![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: 94742
Calculation Name: 1VQR-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1VQR
Chain ID: A
UniProt ID: Q0PBQ7
Base Structure: X-ray
Registration Date: 2023-06-22
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 | 286 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4096246.425124 |
---|---|
FMO2-HF: Nuclear repulsion | 3984149.911546 |
FMO2-HF: Total energy | -112096.513578 |
FMO2-MP2: Total energy | -112425.162243 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F026861/ligand_interaction/ligand_F026861.png)
Ligand Interaction
![ligand interaction](./Kdata/F026861/ligand_interaction/ligand_interaction_F026861.png)
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:0:HIS)
Summations of interaction energy for
fragment #1(A:0:HIS)
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. |
1.609 | 5.188 | 0.433 | -1.688 | -2.323 | -0.005 |
Interaction energy analysis for fragmet #1(A:0:HIS)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 2 | ILE | 0 | 0.022 | -0.009 | 2.846 | -2.385 | -0.087 | 0.191 | -1.245 | -1.244 | -0.006 |
4 | A | 3 | GLY | 0 | -0.004 | -0.009 | 5.112 | 0.411 | 0.411 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 4 | ASP | -1 | -0.847 | -0.921 | 2.654 | 2.865 | 3.748 | 0.237 | -0.376 | -0.744 | 0.001 |
6 | A | 5 | MET | 0 | -0.024 | -0.017 | 3.433 | 0.322 | 0.692 | 0.006 | -0.067 | -0.309 | 0.000 |
7 | A | 6 | ASN | 0 | 0.022 | 0.003 | 5.231 | -0.022 | 0.006 | -0.001 | 0.000 | -0.026 | 0.000 |
8 | A | 7 | GLU | -1 | -0.801 | -0.899 | 7.651 | 0.279 | 0.279 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 8 | LEU | 0 | -0.019 | -0.006 | 5.840 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 9 | LEU | 0 | 0.030 | 0.020 | 8.871 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 10 | LEU | 0 | -0.026 | 0.024 | 11.268 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 11 | LYS | 1 | 0.939 | 0.966 | 12.753 | -0.593 | -0.593 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 12 | SER | 0 | -0.120 | -0.071 | 13.401 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 13 | VAL | 0 | 0.004 | -0.004 | 15.281 | -0.047 | -0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 14 | GLU | -1 | -0.900 | -0.965 | 16.902 | 0.365 | 0.365 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 15 | VAL | 0 | -0.045 | -0.015 | 19.572 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 16 | LEU | 0 | -0.034 | -0.018 | 20.076 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 17 | PRO | 0 | 0.021 | 0.030 | 23.296 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 18 | PRO | 0 | 0.024 | 0.002 | 26.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 19 | LEU | 0 | 0.007 | -0.004 | 27.561 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 20 | PRO | 0 | 0.044 | 0.003 | 29.493 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 21 | ASP | -1 | -0.889 | -0.950 | 32.690 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 22 | THR | 0 | -0.033 | -0.055 | 31.738 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 23 | VAL | 0 | 0.016 | 0.014 | 32.877 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 24 | SER | 0 | -0.030 | -0.025 | 35.624 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 25 | LYS | 1 | 0.925 | 0.959 | 36.760 | -0.125 | -0.125 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 26 | LEU | 0 | 0.017 | 0.021 | 36.707 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 27 | ARG | 1 | 0.996 | 0.990 | 39.544 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 28 | LYS | 1 | 0.891 | 0.964 | 41.327 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 29 | TYR | 0 | 0.050 | 0.029 | 42.683 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 30 | VAL | 0 | 0.012 | -0.006 | 41.690 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 31 | SER | 0 | -0.077 | -0.053 | 44.737 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 32 | GLU | -1 | -0.930 | -0.974 | 47.055 | 0.078 | 0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 33 | ALA | 0 | -0.009 | 0.019 | 47.574 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 34 | ASN | 0 | -0.106 | -0.054 | 48.557 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 35 | SER | 0 | 0.032 | 0.015 | 51.445 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 36 | ASN | 0 | -0.070 | -0.032 | 50.081 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 37 | ILE | 0 | 0.002 | 0.006 | 43.718 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 38 | GLU | -1 | -0.807 | -0.881 | 45.674 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 39 | THR | 0 | -0.015 | -0.041 | 41.800 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 40 | MET | 0 | 0.008 | 0.000 | 41.012 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 41 | LYS | 1 | 0.971 | 0.986 | 41.459 | -0.064 | -0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 42 | VAL | 0 | 0.014 | 0.007 | 37.791 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 43 | ALA | 0 | 0.024 | 0.001 | 37.030 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 44 | GLU | -1 | -0.949 | -0.962 | 36.512 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 45 | ILE | 0 | -0.053 | -0.016 | 35.845 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 46 | ILE | 0 | -0.026 | -0.017 | 31.896 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 47 | SER | 0 | -0.034 | -0.035 | 31.984 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 48 | SER | 0 | 0.013 | -0.008 | 31.866 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 49 | ASP | -1 | -0.747 | -0.816 | 28.409 | 0.185 | 0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 50 | PRO | 0 | 0.007 | -0.005 | 24.996 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 51 | LEU | 0 | 0.002 | 0.013 | 22.928 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 52 | MET | 0 | -0.007 | 0.000 | 25.264 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 53 | THR | 0 | -0.037 | -0.022 | 26.744 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 54 | ALA | 0 | 0.035 | 0.015 | 22.472 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 55 | LYS | 1 | 0.868 | 0.940 | 21.344 | -0.256 | -0.256 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 56 | LEU | 0 | -0.016 | -0.006 | 25.600 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 57 | LEU | 0 | 0.007 | 0.002 | 26.521 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 58 | GLN | 0 | 0.020 | 0.026 | 21.864 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 59 | LEU | 0 | -0.055 | -0.022 | 25.423 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 60 | ALA | 0 | 0.000 | -0.020 | 28.265 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 61 | ASN | 0 | -0.046 | -0.023 | 26.701 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 62 | SER | 0 | 0.015 | 0.007 | 27.216 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 63 | PRO | 0 | 0.005 | -0.022 | 26.929 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 64 | TYR | 0 | -0.062 | -0.014 | 30.038 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 65 | TYR | 0 | 0.015 | -0.002 | 32.001 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 66 | GLY | 0 | -0.031 | -0.007 | 33.000 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 67 | PHE | 0 | 0.008 | 0.014 | 32.814 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 68 | THR | 0 | -0.014 | -0.019 | 27.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 69 | ARG | 1 | 0.776 | 0.876 | 22.538 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 70 | GLU | -1 | -0.920 | -0.949 | 28.144 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 71 | ILE | 0 | -0.082 | -0.019 | 30.468 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 72 | THR | 0 | 0.014 | -0.011 | 29.448 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 73 | THR | 0 | -0.035 | -0.019 | 30.765 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 74 | ILE | 0 | 0.091 | 0.035 | 31.031 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 75 | ASN | 0 | 0.019 | -0.001 | 34.144 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 76 | GLN | 0 | 0.023 | 0.025 | 34.088 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 77 | VAL | 0 | 0.060 | 0.037 | 31.435 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 78 | ILE | 0 | -0.056 | -0.022 | 34.335 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 79 | THR | 0 | -0.065 | -0.032 | 37.461 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 80 | LEU | 0 | -0.028 | 0.004 | 33.590 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 81 | LEU | 0 | -0.022 | -0.007 | 31.719 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 82 | GLY | 0 | 0.046 | 0.032 | 36.253 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 83 | VAL | 0 | 0.018 | -0.016 | 37.913 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 84 | GLY | 0 | 0.004 | 0.006 | 39.126 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 85 | ASN | 0 | 0.017 | 0.004 | 34.950 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 86 | ILE | 0 | 0.007 | 0.014 | 34.247 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 87 | ILE | 0 | 0.006 | -0.009 | 35.019 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 88 | ASN | 0 | -0.024 | -0.017 | 36.144 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 89 | ILE | 0 | -0.039 | -0.010 | 30.026 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 90 | VAL | 0 | -0.008 | -0.012 | 31.813 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 91 | MET | 0 | -0.088 | -0.041 | 33.389 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 92 | ALA | 0 | -0.024 | 0.010 | 31.427 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 93 | ASP | -1 | -0.922 | -0.964 | 31.313 | 0.207 | 0.207 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 94 | SER | 0 | -0.026 | -0.010 | 25.929 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 95 | ILE | 0 | 0.059 | 0.025 | 27.951 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 96 | ARG | 1 | 0.915 | 0.942 | 25.996 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 97 | ASP | -1 | -0.897 | -0.948 | 22.381 | 0.392 | 0.392 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 98 | ASN | 0 | -0.009 | -0.013 | 21.304 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 99 | PHE | 0 | 0.028 | 0.029 | 18.531 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 100 | LYS | 1 | 0.879 | 0.946 | 20.665 | -0.442 | -0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 101 | ILE | 0 | 0.006 | -0.002 | 21.399 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 102 | ASP | -1 | -0.857 | -0.912 | 22.313 | 0.320 | 0.320 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 103 | VAL | 0 | 0.020 | 0.004 | 21.387 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 104 | SER | 0 | -0.033 | -0.044 | 22.625 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 105 | PRO | 0 | -0.009 | -0.006 | 17.962 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 106 | TYR | 0 | -0.026 | -0.058 | 15.736 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 107 | GLY | 0 | 0.029 | 0.022 | 20.888 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 108 | LEU | 0 | -0.038 | -0.001 | 23.661 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 109 | ASN | 0 | 0.047 | 0.014 | 26.109 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 110 | THR | 0 | 0.078 | 0.025 | 26.055 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 111 | GLN | 0 | 0.021 | 0.016 | 27.886 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 112 | ASN | 0 | -0.030 | -0.037 | 31.483 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 113 | PHE | 0 | 0.050 | 0.031 | 24.074 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 114 | LEU | 0 | 0.031 | 0.012 | 27.200 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 115 | LYS | 1 | 0.911 | 0.964 | 30.151 | -0.135 | -0.135 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 116 | THR | 0 | -0.003 | -0.011 | 30.860 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 117 | CYS | 0 | -0.016 | 0.007 | 28.100 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 118 | ASN | 0 | 0.039 | 0.029 | 30.795 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 119 | GLU | -1 | -0.956 | -0.977 | 34.240 | 0.097 | 0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 120 | GLU | -1 | -0.772 | -0.883 | 29.540 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 121 | ALA | 0 | -0.004 | -0.010 | 32.951 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 122 | THR | 0 | -0.035 | -0.030 | 34.204 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 123 | PHE | 0 | -0.021 | -0.014 | 35.267 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 124 | ILE | 0 | 0.012 | 0.020 | 31.883 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 125 | ALA | 0 | 0.004 | 0.004 | 36.457 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 126 | ASN | 0 | -0.065 | -0.038 | 39.238 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 127 | TRP | 0 | -0.032 | -0.017 | 34.923 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 128 | LEU | 0 | 0.014 | -0.001 | 36.632 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 129 | ASN | 0 | -0.025 | -0.013 | 40.638 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 130 | ASP | -1 | -0.949 | -0.962 | 42.372 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 131 | GLU | -1 | -0.868 | -0.930 | 42.592 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 132 | ASP | -1 | -0.880 | -0.969 | 39.458 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 133 | LYS | 1 | 1.003 | 1.017 | 39.701 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 134 | LYS | 1 | 0.936 | 0.960 | 38.160 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 135 | LEU | 0 | 0.039 | 0.036 | 33.781 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 136 | SER | 0 | 0.005 | -0.003 | 34.875 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 137 | HIS | 0 | -0.047 | -0.049 | 35.144 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 138 | LEU | 0 | 0.039 | 0.025 | 29.673 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 139 | LEU | 0 | -0.001 | -0.002 | 30.146 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 140 | VAL | 0 | 0.035 | 0.026 | 30.355 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 141 | PRO | 0 | 0.008 | -0.006 | 28.980 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 142 | CYS | 0 | -0.031 | -0.002 | 26.216 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 143 | ALA | 0 | 0.047 | 0.025 | 25.483 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 144 | MET | 0 | -0.025 | -0.004 | 26.163 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 145 | LEU | 0 | -0.006 | -0.009 | 22.670 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 146 | LEU | 0 | -0.010 | -0.003 | 21.136 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 147 | ARG | 1 | 0.733 | 0.845 | 21.452 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 148 | LEU | 0 | 0.011 | 0.005 | 20.088 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 149 | GLY | 0 | 0.023 | 0.018 | 17.578 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 150 | ILE | 0 | 0.024 | 0.007 | 17.001 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 151 | VAL | 0 | -0.017 | 0.016 | 18.580 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 152 | ILE | 0 | -0.008 | -0.005 | 14.535 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 153 | PHE | 0 | 0.010 | 0.005 | 11.689 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 154 | SER | 0 | -0.004 | -0.007 | 14.530 | 0.073 | 0.073 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 155 | ASN | 0 | 0.067 | 0.067 | 16.519 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 156 | PHE | 0 | 0.012 | 0.009 | 8.418 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 157 | LEU | 0 | 0.019 | -0.003 | 11.912 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 158 | ILE | 0 | -0.019 | -0.001 | 13.935 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 159 | GLN | 0 | -0.141 | -0.091 | 14.800 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 160 | ASN | 0 | -0.102 | -0.051 | 11.279 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 161 | HIS | 0 | -0.020 | 0.004 | 13.414 | 0.067 | 0.067 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 162 | LYS | 1 | 0.931 | 0.964 | 7.738 | -1.755 | -1.755 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 163 | ASP | -1 | -0.829 | -0.905 | 14.247 | 0.537 | 0.537 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 164 | LYS | 1 | 0.865 | 0.910 | 16.944 | -0.506 | -0.506 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 165 | ASP | -1 | -0.852 | -0.923 | 15.233 | 0.730 | 0.730 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 166 | PHE | 0 | -0.057 | -0.026 | 13.332 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 167 | LEU | 0 | 0.015 | 0.018 | 15.950 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 168 | ALA | 0 | -0.028 | 0.001 | 19.667 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 169 | PHE | 0 | 0.029 | 0.011 | 15.857 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 170 | LEU | 0 | 0.009 | 0.017 | 18.317 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 171 | ASN | 0 | -0.027 | -0.022 | 19.665 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 172 | LYS | 1 | 0.877 | 0.968 | 20.903 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 173 | ASN | 0 | -0.098 | -0.091 | 19.485 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 174 | GLU | -1 | -0.933 | -0.952 | 21.792 | 0.144 | 0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 175 | ASN | 0 | -0.009 | 0.000 | 18.821 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 176 | LEU | 0 | 0.031 | -0.003 | 18.074 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 177 | ALA | 0 | 0.038 | 0.028 | 15.312 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 178 | LEU | 0 | -0.006 | -0.008 | 13.866 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 179 | ALA | 0 | 0.055 | 0.030 | 13.568 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 180 | GLU | -1 | -0.773 | -0.830 | 12.013 | 0.413 | 0.413 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 181 | ASN | 0 | -0.023 | -0.021 | 9.482 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 182 | GLU | -1 | -0.948 | -0.955 | 8.581 | 1.136 | 1.136 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 183 | PHE | 0 | -0.002 | 0.003 | 9.066 | 0.323 | 0.323 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 184 | LEU | 0 | -0.081 | -0.065 | 6.779 | 0.359 | 0.359 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 185 | GLY | 0 | 0.020 | 0.028 | 5.358 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 186 | VAL | 0 | -0.048 | -0.021 | 6.410 | -0.353 | -0.353 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 187 | ASP | -1 | -0.749 | -0.842 | 8.942 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 188 | HIS | 1 | 0.838 | 0.864 | 12.671 | -0.260 | -0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 189 | ILE | 0 | -0.023 | -0.007 | 14.726 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 190 | SER | 0 | -0.009 | -0.042 | 12.289 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 191 | PHE | 0 | -0.021 | -0.002 | 11.023 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 192 | LEU | 0 | -0.031 | -0.011 | 12.858 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 193 | GLY | 0 | 0.045 | 0.021 | 16.339 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 194 | PHE | 0 | -0.049 | -0.020 | 11.900 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 195 | LEU | 0 | -0.009 | -0.005 | 14.545 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 196 | LEU | 0 | -0.006 | -0.015 | 15.973 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 197 | HIS | 0 | 0.023 | 0.019 | 17.641 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 198 | ARG | 1 | 0.831 | 0.909 | 13.074 | -0.161 | -0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 199 | TRP | 0 | -0.042 | -0.032 | 18.233 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 200 | ASN | 0 | -0.039 | -0.015 | 21.048 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 201 | PHE | 0 | 0.011 | -0.003 | 22.770 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 202 | ASP | -1 | -0.823 | -0.929 | 24.605 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 203 | ASP | -1 | -0.754 | -0.874 | 23.550 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 204 | VAL | 0 | -0.078 | -0.023 | 25.344 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 205 | LEU | 0 | 0.024 | 0.029 | 24.345 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 206 | ILE | 0 | -0.001 | 0.007 | 20.360 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 207 | GLU | -1 | -0.822 | -0.920 | 22.260 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 208 | SER | 0 | -0.029 | -0.040 | 23.793 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 209 | ILE | 0 | -0.007 | 0.001 | 20.396 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 210 | CYS | 0 | -0.053 | -0.035 | 19.275 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 211 | PHE | 0 | -0.021 | -0.002 | 20.747 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 212 | VAL | 0 | -0.005 | 0.008 | 22.310 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 213 | ARG | 1 | 0.861 | 0.910 | 21.369 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 214 | THR | 0 | 0.004 | 0.009 | 23.970 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 215 | PRO | 0 | 0.044 | 0.031 | 26.095 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 216 | HIS | 0 | 0.034 | 0.007 | 28.481 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 217 | ALA | 0 | -0.064 | -0.029 | 26.205 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 218 | ALA | 0 | 0.006 | 0.024 | 26.957 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 219 | ARG | 1 | 0.918 | 0.935 | 27.195 | 0.053 | 0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 220 | GLU | -1 | -0.819 | -0.923 | 29.893 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 221 | LYS | 1 | 0.884 | 0.941 | 31.530 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 222 | VAL | 0 | -0.032 | -0.009 | 26.889 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 223 | LYS | 1 | 0.883 | 0.969 | 30.361 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 224 | LYS | 1 | 0.909 | 0.981 | 31.768 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 225 | SER | 0 | 0.054 | 0.000 | 29.766 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 226 | ALA | 0 | 0.026 | 0.017 | 27.599 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 227 | TYR | 0 | -0.098 | -0.135 | 28.936 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 228 | ALA | 0 | -0.001 | 0.003 | 31.738 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 229 | LEU | 0 | -0.001 | 0.018 | 25.223 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 230 | ALA | 0 | 0.070 | 0.023 | 28.179 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 231 | ILE | 0 | -0.068 | -0.020 | 29.118 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 232 | THR | 0 | 0.005 | -0.016 | 30.884 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 233 | ASP | -1 | -0.779 | -0.881 | 25.967 | 0.111 | 0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 234 | HIS | 0 | -0.045 | -0.017 | 28.892 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 235 | LEU | 0 | -0.052 | -0.016 | 30.796 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 236 | PHE | 0 | -0.003 | -0.001 | 31.090 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 237 | ALA | 0 | 0.016 | 0.035 | 26.284 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 238 | PRO | 0 | -0.051 | -0.042 | 24.615 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 239 | HIS | 0 | -0.029 | -0.022 | 22.316 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 240 | ASP | -1 | -0.844 | -0.917 | 27.090 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 241 | GLY | 0 | 0.034 | 0.053 | 29.719 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 242 | SER | 0 | -0.068 | -0.094 | 31.331 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 243 | SER | 0 | -0.006 | 0.022 | 32.186 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 244 | PRO | 0 | 0.013 | -0.002 | 34.990 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 245 | PHE | 0 | 0.043 | 0.034 | 30.407 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 246 | ASN | 0 | -0.014 | -0.030 | 29.559 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 247 | ALA | 0 | -0.020 | -0.006 | 33.397 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 248 | LYS | 1 | 0.802 | 0.865 | 36.703 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 249 | ALA | 0 | 0.008 | 0.015 | 32.696 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 250 | ALA | 0 | 0.018 | 0.013 | 34.291 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 251 | VAL | 0 | -0.025 | -0.020 | 35.148 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 252 | ALA | 0 | -0.024 | -0.016 | 36.144 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 253 | LEU | 0 | 0.051 | 0.023 | 30.747 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 254 | LEU | 0 | -0.037 | 0.003 | 35.347 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 255 | LYS | 1 | 0.915 | 0.946 | 38.102 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 256 | GLU | -1 | -0.755 | -0.793 | 33.102 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 257 | ALA | 0 | 0.030 | 0.048 | 35.873 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 258 | LYS | 1 | 0.872 | 0.954 | 37.166 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 259 | THR | 0 | -0.093 | -0.082 | 38.576 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 260 | GLN | 0 | -0.017 | -0.014 | 34.684 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 261 | GLY | 0 | 0.006 | 0.009 | 39.312 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 262 | ILE | 0 | -0.050 | -0.007 | 36.174 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 263 | ASN | 0 | -0.039 | -0.041 | 39.534 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 264 | PHE | 0 | 0.033 | 0.023 | 35.502 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 265 | ASP | -1 | -0.891 | -0.963 | 41.447 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 266 | LEU | 0 | 0.011 | -0.006 | 43.007 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 267 | ASN | 0 | 0.038 | 0.004 | 44.153 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 268 | ASN | 0 | -0.021 | -0.008 | 43.250 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 269 | LEU | 0 | 0.006 | 0.016 | 38.203 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 270 | LEU | 0 | -0.019 | -0.022 | 42.090 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 271 | SER | 0 | -0.080 | -0.040 | 43.888 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 272 | LYS | 1 | 0.918 | 0.969 | 41.936 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 273 | LEU | 0 | -0.032 | 0.005 | 38.779 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 274 | PRO | 0 | 0.065 | 0.036 | 37.062 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 275 | ASN | 0 | 0.030 | -0.005 | 40.348 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 276 | LYS | 1 | 0.965 | 1.001 | 34.364 | -0.104 | -0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 277 | ALA | 0 | 0.040 | 0.022 | 37.782 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 278 | LYS | 1 | 0.877 | 0.939 | 39.328 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 279 | GLU | -1 | -0.939 | -0.973 | 42.998 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 280 | ASN | 0 | -0.034 | -0.022 | 37.663 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 281 | LEU | 0 | -0.005 | 0.009 | 40.190 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 282 | ASN | 0 | -0.041 | -0.028 | 41.929 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 283 | LYS | 1 | 0.838 | 0.926 | 41.239 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 284 | GLU | -1 | -0.850 | -0.903 | 40.266 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 285 | ASP | -1 | -0.893 | -0.948 | 35.648 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |