![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: MV8VZ
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 | OptHSide |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 286 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4098297.287952 |
---|---|
FMO2-HF: Nuclear repulsion | 3986199.523906 |
FMO2-HF: Total energy | -112097.764046 |
FMO2-MP2: Total energy | -112426.377209 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F026860/ligand_interaction/ligand_F026860.png)
Ligand Interaction
![ligand interaction](./Kdata/F026860/ligand_interaction/ligand_interaction_F026860.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. |
-9.735 | -3.08 | 1.187 | -4.006 | -3.838 | -0.027 |
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 | 0.015 | -0.012 | 3.205 | -1.640 | 0.571 | 0.087 | -1.184 | -1.115 | 0.002 |
4 | A | 3 | GLY | 0 | 0.007 | -0.003 | 5.244 | 0.255 | 0.255 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 4 | ASP | -1 | -0.805 | -0.896 | 2.525 | -11.569 | -7.583 | 1.096 | -2.710 | -2.373 | -0.029 |
6 | A | 5 | MET | 0 | -0.009 | -0.014 | 3.723 | 0.334 | 0.763 | 0.005 | -0.112 | -0.323 | 0.000 |
7 | A | 6 | ASN | 0 | 0.001 | -0.006 | 5.262 | 0.243 | 0.272 | -0.001 | 0.000 | -0.027 | 0.000 |
8 | A | 7 | GLU | -1 | -0.746 | -0.851 | 7.786 | -0.249 | -0.249 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 8 | LEU | 0 | -0.018 | -0.006 | 5.833 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 9 | LEU | 0 | 0.026 | 0.019 | 8.849 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 10 | LEU | 0 | -0.018 | 0.014 | 11.273 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 11 | LYS | 1 | 0.837 | 0.890 | 12.479 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 12 | SER | 0 | -0.110 | -0.055 | 13.545 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 13 | VAL | 0 | 0.008 | 0.002 | 15.289 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 14 | GLU | -1 | -0.800 | -0.887 | 16.509 | 0.096 | 0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 15 | VAL | 0 | -0.024 | -0.005 | 19.482 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 16 | LEU | 0 | -0.024 | -0.012 | 19.752 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 17 | PRO | 0 | 0.021 | 0.026 | 23.297 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 18 | PRO | 0 | 0.007 | -0.002 | 26.326 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 19 | LEU | 0 | 0.014 | -0.004 | 27.498 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 20 | PRO | 0 | 0.034 | -0.001 | 29.773 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 21 | ASP | -1 | -0.864 | -0.924 | 32.921 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 22 | THR | 0 | 0.018 | -0.022 | 31.664 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 23 | VAL | 0 | 0.013 | 0.013 | 33.035 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 24 | SER | 0 | -0.043 | -0.024 | 35.714 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 25 | LYS | 1 | 0.875 | 0.926 | 37.110 | -0.167 | -0.167 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 26 | LEU | 0 | 0.026 | 0.017 | 36.721 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 27 | ARG | 1 | 0.988 | 0.993 | 39.524 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 28 | LYS | 1 | 0.816 | 0.908 | 41.374 | -0.110 | -0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 29 | TYR | 0 | 0.044 | 0.020 | 42.653 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 30 | VAL | 0 | 0.011 | -0.004 | 41.696 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 31 | SER | 0 | -0.085 | -0.075 | 44.721 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 32 | GLU | -1 | -0.865 | -0.908 | 47.069 | 0.093 | 0.093 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 33 | ALA | 0 | -0.001 | 0.018 | 47.564 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 34 | ASN | 0 | -0.096 | -0.046 | 48.543 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 35 | SER | 0 | 0.033 | 0.017 | 51.422 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 36 | ASN | 0 | -0.068 | -0.035 | 50.094 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 37 | ILE | 0 | -0.003 | 0.004 | 43.842 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 38 | GLU | -1 | -0.795 | -0.866 | 45.316 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 39 | THR | 0 | -0.012 | -0.029 | 41.788 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 40 | MET | 0 | 0.017 | -0.005 | 40.999 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 41 | LYS | 1 | 0.827 | 0.893 | 41.355 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 42 | VAL | 0 | 0.008 | 0.003 | 37.772 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 43 | ALA | 0 | 0.032 | 0.007 | 37.000 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 44 | GLU | -1 | -0.849 | -0.891 | 36.457 | 0.100 | 0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 45 | ILE | 0 | -0.050 | -0.018 | 35.970 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 46 | ILE | 0 | -0.007 | -0.009 | 31.842 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 47 | SER | 0 | -0.030 | -0.032 | 31.921 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 48 | SER | 0 | -0.005 | -0.017 | 31.774 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 49 | ASP | -1 | -0.737 | -0.824 | 28.327 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 50 | PRO | 0 | 0.009 | -0.010 | 24.838 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 51 | LEU | 0 | -0.005 | 0.014 | 22.665 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 52 | MET | 0 | 0.000 | -0.001 | 25.207 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 53 | THR | 0 | -0.037 | -0.017 | 26.757 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 54 | ALA | 0 | 0.028 | 0.012 | 22.497 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 55 | LYS | 1 | 0.802 | 0.897 | 21.041 | -0.210 | -0.210 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 56 | LEU | 0 | -0.012 | -0.007 | 25.641 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 57 | LEU | 0 | 0.014 | 0.006 | 26.600 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 58 | GLN | 0 | 0.044 | 0.045 | 21.449 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 59 | LEU | 0 | -0.052 | -0.024 | 25.519 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 60 | ALA | 0 | 0.003 | -0.018 | 28.384 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 61 | ASN | 0 | -0.043 | -0.022 | 26.848 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 62 | SER | 0 | 0.029 | 0.017 | 27.391 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 63 | PRO | 0 | 0.009 | -0.018 | 27.103 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 64 | TYR | 0 | -0.079 | -0.024 | 30.179 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 65 | TYR | 0 | 0.024 | 0.000 | 31.956 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 66 | GLY | 0 | -0.034 | -0.006 | 33.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 67 | PHE | 0 | 0.008 | 0.012 | 32.990 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 68 | THR | 0 | -0.024 | -0.024 | 27.226 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 69 | ARG | 1 | 0.771 | 0.854 | 22.640 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 70 | GLU | -1 | -0.910 | -0.948 | 28.276 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 71 | ILE | 0 | -0.089 | -0.027 | 30.572 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 72 | THR | 0 | 0.007 | -0.007 | 29.543 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 73 | THR | 0 | -0.027 | -0.028 | 30.799 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 74 | ILE | 0 | 0.081 | 0.028 | 30.810 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 75 | ASN | 0 | 0.025 | 0.006 | 34.143 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 76 | GLN | 0 | 0.036 | 0.052 | 34.417 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 77 | VAL | 0 | 0.048 | 0.029 | 31.290 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 78 | ILE | 0 | -0.048 | -0.018 | 34.390 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 79 | THR | 0 | -0.072 | -0.048 | 37.506 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 80 | LEU | 0 | -0.031 | 0.006 | 33.757 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 81 | LEU | 0 | -0.006 | 0.002 | 31.792 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 82 | GLY | 0 | 0.041 | 0.040 | 36.350 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 83 | VAL | 0 | 0.019 | -0.018 | 37.980 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 84 | GLY | 0 | 0.004 | 0.009 | 39.173 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 85 | ASN | 0 | -0.008 | -0.018 | 35.139 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 86 | ILE | 0 | 0.015 | 0.017 | 34.247 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 87 | ILE | 0 | 0.000 | -0.007 | 35.050 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 88 | ASN | 0 | -0.027 | -0.020 | 36.307 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 89 | ILE | 0 | -0.027 | -0.007 | 30.105 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 90 | VAL | 0 | -0.015 | -0.012 | 31.843 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 91 | MET | 0 | -0.076 | -0.036 | 33.395 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 92 | ALA | 0 | -0.028 | 0.006 | 31.426 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 93 | ASP | -1 | -0.911 | -0.959 | 31.367 | 0.224 | 0.224 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 94 | SER | 0 | -0.029 | -0.010 | 25.822 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 95 | ILE | 0 | 0.056 | 0.025 | 28.023 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 96 | ARG | 1 | 0.924 | 0.948 | 25.606 | -0.277 | -0.277 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 97 | ASP | -1 | -0.895 | -0.938 | 22.495 | 0.416 | 0.416 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 98 | ASN | 0 | 0.011 | 0.000 | 21.862 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 99 | PHE | 0 | 0.031 | 0.032 | 18.601 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 100 | LYS | 1 | 0.824 | 0.899 | 21.147 | -0.559 | -0.559 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 101 | ILE | 0 | 0.005 | -0.002 | 21.818 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 102 | ASP | -1 | -0.806 | -0.913 | 22.757 | 0.492 | 0.492 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 103 | VAL | 0 | -0.005 | -0.002 | 21.819 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 104 | SER | 0 | -0.024 | -0.024 | 23.038 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 105 | PRO | 0 | 0.003 | 0.003 | 18.700 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 106 | TYR | 0 | -0.044 | -0.058 | 16.083 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 107 | GLY | 0 | 0.030 | 0.021 | 21.332 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 108 | LEU | 0 | -0.050 | -0.007 | 23.811 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 109 | ASN | 0 | 0.030 | 0.006 | 26.524 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 110 | THR | 0 | 0.069 | 0.020 | 26.518 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 111 | GLN | 0 | 0.015 | 0.014 | 28.265 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 112 | ASN | 0 | -0.018 | -0.032 | 31.817 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 113 | PHE | 0 | 0.065 | 0.037 | 24.138 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 114 | LEU | 0 | 0.030 | 0.017 | 27.260 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 115 | LYS | 1 | 0.817 | 0.919 | 30.254 | -0.222 | -0.222 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 116 | THR | 0 | 0.021 | -0.006 | 30.940 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 117 | CYS | 0 | -0.015 | 0.004 | 28.092 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 118 | ASN | 0 | 0.040 | 0.030 | 30.681 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 119 | GLU | -1 | -0.883 | -0.931 | 34.108 | 0.165 | 0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 120 | GLU | -1 | -0.753 | -0.844 | 29.145 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 121 | ALA | 0 | -0.004 | -0.008 | 32.695 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 122 | THR | 0 | -0.035 | -0.040 | 34.063 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 123 | PHE | 0 | -0.022 | -0.013 | 35.054 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 124 | ILE | 0 | 0.017 | 0.026 | 31.673 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 125 | ALA | 0 | -0.010 | -0.003 | 36.317 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 126 | ASN | 0 | -0.050 | -0.030 | 39.121 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 127 | TRP | 0 | -0.030 | -0.011 | 34.779 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 128 | LEU | 0 | 0.032 | 0.001 | 36.510 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 129 | ASN | 0 | -0.016 | 0.006 | 40.557 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 130 | ASP | -1 | -0.950 | -0.965 | 42.281 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 131 | GLU | -1 | -0.860 | -0.925 | 42.460 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 132 | ASP | -1 | -0.836 | -0.926 | 39.393 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 133 | LYS | 1 | 1.006 | 1.014 | 39.629 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 134 | LYS | 1 | 0.923 | 0.958 | 38.186 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 135 | LEU | 0 | 0.031 | 0.025 | 33.726 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 136 | SER | 0 | 0.007 | -0.015 | 34.807 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 137 | HIS | 0 | -0.038 | -0.042 | 35.069 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 138 | LEU | 0 | 0.044 | 0.032 | 29.824 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 139 | LEU | 0 | 0.005 | 0.007 | 30.073 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 140 | VAL | 0 | 0.045 | 0.027 | 30.257 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 141 | PRO | 0 | 0.007 | -0.004 | 28.803 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 142 | CYS | 0 | -0.045 | -0.010 | 26.145 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 143 | ALA | 0 | 0.041 | 0.023 | 25.378 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 144 | MET | 0 | -0.018 | -0.001 | 26.019 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 145 | LEU | 0 | -0.001 | -0.007 | 22.566 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 146 | LEU | 0 | -0.014 | -0.006 | 20.903 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 147 | ARG | 1 | 0.711 | 0.802 | 21.285 | -0.186 | -0.186 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 148 | LEU | 0 | 0.004 | -0.002 | 20.008 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 149 | GLY | 0 | 0.020 | 0.017 | 17.434 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 150 | ILE | 0 | 0.029 | 0.011 | 16.924 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 151 | VAL | 0 | -0.018 | 0.022 | 18.725 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 152 | ILE | 0 | -0.007 | -0.001 | 14.491 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 153 | PHE | 0 | 0.010 | 0.003 | 11.400 | 0.107 | 0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 154 | SER | 0 | -0.001 | -0.017 | 14.937 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 155 | ASN | 0 | 0.057 | 0.054 | 17.113 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 156 | PHE | 0 | 0.019 | 0.012 | 8.913 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 157 | LEU | 0 | 0.031 | 0.012 | 12.701 | 0.183 | 0.183 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 158 | ILE | 0 | -0.031 | -0.011 | 14.697 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 159 | GLN | 0 | -0.109 | -0.065 | 15.410 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 160 | ASN | 0 | -0.114 | -0.062 | 11.803 | 0.143 | 0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 161 | HIS | 0 | -0.031 | -0.005 | 13.939 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 162 | LYS | 1 | 0.936 | 0.961 | 8.635 | -3.603 | -3.603 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 163 | ASP | -1 | -0.816 | -0.896 | 15.078 | 0.873 | 0.873 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 164 | LYS | 1 | 0.847 | 0.902 | 17.852 | -0.802 | -0.802 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 165 | ASP | -1 | -0.857 | -0.923 | 15.901 | 1.241 | 1.241 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 166 | PHE | 0 | -0.054 | -0.024 | 14.069 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 167 | LEU | 0 | 0.010 | 0.015 | 16.763 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 168 | ALA | 0 | -0.029 | 0.001 | 20.325 | -0.076 | -0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 169 | PHE | 0 | 0.033 | 0.010 | 15.629 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 170 | LEU | 0 | -0.014 | -0.010 | 18.763 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 171 | ASN | 0 | -0.027 | -0.024 | 20.197 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 172 | LYS | 1 | 0.865 | 0.947 | 21.497 | -0.592 | -0.592 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 173 | ASN | 0 | -0.052 | -0.035 | 18.860 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 174 | GLU | -1 | -0.952 | -0.959 | 21.851 | 0.334 | 0.334 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 175 | ASN | 0 | -0.005 | 0.000 | 18.731 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 176 | LEU | 0 | 0.033 | 0.004 | 18.165 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 177 | ALA | 0 | 0.034 | 0.020 | 15.142 | 0.102 | 0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 178 | LEU | 0 | 0.014 | 0.012 | 13.768 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 179 | ALA | 0 | 0.056 | 0.031 | 13.603 | 0.156 | 0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 180 | GLU | -1 | -0.774 | -0.838 | 12.160 | 0.913 | 0.913 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 181 | ASN | 0 | -0.053 | -0.044 | 9.378 | 0.284 | 0.284 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 182 | GLU | -1 | -0.936 | -0.948 | 8.597 | 2.232 | 2.232 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 183 | PHE | 0 | -0.005 | -0.001 | 9.231 | 0.587 | 0.587 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 184 | LEU | 0 | -0.079 | -0.059 | 7.317 | 0.770 | 0.770 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 185 | GLY | 0 | 0.025 | 0.030 | 5.186 | 0.586 | 0.586 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 186 | VAL | 0 | -0.052 | -0.024 | 6.273 | -0.845 | -0.845 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 187 | ASP | -1 | -0.772 | -0.854 | 8.698 | 0.488 | 0.488 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 188 | HIS | 1 | 0.864 | 0.877 | 12.446 | -0.588 | -0.588 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 189 | ILE | 0 | -0.023 | -0.009 | 14.535 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 190 | SER | 0 | -0.004 | -0.034 | 12.263 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 191 | PHE | 0 | -0.017 | -0.004 | 10.858 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 192 | LEU | 0 | -0.022 | -0.007 | 12.793 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 193 | GLY | 0 | 0.049 | 0.022 | 16.300 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 194 | PHE | 0 | -0.062 | -0.027 | 12.001 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 195 | LEU | 0 | -0.019 | -0.005 | 14.616 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 196 | LEU | 0 | 0.001 | -0.010 | 16.037 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 197 | HIS | 0 | 0.029 | 0.028 | 17.684 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 198 | ARG | 1 | 0.795 | 0.871 | 12.979 | 0.324 | 0.324 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 199 | TRP | 0 | -0.062 | -0.045 | 18.400 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 200 | ASN | 0 | -0.046 | -0.016 | 21.184 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 201 | PHE | 0 | 0.037 | 0.008 | 22.820 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 202 | ASP | -1 | -0.786 | -0.907 | 24.694 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 203 | ASP | -1 | -0.788 | -0.864 | 24.090 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 204 | VAL | 0 | -0.070 | -0.038 | 25.378 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 205 | LEU | 0 | 0.017 | 0.013 | 24.467 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 206 | ILE | 0 | 0.010 | 0.011 | 20.335 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 207 | GLU | -1 | -0.740 | -0.839 | 22.229 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 208 | SER | 0 | -0.023 | -0.018 | 23.775 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 209 | ILE | 0 | -0.005 | 0.000 | 20.447 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 210 | CYS | 0 | -0.064 | -0.039 | 19.371 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 211 | PHE | 0 | -0.019 | -0.001 | 20.663 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 212 | VAL | 0 | 0.003 | 0.011 | 22.172 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 213 | ARG | 1 | 0.810 | 0.874 | 21.202 | -0.196 | -0.196 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 214 | THR | 0 | -0.002 | 0.009 | 23.760 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 215 | PRO | 0 | 0.050 | 0.033 | 25.940 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 216 | HIS | 0 | 0.016 | 0.003 | 27.899 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 217 | ALA | 0 | -0.059 | -0.032 | 26.133 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 218 | ALA | 0 | 0.000 | 0.023 | 26.903 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 219 | ARG | 1 | 0.853 | 0.866 | 26.871 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 220 | GLU | -1 | -0.789 | -0.897 | 29.882 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 221 | LYS | 1 | 0.891 | 0.946 | 31.412 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 222 | VAL | 0 | -0.039 | -0.010 | 26.847 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 223 | LYS | 1 | 0.836 | 0.937 | 30.304 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 224 | LYS | 1 | 0.853 | 0.929 | 31.698 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 225 | SER | 0 | 0.047 | -0.008 | 29.694 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 226 | ALA | 0 | 0.029 | 0.020 | 27.543 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 227 | TYR | 0 | -0.051 | -0.069 | 28.833 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 228 | ALA | 0 | -0.003 | 0.005 | 31.602 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 229 | LEU | 0 | 0.003 | 0.013 | 25.131 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 230 | ALA | 0 | 0.051 | 0.020 | 28.025 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 231 | ILE | 0 | -0.068 | -0.015 | 28.937 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 232 | THR | 0 | 0.008 | -0.020 | 30.716 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 233 | ASP | -1 | -0.734 | -0.842 | 25.406 | 0.232 | 0.232 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 234 | HIS | 0 | -0.048 | -0.024 | 28.679 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 235 | LEU | 0 | -0.041 | -0.011 | 30.551 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 236 | PHE | 0 | -0.008 | -0.007 | 30.884 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 237 | ALA | 0 | 0.015 | 0.033 | 26.226 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 238 | PRO | 0 | -0.052 | -0.041 | 24.846 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 239 | HIS | 0 | -0.022 | -0.017 | 22.527 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 240 | ASP | -1 | -0.843 | -0.913 | 27.194 | 0.246 | 0.246 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 241 | GLY | 0 | 0.039 | 0.052 | 29.714 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 242 | SER | 0 | -0.063 | -0.085 | 31.209 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 243 | SER | 0 | -0.010 | 0.016 | 32.194 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 244 | PRO | 0 | 0.020 | 0.004 | 34.907 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 245 | PHE | 0 | 0.038 | 0.029 | 29.848 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 246 | ASN | 0 | -0.009 | -0.032 | 29.514 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 247 | ALA | 0 | -0.014 | -0.006 | 33.122 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 248 | LYS | 1 | 0.804 | 0.878 | 36.435 | -0.122 | -0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 249 | ALA | 0 | 0.003 | 0.014 | 32.419 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 250 | ALA | 0 | 0.015 | 0.010 | 34.068 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 251 | VAL | 0 | -0.019 | -0.020 | 34.920 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 252 | ALA | 0 | -0.022 | -0.014 | 35.973 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 253 | LEU | 0 | 0.050 | 0.026 | 30.705 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 254 | LEU | 0 | -0.038 | -0.003 | 35.152 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 255 | LYS | 1 | 0.909 | 0.947 | 37.925 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 256 | GLU | -1 | -0.802 | -0.863 | 32.957 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 257 | ALA | 0 | 0.025 | 0.029 | 35.638 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 258 | LYS | 1 | 0.846 | 0.920 | 37.030 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 259 | THR | 0 | -0.088 | -0.056 | 38.477 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 260 | GLN | 0 | -0.007 | -0.006 | 34.287 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 261 | GLY | 0 | 0.002 | 0.007 | 39.213 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 262 | ILE | 0 | -0.052 | -0.013 | 36.119 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 263 | ASN | 0 | -0.022 | -0.020 | 39.441 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 264 | PHE | 0 | 0.057 | 0.037 | 35.612 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 265 | ASP | -1 | -0.815 | -0.924 | 41.313 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 266 | LEU | 0 | -0.001 | -0.005 | 42.900 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 267 | ASN | 0 | -0.024 | -0.027 | 43.961 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 268 | ASN | 0 | 0.008 | 0.015 | 43.332 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 269 | LEU | 0 | 0.007 | 0.020 | 37.900 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 270 | LEU | 0 | -0.006 | -0.017 | 41.903 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 271 | SER | 0 | -0.032 | -0.030 | 43.674 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 272 | LYS | 1 | 0.894 | 0.957 | 41.755 | -0.062 | -0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 273 | LEU | 0 | -0.030 | 0.011 | 38.499 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 274 | PRO | 0 | 0.065 | 0.045 | 36.785 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 275 | ASN | 0 | -0.009 | -0.031 | 40.137 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 276 | LYS | 1 | 0.927 | 0.973 | 33.865 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 277 | ALA | 0 | 0.034 | 0.021 | 37.526 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 278 | LYS | 1 | 0.779 | 0.871 | 39.138 | -0.095 | -0.095 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 279 | GLU | -1 | -0.894 | -0.945 | 42.828 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 280 | ASN | 0 | -0.033 | -0.014 | 37.764 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 281 | LEU | 0 | -0.009 | 0.012 | 40.138 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 282 | ASN | 0 | -0.041 | -0.028 | 41.684 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 283 | LYS | 1 | 0.850 | 0.929 | 41.160 | -0.126 | -0.126 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 284 | GLU | -1 | -0.855 | -0.918 | 40.270 | 0.103 | 0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 285 | ASP | -1 | -0.872 | -0.933 | 35.537 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |