FMODB ID: YZZL2
Calculation Name: 5L2P-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 5L2P
Chain ID: A
UniProt ID: B5BLW5
Base Structure: X-ray
Registration Date: 2023-06-21
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 | OptAll |
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 | 306 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -4780544.125321 |
---|---|
FMO2-HF: Nuclear repulsion | 4659811.841116 |
FMO2-HF: Total energy | -120732.284204 |
FMO2-MP2: Total energy | -121086.054742 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:1:MET)
Summations of interaction energy for
fragment #1(A:1:MET)
IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
-14.668 | -6.949 | 4.038 | -3.806 | -7.95 | -0.014 |
Interaction energy analysis for fragmet #1(A:1:MET)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 3 | LEU | 0 | -0.027 | -0.015 | 2.933 | -1.584 | 0.855 | 0.079 | -1.056 | -1.462 | 0.001 |
4 | A | 4 | ASP | -1 | -0.793 | -0.897 | 5.203 | -0.051 | 0.055 | -0.001 | -0.007 | -0.097 | 0.000 |
5 | A | 5 | PRO | 0 | 0.011 | -0.005 | 8.806 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 6 | GLU | -1 | -0.786 | -0.847 | 10.278 | -0.457 | -0.457 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | VAL | 0 | 0.008 | 0.010 | 7.703 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | ARG | 1 | 0.890 | 0.938 | 3.068 | -5.311 | -3.826 | 0.066 | -0.795 | -0.757 | 0.006 |
9 | A | 9 | ASN | 0 | 0.007 | -0.001 | 7.822 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | PHE | 0 | 0.023 | 0.024 | 11.093 | 0.070 | 0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | LEU | 0 | 0.012 | 0.011 | 6.830 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | GLN | 0 | -0.065 | -0.039 | 8.769 | 0.260 | 0.260 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | VAL | 0 | 0.008 | 0.018 | 11.232 | 0.113 | 0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | TYR | 0 | -0.002 | 0.003 | 12.695 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | TYR | 0 | -0.051 | -0.069 | 9.585 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | LYS | 1 | 0.848 | 0.926 | 12.911 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | ALA | 0 | -0.022 | -0.005 | 16.809 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | ASN | 0 | -0.079 | -0.034 | 18.517 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | ILE | 0 | 0.017 | 0.003 | 18.925 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | ILE | 0 | -0.018 | -0.010 | 18.652 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | ASP | -1 | -0.765 | -0.860 | 21.257 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | PHE | 0 | 0.010 | -0.013 | 23.801 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | THR | 0 | -0.045 | -0.033 | 26.103 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | LYS | 1 | 0.893 | 0.967 | 27.224 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | TYR | 0 | -0.029 | -0.012 | 25.159 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | GLN | 0 | 0.072 | 0.027 | 29.067 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | PHE | 0 | 0.019 | 0.003 | 26.669 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 28 | GLN | 0 | 0.027 | 0.010 | 28.538 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | GLU | -1 | -0.777 | -0.870 | 29.849 | -0.163 | -0.163 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | ILE | 0 | -0.025 | -0.001 | 23.714 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 31 | ARG | 1 | 0.740 | 0.827 | 25.270 | 0.180 | 0.180 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | GLN | 0 | -0.040 | -0.024 | 26.548 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | LYS | 1 | 0.851 | 0.907 | 24.276 | 0.177 | 0.177 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | VAL | 0 | -0.007 | -0.003 | 20.558 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | ASN | 0 | 0.032 | 0.011 | 22.816 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | GLU | -1 | -0.808 | -0.897 | 25.447 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | LEU | 0 | -0.031 | 0.000 | 17.822 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | LEU | 0 | 0.001 | -0.010 | 19.236 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | ALA | 0 | -0.001 | 0.003 | 22.107 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | LYS | 1 | 0.746 | 0.860 | 23.595 | 0.230 | 0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | ALA | 0 | -0.038 | 0.000 | 19.054 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | VAL | 0 | -0.003 | -0.015 | 20.124 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | PRO | 0 | -0.021 | -0.009 | 22.590 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | LYS | 1 | 0.901 | 0.941 | 25.912 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | ASP | -1 | -0.767 | -0.840 | 28.952 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | PRO | 0 | -0.010 | 0.004 | 30.940 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | VAL | 0 | -0.008 | -0.017 | 33.817 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | GLY | 0 | 0.002 | 0.009 | 36.496 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | GLU | -1 | -0.810 | -0.878 | 39.228 | -0.109 | -0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | THR | 0 | -0.060 | -0.051 | 36.123 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | ARG | 1 | 0.872 | 0.932 | 38.834 | 0.121 | 0.121 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | ASP | -1 | -0.812 | -0.885 | 38.069 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | MET | 0 | -0.034 | -0.017 | 40.473 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | LYS | 1 | 0.859 | 0.925 | 40.780 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | ILE | 0 | 0.008 | 0.021 | 39.715 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | LYS | 1 | 0.857 | 0.912 | 43.186 | 0.090 | 0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | LEU | 0 | -0.017 | -0.007 | 40.803 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | GLU | -1 | -0.942 | -0.978 | 45.467 | -0.091 | -0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | ASP | -1 | -0.844 | -0.902 | 42.443 | -0.118 | -0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | TYR | 0 | -0.015 | -0.002 | 37.094 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | GLU | -1 | -0.864 | -0.937 | 42.290 | -0.097 | -0.097 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | LEU | 0 | 0.041 | 0.038 | 36.026 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | PRO | 0 | -0.017 | -0.001 | 36.786 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | ILE | 0 | -0.019 | -0.008 | 36.413 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | ARG | 1 | 0.793 | 0.886 | 33.691 | 0.168 | 0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | ILE | 0 | 0.003 | -0.003 | 35.783 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | TYR | 0 | -0.035 | -0.050 | 32.282 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | SER | 0 | 0.010 | -0.017 | 37.108 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | PRO | 0 | 0.006 | 0.017 | 35.954 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | ILE | 0 | -0.047 | -0.031 | 36.282 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | LYS | 1 | 0.921 | 0.956 | 37.758 | 0.131 | 0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | ARG | 1 | 0.870 | 0.939 | 38.583 | 0.114 | 0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | THR | 0 | -0.049 | -0.051 | 38.967 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | ASN | 0 | -0.016 | -0.002 | 37.203 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | ASN | 0 | 0.006 | -0.006 | 41.372 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | GLY | 0 | 0.057 | 0.029 | 37.953 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | LEU | 0 | -0.015 | -0.014 | 36.955 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | VAL | 0 | -0.011 | -0.008 | 30.346 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | MET | 0 | 0.001 | 0.016 | 33.701 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | HIS | 0 | -0.028 | -0.027 | 26.113 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | PHE | 0 | 0.024 | 0.001 | 28.436 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | HIS | 1 | 0.876 | 0.935 | 25.908 | 0.243 | 0.243 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | GLY | 0 | 0.028 | 0.012 | 22.324 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | GLY | 0 | 0.003 | 0.005 | 22.000 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | ALA | 0 | -0.004 | -0.021 | 20.475 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | TRP | 0 | 0.031 | 0.000 | 22.357 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | ILE | 0 | -0.003 | 0.019 | 23.262 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | LEU | 0 | -0.009 | -0.003 | 22.048 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | GLY | 0 | 0.035 | 0.020 | 25.568 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | SER | 0 | -0.064 | -0.045 | 26.086 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | ILE | 0 | 0.042 | 0.023 | 28.220 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | GLU | -1 | -0.834 | -0.922 | 29.446 | -0.192 | -0.192 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | THR | 0 | -0.123 | -0.063 | 24.507 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | GLU | -1 | -0.759 | -0.875 | 23.361 | -0.387 | -0.387 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | ASP | -1 | -0.710 | -0.789 | 25.988 | -0.197 | -0.197 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | ALA | 0 | -0.037 | -0.017 | 25.189 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | ILE | 0 | 0.015 | 0.005 | 21.895 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | SER | 0 | 0.021 | -0.009 | 25.858 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | ARG | 1 | 0.805 | 0.894 | 29.490 | 0.191 | 0.191 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | ILE | 0 | -0.016 | 0.002 | 24.672 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | LEU | 0 | 0.035 | 0.027 | 27.186 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | SER | 0 | 0.009 | 0.000 | 29.097 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | ASN | 0 | -0.005 | -0.037 | 31.843 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | SER | 0 | -0.051 | -0.033 | 29.129 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | CYS | 0 | -0.040 | -0.008 | 30.901 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | GLU | -1 | -0.849 | -0.883 | 33.155 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | CYS | 0 | -0.018 | 0.001 | 35.636 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | THR | 0 | 0.024 | 0.026 | 36.285 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | VAL | 0 | -0.005 | 0.006 | 31.530 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | ILE | 0 | 0.015 | -0.002 | 34.434 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | SER | 0 | -0.004 | 0.021 | 30.233 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | VAL | 0 | 0.021 | 0.000 | 31.991 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | ASP | -1 | -0.798 | -0.900 | 31.643 | -0.223 | -0.223 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | TYR | 0 | -0.085 | -0.064 | 26.797 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | ARG | 1 | 0.736 | 0.837 | 32.625 | 0.133 | 0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | LEU | 0 | -0.025 | 0.003 | 28.618 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | ALA | 0 | 0.019 | 0.030 | 28.824 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | PRO | 0 | -0.024 | -0.045 | 29.771 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | GLU | -1 | -0.797 | -0.871 | 31.823 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | TYR | 0 | 0.024 | 0.001 | 33.920 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | LYS | 1 | 0.820 | 0.907 | 31.024 | 0.164 | 0.164 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | PHE | 0 | -0.037 | 0.015 | 30.453 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | PRO | 0 | -0.005 | -0.011 | 32.671 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | THR | 0 | -0.017 | -0.033 | 34.179 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | ALA | 0 | 0.033 | 0.021 | 30.752 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | VAL | 0 | 0.047 | 0.015 | 30.861 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | TYR | 0 | 0.034 | 0.012 | 33.085 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | ASP | -1 | -0.771 | -0.855 | 35.148 | -0.152 | -0.152 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | CYS | 0 | -0.056 | -0.026 | 31.998 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | PHE | 0 | 0.015 | 0.001 | 34.519 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | ASN | 0 | 0.036 | 0.001 | 36.825 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | ALA | 0 | 0.001 | 0.007 | 36.529 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | ILE | 0 | -0.002 | 0.004 | 34.548 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | VAL | 0 | -0.013 | -0.001 | 38.758 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | TRP | 0 | 0.041 | 0.014 | 41.294 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | ALA | 0 | 0.025 | 0.008 | 39.902 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | ARG | 1 | 0.859 | 0.890 | 41.904 | 0.119 | 0.119 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | ASP | -1 | -0.850 | -0.910 | 43.381 | -0.103 | -0.103 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | ASN | 0 | -0.041 | -0.022 | 44.939 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | ALA | 0 | 0.001 | 0.010 | 44.524 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | GLY | 0 | -0.002 | -0.004 | 45.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | GLU | -1 | -0.902 | -0.944 | 47.620 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | LEU | 0 | -0.069 | -0.025 | 41.602 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | GLY | 0 | 0.022 | 0.028 | 44.050 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | ILE | 0 | -0.112 | -0.059 | 40.619 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | ASP | -1 | -0.827 | -0.920 | 42.415 | -0.108 | -0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | LYS | 1 | 0.869 | 0.927 | 42.249 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | ASP | -1 | -0.850 | -0.896 | 41.585 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | LYS | 1 | 0.855 | 0.926 | 38.973 | 0.118 | 0.118 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | ILE | 0 | 0.046 | 0.035 | 36.826 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | ALA | 0 | -0.007 | 0.005 | 32.394 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | THR | 0 | -0.005 | -0.002 | 30.943 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | PHE | 0 | 0.026 | 0.007 | 23.675 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | GLY | 0 | 0.073 | 0.028 | 25.471 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | ILE | 0 | 0.026 | 0.025 | 19.391 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | SER | 0 | -0.019 | -0.018 | 18.301 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | ALA | 0 | -0.039 | -0.027 | 20.121 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | GLY | 0 | 0.075 | 0.052 | 23.154 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | GLY | 0 | 0.012 | 0.003 | 22.837 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | ASN | 0 | -0.077 | -0.050 | 23.300 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | LEU | 0 | 0.012 | 0.011 | 24.782 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | VAL | 0 | -0.008 | 0.013 | 26.610 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | ALA | 0 | 0.010 | 0.021 | 25.853 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | ALA | 0 | 0.005 | 0.001 | 27.956 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | THR | 0 | -0.016 | -0.029 | 30.369 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | SER | 0 | -0.032 | -0.028 | 30.606 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | LEU | 0 | -0.033 | -0.003 | 30.536 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | LEU | 0 | 0.019 | 0.021 | 33.862 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | ALA | 0 | -0.017 | -0.004 | 35.866 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | ARG | 1 | 0.825 | 0.912 | 34.204 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | ASP | -1 | -0.853 | -0.916 | 37.387 | -0.139 | -0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | ASN | 0 | -0.118 | -0.069 | 39.851 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | LYS | 1 | 0.891 | 0.941 | 41.540 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | LEU | 0 | -0.048 | -0.004 | 39.248 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | LYS | 1 | 0.784 | 0.874 | 38.981 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | LEU | 0 | 0.035 | 0.011 | 34.434 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | THR | 0 | -0.032 | -0.024 | 35.475 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | ALA | 0 | -0.014 | -0.010 | 30.909 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | GLN | 0 | 0.002 | 0.022 | 27.966 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | VAL | 0 | 0.008 | -0.011 | 24.248 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | PRO | 0 | -0.003 | 0.009 | 23.248 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | VAL | 0 | 0.035 | 0.000 | 18.767 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | VAL | 0 | -0.071 | -0.037 | 14.973 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | PRO | 0 | -0.001 | 0.018 | 17.569 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | PHE | 0 | -0.023 | -0.002 | 19.052 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | VAL | 0 | 0.020 | -0.010 | 20.021 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | TYR | 0 | 0.039 | 0.011 | 20.502 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | LEU | 0 | 0.039 | 0.034 | 20.333 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | ASP | -1 | -0.800 | -0.871 | 15.183 | -0.477 | -0.477 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | LEU | 0 | 0.000 | -0.003 | 17.331 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | ALA | 0 | -0.027 | -0.014 | 15.956 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | SER | 0 | -0.071 | -0.052 | 12.976 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | LYS | 1 | 0.929 | 0.942 | 8.605 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | SER | 0 | -0.009 | -0.009 | 8.092 | -0.086 | -0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | MET | 0 | -0.006 | 0.027 | 8.969 | -0.185 | -0.185 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | ASN | 0 | -0.053 | -0.052 | 10.699 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | ARG | 1 | 0.911 | 0.975 | 4.469 | 0.610 | 0.748 | -0.001 | -0.003 | -0.134 | 0.000 |
198 | A | 198 | TYR | 0 | 0.000 | 0.000 | 3.115 | -0.576 | 0.012 | 0.030 | -0.097 | -0.520 | 0.000 |
199 | A | 199 | ARG | 1 | 0.894 | 0.962 | 7.110 | 0.466 | 0.466 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | LYS | 1 | 0.783 | 0.882 | 8.775 | 0.786 | 0.786 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | GLY | 0 | 0.011 | 0.020 | 7.566 | -0.168 | -0.168 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | TYR | 0 | 0.000 | -0.006 | 2.548 | -3.721 | -2.554 | 1.469 | -0.741 | -1.895 | -0.010 |
203 | A | 203 | PHE | 0 | 0.028 | 0.017 | 8.261 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | LEU | 0 | -0.007 | 0.002 | 11.695 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | ASP | -1 | -0.776 | -0.872 | 11.939 | -0.944 | -0.944 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | ILE | 0 | 0.035 | 0.008 | 13.466 | 0.115 | 0.115 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | ASN | 0 | -0.015 | -0.008 | 14.526 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | LEU | 0 | 0.030 | 0.016 | 15.432 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | PRO | 0 | 0.005 | -0.004 | 18.887 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | VAL | 0 | 0.019 | -0.006 | 21.330 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | ASP | -1 | -0.808 | -0.890 | 18.893 | -0.367 | -0.367 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | TYR | 0 | 0.016 | 0.002 | 20.826 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | GLY | 0 | 0.048 | 0.019 | 21.637 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | VAL | 0 | 0.022 | 0.000 | 21.858 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | LYS | 1 | 0.889 | 0.954 | 24.252 | 0.221 | 0.221 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | MET | 0 | -0.025 | 0.001 | 26.096 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | TYR | 0 | 0.057 | 0.035 | 26.909 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | ILE | 0 | -0.003 | 0.004 | 27.452 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | ARG | 1 | 0.802 | 0.881 | 30.111 | 0.149 | 0.149 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | ASP | -1 | -0.795 | -0.891 | 32.541 | -0.123 | -0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | GLU | -1 | -0.830 | -0.927 | 30.237 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | LYS | 1 | 0.793 | 0.875 | 30.889 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | ASP | -1 | -0.740 | -0.847 | 30.911 | -0.162 | -0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | LEU | 0 | -0.055 | -0.020 | 25.620 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | TYR | 0 | 0.033 | 0.022 | 27.247 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | ASN | 0 | 0.037 | 0.029 | 29.704 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | PRO | 0 | 0.056 | 0.023 | 29.833 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | LEU | 0 | 0.009 | 0.003 | 29.703 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | PHE | 0 | -0.059 | -0.020 | 24.230 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | SER | 0 | -0.035 | -0.037 | 25.211 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | PRO | 0 | 0.048 | 0.027 | 25.302 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | LEU | 0 | -0.029 | -0.018 | 20.929 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | ILE | 0 | -0.053 | -0.031 | 25.077 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | ALA | 0 | -0.023 | 0.003 | 27.621 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | GLU | -1 | -0.928 | -0.959 | 30.116 | -0.134 | -0.134 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | ASP | -1 | -0.813 | -0.879 | 32.435 | -0.151 | -0.151 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | LEU | 0 | -0.044 | -0.014 | 27.263 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | SER | 0 | 0.013 | -0.015 | 31.444 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | ASN | 0 | -0.068 | -0.063 | 34.043 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | LEU | 0 | 0.009 | 0.028 | 30.483 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | PRO | 0 | -0.017 | -0.005 | 31.993 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | GLN | 0 | 0.032 | 0.022 | 31.229 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | ALA | 0 | 0.000 | -0.003 | 26.488 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | ILE | 0 | -0.026 | -0.010 | 23.687 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | VAL | 0 | 0.004 | 0.014 | 19.942 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | VAL | 0 | -0.013 | -0.003 | 17.216 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | THR | 0 | -0.042 | -0.034 | 13.953 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | ALA | 0 | 0.043 | 0.016 | 10.877 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | GLU | -1 | -0.832 | -0.909 | 5.695 | -2.349 | -2.349 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | TYR | 0 | -0.077 | -0.053 | 2.317 | -3.615 | -1.819 | 2.396 | -1.107 | -3.085 | -0.011 |
251 | A | 251 | ASP | -1 | -0.721 | -0.871 | 6.809 | -0.904 | -0.904 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | PRO | 0 | -0.022 | -0.011 | 9.832 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | LEU | 0 | 0.011 | -0.005 | 11.194 | 0.116 | 0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | ARG | 1 | 0.767 | 0.871 | 6.706 | 1.531 | 1.531 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | ASP | -1 | -0.715 | -0.858 | 11.367 | -0.780 | -0.780 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | GLN | 0 | 0.043 | 0.022 | 13.868 | 0.101 | 0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | GLY | 0 | 0.055 | 0.032 | 16.475 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | GLU | -1 | -0.734 | -0.832 | 13.841 | -0.744 | -0.744 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | ALA | 0 | -0.012 | 0.004 | 17.769 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | TYR | 0 | -0.011 | -0.022 | 19.750 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | ALA | 0 | 0.023 | 0.005 | 20.874 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | TYR | 0 | -0.066 | -0.053 | 21.494 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | ARG | 1 | 0.896 | 0.942 | 23.193 | 0.235 | 0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | LEU | 0 | -0.007 | 0.019 | 25.509 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | MET | 0 | -0.044 | -0.021 | 22.865 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | GLU | -1 | -0.880 | -0.916 | 27.203 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | SER | 0 | -0.063 | -0.036 | 28.959 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | GLY | 0 | 0.000 | -0.003 | 31.162 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | VAL | 0 | -0.021 | 0.000 | 30.083 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | PRO | 0 | -0.016 | -0.001 | 29.805 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | THR | 0 | 0.000 | -0.016 | 24.631 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | LEU | 0 | -0.018 | 0.006 | 23.398 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | SER | 0 | 0.039 | -0.003 | 19.029 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | PHE | 0 | -0.051 | -0.020 | 17.463 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | ARG | 1 | 0.833 | 0.894 | 9.945 | 0.911 | 0.911 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | VAL | 0 | -0.015 | -0.008 | 12.425 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | ASN | 0 | 0.050 | 0.005 | 9.481 | -0.244 | -0.244 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | GLY | 0 | 0.026 | 0.022 | 6.559 | 0.176 | 0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | ASN | 0 | -0.036 | -0.028 | 7.569 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | VAL | 0 | 0.017 | 0.013 | 6.732 | -0.299 | -0.299 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | HIS | 0 | 0.000 | -0.011 | 9.151 | 0.300 | 0.300 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | ALA | 0 | 0.012 | -0.003 | 12.549 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | PHE | 0 | -0.001 | -0.001 | 12.769 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | LEU | 0 | -0.009 | 0.014 | 13.074 | 0.064 | 0.064 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | GLY | 0 | 0.032 | -0.007 | 11.816 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | SER | 0 | -0.033 | -0.025 | 13.058 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | PRO | 0 | 0.027 | 0.013 | 14.788 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | ARG | 1 | 0.809 | 0.887 | 13.693 | 0.565 | 0.565 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | THR | 0 | 0.019 | -0.004 | 14.044 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | SER | 0 | 0.025 | 0.011 | 16.999 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | ARG | 1 | 0.841 | 0.903 | 18.520 | 0.283 | 0.283 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | GLN | 0 | 0.000 | -0.011 | 18.587 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | VAL | 0 | 0.004 | 0.002 | 17.217 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | THR | 0 | -0.013 | -0.013 | 20.503 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | VAL | 0 | -0.007 | -0.003 | 23.618 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | MET | 0 | -0.051 | -0.021 | 19.519 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | ILE | 0 | 0.007 | 0.005 | 21.835 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | GLY | 0 | 0.045 | 0.005 | 25.660 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | ALA | 0 | -0.001 | -0.001 | 28.274 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | LEU | 0 | -0.006 | -0.003 | 25.522 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | LEU | 0 | -0.007 | -0.002 | 29.058 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | LYS | 1 | 0.855 | 0.932 | 31.572 | 0.161 | 0.161 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | ASP | -1 | -0.854 | -0.913 | 32.760 | -0.143 | -0.143 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 304 | ILE | 0 | 0.007 | 0.008 | 31.187 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 305 | PHE | 0 | -0.016 | -0.016 | 34.156 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 306 | LYS | 1 | 0.736 | 0.873 | 36.213 | 0.159 | 0.159 | 0.000 | 0.000 | 0.000 | 0.000 |