
Ligand Interaction
![ligand interaction](./data_download/1675Z/ligand_interaction/1675Z_ligand_interaction.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(B:15:GLY)
Summations of interaction energy for
fragment #1(B:15:GLY)
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. |
-2.066 | 1.81 | 2.792 | -1.931 | -4.736 | 0.001 |
Interaction energy analysis for fragmet #1(B:15:GLY)
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 | 17 | PRO | 0 | 0.013 | 0.021 | 3.801 | -0.886 | 0.030 | -0.007 | -0.382 | -0.527 | 0.002 |
4 | B | 18 | SER | 0 | -0.026 | -0.014 | 6.365 | 0.640 | 0.640 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | B | 19 | GLN | 0 | 0.047 | 0.027 | 9.319 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | B | 20 | VAL | 0 | 0.002 | -0.019 | 12.255 | 0.134 | 0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | B | 21 | ILE | 0 | -0.024 | 0.002 | 13.417 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | B | 22 | SER | 0 | -0.048 | -0.009 | 14.251 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | B | 23 | ASP | -1 | -0.842 | -0.937 | 16.623 | -0.335 | -0.335 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | B | 24 | GLY | 0 | -0.021 | -0.006 | 15.923 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | B | 25 | LYS | 1 | 0.874 | 0.956 | 15.219 | 0.483 | 0.483 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | B | 26 | ALA | 0 | 0.020 | 0.008 | 18.322 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | B | 27 | ILE | 0 | -0.049 | -0.013 | 18.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | B | 28 | LYS | 1 | 0.980 | 0.972 | 22.591 | 0.187 | 0.187 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | B | 29 | LYS | 1 | 0.915 | 0.976 | 23.511 | 0.179 | 0.179 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | B | 30 | VAL | 0 | -0.003 | 0.002 | 23.490 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | B | 31 | ALA | 0 | -0.013 | -0.012 | 24.020 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | B | 32 | LEU | 0 | -0.002 | 0.030 | 24.247 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | B | 33 | LEU | 0 | 0.034 | 0.006 | 21.501 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | B | 34 | GLY | 0 | 0.003 | -0.002 | 25.538 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | B | 35 | GLU | -1 | -0.882 | -0.953 | 25.711 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | B | 36 | GLU | -1 | -0.871 | -0.916 | 21.754 | -0.117 | -0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | B | 37 | TYR | 0 | 0.001 | 0.011 | 24.732 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | B | 38 | VAL | 0 | 0.032 | 0.001 | 27.249 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | B | 39 | GLY | 0 | -0.078 | -0.042 | 29.476 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | B | 40 | MET | 0 | 0.009 | 0.057 | 30.855 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | B | 41 | ARG | 1 | 0.795 | 0.876 | 32.970 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | B | 42 | PRO | 0 | 0.066 | 0.040 | 33.963 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | B | 43 | THR | 0 | -0.046 | -0.026 | 36.147 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | B | 44 | MET | 0 | -0.074 | -0.037 | 34.380 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | B | 45 | HIS | 0 | -0.030 | -0.027 | 37.916 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | B | 46 | VAL | 0 | 0.012 | 0.032 | 35.366 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | B | 47 | ARG | 1 | 0.891 | 0.931 | 38.539 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | B | 48 | VAL | 0 | -0.004 | -0.021 | 35.962 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | B | 49 | GLY | 0 | -0.028 | -0.009 | 37.276 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | B | 50 | ASP | -1 | -0.845 | -0.908 | 38.575 | -0.060 | -0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | B | 51 | GLU | -1 | -0.926 | -0.970 | 37.340 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | B | 52 | VAL | 0 | -0.078 | -0.045 | 33.659 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | B | 53 | LYS | 1 | 1.009 | 1.015 | 35.663 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | B | 54 | LYS | 1 | 0.931 | 0.971 | 30.134 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | B | 55 | ALA | 0 | -0.011 | -0.022 | 32.441 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | B | 56 | GLN | 0 | 0.050 | 0.047 | 33.961 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | B | 57 | ILE | 0 | -0.014 | -0.015 | 34.765 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | B | 58 | LEU | 0 | 0.012 | 0.008 | 30.943 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | B | 59 | PHE | 0 | -0.014 | -0.032 | 30.168 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | B | 60 | GLU | -1 | -0.811 | -0.890 | 35.394 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | B | 61 | ASP | -1 | -0.778 | -0.917 | 34.915 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | B | 62 | LYS | 1 | 0.881 | 0.939 | 36.906 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | B | 63 | LYS | 1 | 0.866 | 0.921 | 37.310 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | B | 64 | ASN | 0 | -0.009 | 0.013 | 34.700 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | B | 65 | PRO | 0 | 0.048 | 0.016 | 38.334 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | B | 66 | GLY | 0 | 0.069 | 0.035 | 40.502 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | B | 67 | VAL | 0 | -0.018 | -0.008 | 33.691 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | B | 68 | LYS | 1 | 0.919 | 0.965 | 35.758 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | B | 69 | PHE | 0 | -0.030 | -0.020 | 29.647 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | B | 70 | THR | 0 | 0.005 | -0.014 | 31.584 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | B | 71 | SER | 0 | 0.011 | -0.007 | 30.226 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | B | 72 | PRO | 0 | 0.001 | -0.005 | 25.880 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | B | 73 | VAL | 0 | -0.020 | -0.021 | 26.983 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | B | 74 | SER | 0 | 0.032 | 0.042 | 29.873 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | B | 75 | GLY | 0 | 0.048 | 0.020 | 31.957 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | B | 76 | LYS | 1 | 0.935 | 0.989 | 33.363 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | B | 77 | VAL | 0 | -0.032 | -0.005 | 32.883 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | B | 78 | VAL | 0 | 0.019 | 0.008 | 30.361 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | B | 79 | GLU | -1 | -0.915 | -0.963 | 28.664 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | B | 80 | ILE | 0 | -0.041 | -0.017 | 31.596 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | B | 81 | ASN | 0 | -0.034 | -0.007 | 27.800 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | B | 82 | ARG | 1 | 0.882 | 0.922 | 30.963 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | B | 83 | GLY | 0 | 0.049 | 0.042 | 30.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | B | 84 | ALA | 0 | 0.043 | 0.012 | 31.790 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | B | 85 | LYS | 1 | 0.956 | 0.960 | 34.040 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | B | 86 | ARG | 1 | 0.963 | 0.987 | 35.765 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | B | 87 | VAL | 0 | 0.006 | 0.027 | 30.658 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | B | 88 | LEU | 0 | -0.002 | -0.009 | 30.444 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | B | 89 | GLN | 0 | -0.004 | -0.011 | 27.001 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | B | 90 | SER | 0 | -0.005 | -0.009 | 25.684 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | B | 91 | VAL | 0 | -0.018 | -0.001 | 27.731 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | B | 92 | VAL | 0 | -0.015 | -0.005 | 26.514 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | B | 93 | ILE | 0 | 0.009 | -0.005 | 28.105 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | B | 94 | GLU | -1 | -0.964 | -0.988 | 28.253 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | B | 95 | VAL | 0 | -0.027 | -0.023 | 26.821 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | B | 96 | ALA | 0 | -0.005 | -0.017 | 30.008 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | B | 97 | GLY | 0 | 0.016 | 0.020 | 33.357 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | B | 98 | ASP | -1 | -0.942 | -0.979 | 33.281 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | B | 99 | ASP | -1 | -0.877 | -0.920 | 34.703 | -0.082 | -0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | B | 100 | GLN | 0 | -0.023 | -0.049 | 34.866 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | B | 101 | VAL | 0 | -0.057 | -0.023 | 36.709 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | B | 102 | THR | 0 | -0.039 | -0.012 | 37.058 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | B | 103 | PHE | 0 | -0.051 | -0.045 | 35.769 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | B | 104 | ASP | -1 | -0.897 | -0.935 | 40.119 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | B | 105 | LYS | 1 | 0.921 | 0.969 | 39.666 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | B | 106 | PHE | 0 | -0.045 | -0.031 | 39.839 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | B | 107 | GLU | -1 | -0.890 | -0.942 | 40.004 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | B | 108 | ALA | 0 | 0.061 | 0.011 | 37.833 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | B | 109 | ASN | 0 | -0.076 | -0.041 | 39.226 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | B | 110 | GLN | 0 | 0.052 | 0.016 | 42.094 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | B | 111 | LEU | 0 | -0.016 | 0.001 | 36.322 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | B | 112 | ALA | 0 | 0.010 | 0.008 | 39.851 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | B | 113 | SER | 0 | -0.033 | -0.009 | 40.770 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | B | 114 | LEU | 0 | -0.043 | 0.000 | 39.902 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | B | 115 | ASN | 0 | 0.012 | -0.005 | 43.439 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | B | 116 | ARG | 1 | 0.991 | 1.000 | 41.156 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | B | 117 | ASP | -1 | -0.885 | -0.958 | 41.624 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | B | 118 | ALA | 0 | -0.032 | -0.013 | 43.152 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | B | 119 | ILE | 0 | 0.006 | 0.010 | 37.378 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | B | 120 | LYS | 1 | 0.867 | 0.942 | 38.209 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | B | 121 | THR | 0 | 0.003 | 0.005 | 38.612 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | B | 122 | GLN | 0 | 0.039 | 0.018 | 37.324 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | B | 123 | LEU | 0 | -0.015 | -0.010 | 32.892 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | B | 124 | VAL | 0 | -0.047 | -0.031 | 34.606 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | B | 125 | GLU | -1 | -0.929 | -0.965 | 36.158 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | B | 126 | SER | 0 | 0.015 | 0.021 | 33.920 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | B | 127 | GLY | 0 | -0.002 | 0.022 | 32.381 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | B | 128 | LEU | 0 | -0.036 | -0.014 | 28.005 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | B | 129 | TRP | 0 | 0.016 | 0.004 | 30.301 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | B | 130 | THR | 0 | -0.058 | -0.031 | 28.800 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | B | 131 | ALA | 0 | -0.013 | 0.004 | 26.389 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | B | 132 | PHE | 0 | -0.011 | 0.005 | 26.650 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | B | 133 | ARG | 1 | 0.918 | 0.958 | 21.606 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | B | 134 | THR | 0 | 0.003 | -0.008 | 28.861 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | B | 135 | ARG | 1 | 0.929 | 0.977 | 24.946 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | B | 136 | PRO | 0 | 0.072 | 0.036 | 30.443 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | B | 137 | PHE | 0 | 0.010 | -0.015 | 31.019 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | B | 138 | SER | 0 | -0.043 | -0.030 | 26.277 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | B | 139 | LYS | 1 | 0.923 | 0.975 | 28.282 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | B | 140 | VAL | 0 | 0.052 | 0.050 | 29.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | B | 141 | PRO | 0 | 0.000 | 0.014 | 31.806 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | B | 142 | ALA | 0 | 0.079 | 0.044 | 34.876 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | B | 143 | ILE | 0 | 0.029 | 0.027 | 37.874 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | B | 144 | ASP | -1 | -0.901 | -0.951 | 39.671 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | B | 145 | SER | 0 | -0.065 | -0.030 | 38.695 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | B | 146 | THR | 0 | -0.027 | -0.045 | 39.475 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | B | 147 | SER | 0 | 0.035 | 0.014 | 34.892 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | B | 148 | GLU | -1 | -0.863 | -0.907 | 38.011 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | B | 149 | ALA | 0 | -0.012 | -0.017 | 34.001 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | B | 150 | ILE | 0 | 0.020 | 0.017 | 30.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | B | 151 | PHE | 0 | -0.049 | -0.042 | 27.566 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | B | 152 | VAL | 0 | 0.062 | 0.018 | 25.360 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | B | 153 | THR | 0 | -0.054 | -0.026 | 21.254 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | B | 154 | ALA | 0 | 0.030 | 0.008 | 21.396 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | B | 155 | MET | 0 | -0.060 | -0.024 | 18.658 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | B | 156 | ASP | -1 | -0.846 | -0.942 | 13.943 | -0.175 | -0.175 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | B | 157 | THR | 0 | -0.025 | -0.019 | 14.990 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | B | 158 | ASN | 0 | -0.033 | -0.007 | 10.316 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | B | 159 | PRO | 0 | 0.052 | 0.021 | 7.843 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | B | 160 | LEU | 0 | -0.005 | -0.014 | 3.047 | -0.860 | -0.165 | 0.101 | -0.319 | -0.477 | 0.001 |
147 | B | 161 | ALA | 0 | 0.018 | 0.091 | 6.523 | -0.269 | -0.269 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | B | 162 | ALA | 0 | 0.034 | 0.005 | 10.140 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | B | 163 | GLU | -1 | -0.942 | -0.977 | 12.359 | -0.212 | -0.212 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | B | 164 | PRO | 0 | -0.018 | -0.012 | 15.004 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | B | 165 | THR | 0 | 0.028 | 0.015 | 18.205 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | B | 166 | VAL | 0 | 0.031 | 0.031 | 15.787 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | B | 167 | VAL | 0 | -0.002 | 0.004 | 16.981 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | B | 168 | ILE | 0 | -0.020 | -0.026 | 19.632 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | B | 169 | ASN | 0 | -0.080 | -0.063 | 21.893 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | B | 170 | GLU | -1 | -0.805 | -0.861 | 20.948 | -0.287 | -0.287 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | B | 171 | GLN | 0 | -0.011 | 0.001 | 24.472 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | B | 172 | SER | 0 | 0.011 | -0.001 | 26.466 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | B | 173 | GLU | -1 | -0.893 | -0.943 | 28.505 | -0.093 | -0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | B | 174 | ALA | 0 | 0.028 | 0.019 | 28.400 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | B | 175 | PHE | 0 | -0.007 | -0.013 | 25.470 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | B | 176 | VAL | 0 | -0.008 | -0.015 | 28.499 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | B | 177 | ALA | 0 | 0.074 | 0.042 | 31.744 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | B | 178 | GLY | 0 | 0.040 | 0.010 | 30.685 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | B | 179 | LEU | 0 | -0.079 | -0.046 | 28.970 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | B | 180 | ASP | -1 | -0.837 | -0.906 | 32.389 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | B | 181 | VAL | 0 | 0.012 | 0.033 | 34.385 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | B | 182 | LEU | 0 | -0.057 | -0.044 | 30.012 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | B | 183 | SER | 0 | -0.082 | -0.053 | 34.727 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | B | 184 | ALA | 0 | 0.085 | 0.054 | 37.305 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | B | 185 | LEU | 0 | -0.065 | -0.022 | 34.602 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | B | 186 | THR | 0 | -0.054 | -0.026 | 36.298 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | B | 187 | THR | 0 | -0.047 | -0.040 | 38.203 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | B | 188 | GLY | 0 | 0.016 | 0.011 | 39.489 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | B | 189 | LYS | 1 | 0.850 | 0.922 | 36.554 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | B | 190 | VAL | 0 | 0.004 | 0.009 | 31.383 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | B | 191 | TYR | 0 | -0.023 | -0.013 | 30.554 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | B | 192 | VAL | 0 | 0.048 | 0.024 | 26.393 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | B | 193 | CYS | 0 | -0.072 | -0.034 | 24.419 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | B | 194 | LYS | 1 | 0.900 | 0.943 | 22.713 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | B | 195 | LYS | 1 | 1.019 | 1.014 | 15.991 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | B | 196 | GLY | 0 | 0.038 | 0.009 | 22.350 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | B | 197 | THR | 0 | 0.005 | 0.009 | 20.238 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | B | 198 | SER | 0 | -0.004 | 0.016 | 23.319 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | B | 199 | LEU | 0 | 0.015 | -0.006 | 22.835 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | B | 200 | PRO | 0 | 0.020 | 0.019 | 26.631 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | B | 201 | ARG | 1 | 0.906 | 0.955 | 29.600 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | B | 202 | SER | 0 | 0.000 | -0.008 | 32.318 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | B | 203 | GLN | 0 | -0.019 | -0.020 | 34.605 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | B | 204 | GLN | 0 | 0.027 | 0.022 | 37.530 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | B | 205 | PRO | 0 | 0.024 | 0.010 | 38.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | B | 206 | ASN | 0 | -0.062 | -0.026 | 38.923 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | B | 207 | VAL | 0 | 0.051 | 0.032 | 32.927 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | B | 208 | GLU | -1 | -0.862 | -0.931 | 33.907 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | B | 209 | GLU | -1 | -0.901 | -0.956 | 29.405 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | B | 210 | HIS | 1 | 0.794 | 0.897 | 28.684 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | B | 211 | VAL | 0 | 0.036 | 0.016 | 25.487 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | B | 212 | PHE | 0 | -0.024 | -0.019 | 22.932 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | B | 213 | ASP | -1 | -0.845 | -0.913 | 22.219 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | B | 214 | GLY | 0 | 0.030 | 0.047 | 19.149 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | B | 215 | PRO | 0 | -0.110 | -0.073 | 14.211 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | B | 216 | HIS | 0 | 0.001 | -0.035 | 16.298 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | B | 217 | PRO | 0 | -0.034 | -0.003 | 15.391 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | B | 218 | ALA | 0 | 0.017 | 0.009 | 17.137 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | B | 232 | SER | 0 | -0.022 | -0.016 | 34.217 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | B | 233 | ALA | 0 | -0.061 | -0.068 | 35.494 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | B | 234 | ASP | -1 | -0.907 | -0.939 | 38.103 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | B | 235 | HIS | 0 | 0.035 | 0.036 | 38.848 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | B | 236 | VAL | 0 | -0.057 | -0.026 | 34.648 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | B | 237 | ALA | 0 | 0.043 | 0.038 | 32.375 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | B | 238 | TRP | 0 | -0.021 | -0.022 | 31.255 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | B | 239 | SER | 0 | -0.087 | -0.032 | 25.918 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | B | 240 | ILE | 0 | 0.060 | 0.026 | 25.654 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | B | 241 | ASN | 0 | 0.005 | 0.013 | 20.655 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | B | 242 | TYR | 0 | 0.109 | 0.017 | 16.363 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | B | 243 | GLN | 0 | 0.026 | -0.007 | 16.988 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | B | 244 | ASP | -1 | -0.754 | -0.864 | 22.350 | -0.147 | -0.147 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | B | 245 | VAL | 0 | -0.020 | 0.005 | 25.160 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | B | 246 | ILE | 0 | 0.001 | 0.004 | 23.022 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | B | 247 | ALA | 0 | -0.001 | 0.004 | 26.287 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | B | 248 | VAL | 0 | 0.000 | -0.011 | 27.983 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | B | 249 | GLY | 0 | 0.035 | 0.015 | 30.216 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | B | 250 | GLN | 0 | -0.013 | -0.020 | 28.745 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | B | 251 | LEU | 0 | -0.094 | -0.003 | 31.751 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | B | 252 | PHE | 0 | 0.008 | 0.004 | 33.658 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | B | 253 | LEU | 0 | 0.021 | 0.018 | 33.875 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | B | 254 | THR | 0 | -0.064 | -0.052 | 34.173 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | B | 255 | GLY | 0 | 0.063 | 0.034 | 36.645 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | B | 256 | GLU | -1 | -0.931 | -0.966 | 33.887 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | B | 257 | LEU | 0 | 0.012 | 0.010 | 29.713 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | B | 258 | TYR | 0 | 0.005 | -0.006 | 24.818 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | B | 259 | THR | 0 | -0.014 | -0.013 | 25.745 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | B | 260 | GLN | 0 | 0.039 | 0.018 | 22.893 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | B | 261 | ARG | 1 | 0.820 | 0.894 | 18.595 | 0.218 | 0.218 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | B | 262 | VAL | 0 | 0.018 | 0.023 | 15.308 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | B | 263 | VAL | 0 | -0.008 | 0.013 | 12.737 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | B | 264 | SER | 0 | -0.088 | -0.095 | 7.888 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | B | 265 | LEU | 0 | 0.017 | 0.014 | 8.535 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | B | 266 | ALA | 0 | 0.041 | 0.008 | 3.541 | -0.612 | -0.407 | 0.001 | -0.080 | -0.126 | 0.000 |
240 | B | 267 | GLY | 0 | 0.052 | 0.011 | 2.380 | 1.111 | 1.873 | 0.410 | -0.413 | -0.759 | 0.000 |
241 | B | 268 | PRO | 0 | -0.060 | -0.042 | 2.229 | -2.432 | -1.137 | 1.916 | -1.114 | -2.097 | -0.003 |
242 | B | 269 | VAL | 0 | 0.014 | 0.012 | 2.979 | 1.191 | 0.701 | 0.051 | 0.645 | -0.205 | 0.000 |
243 | B | 270 | VAL | 0 | -0.007 | 0.020 | 4.614 | 0.231 | 0.272 | -0.001 | -0.005 | -0.035 | 0.000 |
244 | B | 271 | ASN | 0 | 0.009 | -0.011 | 5.122 | -0.228 | -0.120 | -0.001 | -0.002 | -0.104 | 0.000 |
245 | B | 272 | LYS | 1 | 0.908 | 0.957 | 6.917 | 0.637 | 0.637 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | B | 273 | PRO | 0 | 0.056 | 0.047 | 2.625 | -0.049 | 0.295 | 0.322 | -0.261 | -0.406 | 0.001 |
247 | B | 274 | ARG | 1 | 0.757 | 0.846 | 5.645 | 1.105 | 1.105 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | B | 275 | LEU | 0 | 0.009 | 0.023 | 8.837 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | B | 276 | VAL | 0 | -0.016 | -0.005 | 11.984 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | B | 277 | ARG | 1 | 0.821 | 0.883 | 14.468 | 0.346 | 0.346 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | B | 278 | THR | 0 | 0.004 | -0.009 | 16.792 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | B | 279 | VAL | 0 | 0.018 | 0.022 | 19.194 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | B | 280 | MET | 0 | -0.001 | -0.012 | 20.594 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | B | 281 | GLY | 0 | 0.046 | 0.031 | 21.245 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | B | 282 | ALA | 0 | 0.004 | 0.008 | 18.748 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | B | 283 | SER | 0 | 0.014 | -0.003 | 19.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | B | 284 | LEU | 0 | -0.003 | -0.012 | 14.521 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | B | 285 | GLU | -1 | -0.897 | -0.957 | 15.457 | -0.286 | -0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | B | 286 | GLN | 0 | 0.002 | -0.002 | 17.454 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | B | 287 | LEU | 0 | -0.012 | 0.007 | 13.898 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | B | 288 | VAL | 0 | -0.013 | -0.013 | 11.511 | -0.065 | -0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | B | 289 | ASP | -1 | -0.867 | -0.932 | 13.682 | -0.300 | -0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | B | 290 | SER | 0 | -0.041 | -0.027 | 15.266 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | B | 291 | GLU | -1 | -0.813 | -0.884 | 10.550 | -0.790 | -0.790 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | B | 292 | ILE | 0 | -0.057 | -0.010 | 9.181 | -0.206 | -0.206 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | B | 293 | MET | 0 | -0.034 | -0.010 | 8.427 | 0.117 | 0.117 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | B | 294 | PRO | 0 | -0.001 | 0.000 | 11.441 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | B | 295 | GLY | 0 | 0.022 | 0.004 | 13.753 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | B | 296 | GLU | -1 | -0.953 | -0.953 | 14.446 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | B | 297 | VAL | 0 | 0.006 | -0.015 | 10.643 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | B | 298 | ARG | 1 | 0.912 | 0.956 | 11.475 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | B | 299 | ILE | 0 | 0.038 | 0.024 | 10.958 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | B | 300 | ILE | 0 | -0.058 | -0.034 | 10.120 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | B | 301 | SER | 0 | 0.017 | -0.004 | 11.486 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | B | 302 | GLY | 0 | 0.051 | 0.022 | 12.861 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | B | 303 | SER | 0 | 0.014 | 0.038 | 9.871 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | B | 304 | VAL | 0 | 0.052 | 0.013 | 7.059 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | B | 305 | LEU | 0 | -0.016 | -0.016 | 10.144 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | B | 306 | SER | 0 | -0.062 | -0.053 | 13.122 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | B | 307 | GLY | 0 | -0.014 | 0.014 | 13.472 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | B | 308 | THR | 0 | -0.030 | -0.026 | 14.544 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | B | 309 | LYS | 1 | 0.923 | 0.951 | 15.624 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | B | 310 | ALA | 0 | 0.015 | 0.021 | 15.189 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | B | 311 | THR | 0 | 0.045 | 0.004 | 17.020 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | B | 312 | GLY | 0 | 0.015 | 0.007 | 19.591 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | B | 313 | PRO | 0 | 0.015 | 0.015 | 22.790 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | B | 314 | HIS | 1 | 0.833 | 0.889 | 21.017 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | B | 315 | ALA | 0 | -0.021 | 0.022 | 18.536 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | B | 316 | TYR | 0 | 0.026 | -0.011 | 19.403 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | B | 317 | LEU | 0 | -0.036 | -0.001 | 15.281 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | B | 318 | GLY | 0 | 0.059 | 0.033 | 17.716 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | B | 319 | ARG | 1 | 0.820 | 0.906 | 19.491 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | B | 320 | TYR | 0 | -0.085 | -0.074 | 20.478 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | B | 321 | HIS | 0 | -0.005 | 0.030 | 15.141 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | B | 322 | LEU | 0 | 0.026 | 0.014 | 15.140 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | B | 323 | GLN | 0 | -0.003 | -0.015 | 7.593 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | B | 324 | VAL | 0 | 0.019 | 0.020 | 9.831 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | B | 325 | SER | 0 | -0.017 | -0.003 | 6.779 | -0.315 | -0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | B | 326 | VAL | 0 | 0.022 | 0.018 | 6.365 | 0.286 | 0.286 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | B | 327 | LEU | 0 | -0.032 | -0.020 | 6.236 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | B | 328 | ARG | 1 | 1.019 | 1.003 | 8.076 | -0.351 | -0.351 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | B | 329 | GLU | -1 | -0.965 | -0.984 | 9.797 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | B | 330 | GLY | 0 | 0.017 | 0.018 | 13.378 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |