FMODB ID: 5374Z
Calculation Name: 1VH4-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1VH4
Chain ID: A
UniProt ID: P77689
Base Structure: X-ray
Registration Date: 2023-06-20
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 | 413 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7416998.44986 |
---|---|
FMO2-HF: Nuclear repulsion | 7257311.952248 |
FMO2-HF: Total energy | -159686.497612 |
FMO2-MP2: Total energy | -160158.124669 |
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:9:ASN)
Summations of interaction energy for
fragment #1(A:9:ASN)
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. |
-6.503 | -1.763 | 2.569 | -2.839 | -4.468 | -0.015 |
Interaction energy analysis for fragmet #1(A:9:ASN)
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 | 11 | LEU | 0 | 0.025 | 0.012 | 3.441 | -1.585 | -0.029 | -0.003 | -0.568 | -0.984 | 0.002 |
4 | A | 12 | GLN | 0 | 0.044 | 0.019 | 2.468 | -3.707 | -1.900 | 2.457 | -1.791 | -2.473 | -0.016 |
5 | A | 13 | GLN | 0 | 0.016 | 0.007 | 2.893 | 0.779 | 1.861 | 0.117 | -0.427 | -0.772 | -0.001 |
6 | A | 14 | TRP | 0 | 0.020 | -0.002 | 5.816 | 0.607 | 0.607 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 15 | HIS | 0 | -0.038 | -0.028 | 7.653 | 0.257 | 0.257 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 16 | HIS | 0 | 0.029 | 0.007 | 6.841 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 17 | LEU | 0 | -0.023 | -0.008 | 9.883 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 18 | PHE | 0 | -0.022 | -0.005 | 12.059 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 19 | GLU | -1 | -0.861 | -0.923 | 13.314 | 0.289 | 0.289 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 20 | ALA | 0 | 0.030 | 0.059 | 14.136 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 21 | GLU | -1 | -0.758 | -0.877 | 15.932 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 22 | GLY | 0 | 0.012 | 0.001 | 19.731 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 23 | THR | 0 | -0.033 | -0.006 | 22.982 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 24 | LYS | 1 | 0.722 | 0.843 | 18.450 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 25 | ARG | 1 | 0.841 | 0.932 | 16.395 | 0.099 | 0.099 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 26 | SER | 0 | 0.036 | 0.016 | 21.385 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 27 | PRO | 0 | 0.005 | -0.013 | 21.955 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 28 | GLN | 0 | 0.093 | 0.043 | 22.426 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 29 | ALA | 0 | 0.036 | 0.029 | 19.237 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 30 | GLN | 0 | 0.019 | -0.002 | 16.978 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 31 | GLN | 0 | -0.032 | -0.020 | 17.904 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 32 | HIS | 0 | -0.002 | -0.012 | 17.410 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 33 | LEU | 0 | 0.027 | 0.027 | 11.242 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 34 | GLN | 0 | -0.021 | -0.011 | 13.409 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 35 | GLN | 0 | 0.038 | 0.020 | 14.646 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 36 | LEU | 0 | 0.011 | 0.019 | 10.045 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 37 | LEU | 0 | -0.042 | -0.024 | 8.521 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 38 | ARG | 1 | 0.840 | 0.931 | 10.634 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 39 | THR | 0 | -0.087 | -0.051 | 13.013 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 40 | GLY | 0 | 0.000 | 0.006 | 8.648 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 41 | LEU | 0 | -0.002 | -0.012 | 4.960 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 42 | PRO | 0 | -0.001 | 0.021 | 8.659 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 43 | THR | 0 | 0.029 | -0.004 | 10.593 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 44 | ARG | 1 | 0.879 | 0.922 | 12.511 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 45 | LYS | 1 | 0.950 | 0.962 | 15.574 | -0.200 | -0.200 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 46 | HIS | 0 | 0.020 | 0.030 | 15.282 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 47 | GLU | -1 | -0.804 | -0.901 | 17.296 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 48 | ASN | 0 | 0.004 | 0.017 | 19.099 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 49 | TRP | 0 | 0.047 | 0.002 | 15.029 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 50 | LYS | 1 | 0.882 | 0.957 | 16.948 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 51 | TYR | 0 | 0.017 | 0.004 | 19.412 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 52 | THR | 0 | -0.017 | -0.029 | 16.707 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 53 | PRO | 0 | -0.035 | 0.000 | 14.802 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 54 | LEU | 0 | 0.066 | 0.021 | 10.075 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 55 | GLU | -1 | -0.802 | -0.882 | 9.623 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 56 | GLY | 0 | 0.010 | 0.004 | 9.207 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 57 | LEU | 0 | -0.037 | 0.003 | 9.592 | -0.133 | -0.133 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 58 | ILE | 0 | 0.014 | -0.020 | 4.421 | -0.360 | -0.200 | 0.000 | -0.034 | -0.126 | 0.000 |
51 | A | 59 | ASN | 0 | -0.104 | -0.044 | 4.416 | 0.004 | 0.073 | -0.001 | -0.017 | -0.050 | 0.000 |
52 | A | 60 | SER | 0 | 0.023 | 0.016 | 5.557 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 61 | GLN | 0 | 0.009 | 0.016 | 5.049 | -1.836 | -1.770 | -0.001 | -0.002 | -0.063 | 0.000 |
54 | A | 62 | PHE | 0 | -0.003 | -0.003 | 5.961 | 0.468 | 0.468 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 63 | VAL | 0 | 0.013 | 0.019 | 8.926 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 64 | SER | 0 | 0.007 | -0.015 | 11.990 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 65 | ILE | 0 | -0.034 | -0.015 | 15.101 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 66 | ALA | 0 | 0.017 | 0.006 | 18.304 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 67 | GLY | 0 | -0.004 | 0.003 | 21.632 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 68 | GLU | -1 | -0.969 | -0.981 | 23.955 | -0.106 | -0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 69 | ILE | 0 | -0.030 | -0.021 | 26.309 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 70 | SER | 0 | 0.033 | 0.014 | 30.002 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 71 | PRO | 0 | 0.060 | 0.004 | 33.690 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 72 | GLN | 0 | 0.019 | 0.004 | 36.168 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 73 | GLN | 0 | 0.029 | 0.018 | 29.563 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 74 | ARG | 1 | 0.814 | 0.888 | 32.565 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 75 | ASP | -1 | -0.824 | -0.910 | 33.544 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 76 | ALA | 0 | -0.035 | -0.003 | 34.145 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 77 | LEU | 0 | -0.003 | 0.000 | 28.836 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 78 | ALA | 0 | -0.044 | -0.025 | 32.919 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 79 | LEU | 0 | -0.003 | 0.010 | 34.187 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 80 | THR | 0 | -0.034 | -0.022 | 36.888 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 81 | LEU | 0 | 0.009 | -0.011 | 38.899 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 82 | ASP | -1 | -0.836 | -0.880 | 41.505 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 83 | SER | 0 | -0.057 | -0.041 | 39.452 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 84 | VAL | 0 | 0.014 | 0.017 | 38.927 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 85 | ARG | 1 | 0.888 | 0.947 | 35.349 | 0.075 | 0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 86 | LEU | 0 | -0.013 | -0.003 | 33.081 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 87 | VAL | 0 | -0.005 | -0.012 | 30.299 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 88 | PHE | 0 | -0.034 | -0.023 | 26.300 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 89 | VAL | 0 | 0.024 | 0.007 | 25.035 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 90 | ASP | -1 | -0.768 | -0.871 | 20.645 | -0.247 | -0.247 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 91 | GLY | 0 | -0.008 | -0.005 | 20.849 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 92 | ARG | 1 | 0.777 | 0.863 | 20.657 | 0.169 | 0.169 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 93 | TYR | 0 | 0.054 | 0.023 | 24.938 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 94 | VAL | 0 | 0.031 | 0.011 | 28.418 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 95 | PRO | 0 | 0.047 | 0.021 | 30.823 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 96 | ALA | 0 | -0.023 | -0.004 | 34.168 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 97 | LEU | 0 | -0.048 | -0.019 | 31.284 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 98 | SER | 0 | -0.030 | -0.012 | 33.584 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 99 | ASP | -1 | -0.846 | -0.911 | 36.037 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 100 | ALA | 0 | -0.014 | -0.005 | 38.743 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 101 | THR | 0 | 0.043 | 0.009 | 37.255 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 102 | GLU | -1 | -0.936 | -0.947 | 40.665 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 103 | GLY | 0 | -0.002 | -0.006 | 43.492 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 104 | SER | 0 | -0.057 | -0.043 | 42.158 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 105 | GLY | 0 | -0.014 | -0.008 | 44.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 106 | TYR | 0 | -0.046 | -0.049 | 39.166 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 107 | GLU | -1 | -0.832 | -0.893 | 40.082 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 108 | VAL | 0 | -0.003 | -0.017 | 34.787 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 109 | SER | 0 | -0.046 | -0.015 | 35.251 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 110 | ILE | 0 | -0.005 | 0.005 | 29.774 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 111 | ASN | 0 | 0.011 | 0.004 | 30.278 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 112 | ASP | -1 | -0.728 | -0.855 | 24.317 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 113 | ASP | -1 | -0.876 | -0.903 | 27.070 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 114 | ARG | 1 | 0.793 | 0.840 | 21.312 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 115 | GLN | 0 | -0.095 | -0.066 | 28.435 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 116 | GLY | 0 | 0.007 | 0.014 | 30.878 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 117 | LEU | 0 | -0.072 | -0.023 | 26.300 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 118 | PRO | 0 | 0.011 | 0.014 | 29.320 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 119 | ASP | -1 | -0.927 | -0.962 | 26.678 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 120 | ALA | 0 | -0.073 | -0.045 | 23.222 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 121 | ILE | 0 | -0.026 | 0.009 | 25.178 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 122 | GLN | 0 | 0.020 | 0.007 | 21.215 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 123 | ALA | 0 | -0.024 | -0.007 | 19.775 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 124 | GLU | -1 | -0.821 | -0.916 | 16.527 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 125 | VAL | 0 | 0.006 | -0.009 | 11.776 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 126 | PHE | 0 | 0.018 | -0.009 | 11.232 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 127 | LEU | 0 | 0.014 | 0.036 | 14.744 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 128 | HIS | 0 | 0.020 | 0.010 | 14.658 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 129 | LEU | 0 | -0.007 | 0.006 | 10.845 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 130 | THR | 0 | 0.007 | -0.011 | 14.063 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 131 | GLU | -1 | -0.819 | -0.872 | 17.318 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 132 | SER | 0 | -0.080 | -0.028 | 14.744 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 133 | LEU | 0 | 0.004 | -0.016 | 12.026 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 134 | ALA | 0 | -0.003 | 0.021 | 16.611 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 135 | GLN | 0 | -0.028 | -0.016 | 19.846 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 136 | SER | 0 | -0.024 | -0.008 | 22.070 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 137 | VAL | 0 | -0.024 | -0.009 | 24.752 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 138 | THR | 0 | -0.014 | -0.034 | 27.281 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 139 | HIS | 0 | -0.039 | -0.009 | 30.223 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 140 | ILE | 0 | 0.005 | -0.006 | 32.531 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 141 | ALA | 0 | 0.031 | 0.025 | 35.509 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 142 | VAL | 0 | 0.014 | 0.020 | 38.653 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 143 | LYS | 1 | 0.825 | 0.883 | 41.798 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 144 | ARG | 1 | 0.880 | 0.900 | 44.717 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 145 | GLY | 0 | -0.021 | -0.002 | 46.926 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 146 | GLN | 0 | -0.121 | -0.045 | 46.073 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 147 | ARG | 1 | 0.879 | 0.917 | 46.024 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 148 | PRO | 0 | -0.023 | 0.002 | 42.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 149 | ALA | 0 | -0.009 | 0.008 | 45.679 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 150 | LYS | 1 | 0.835 | 0.906 | 43.676 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 151 | PRO | 0 | 0.025 | 0.027 | 39.657 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 152 | LEU | 0 | 0.020 | 0.018 | 35.400 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 153 | LEU | 0 | 0.002 | -0.002 | 33.960 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 154 | LEU | 0 | -0.006 | -0.005 | 30.230 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 155 | MET | 0 | -0.024 | 0.002 | 30.537 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 156 | HIS | 0 | -0.013 | -0.007 | 25.115 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 157 | ILE | 0 | 0.007 | 0.004 | 26.162 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 158 | THR | 0 | 0.028 | 0.025 | 19.490 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 159 | GLN | 0 | -0.049 | -0.030 | 21.376 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 160 | GLY | 0 | 0.024 | 0.015 | 17.884 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 161 | VAL | 0 | -0.015 | -0.009 | 15.429 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 162 | ALA | 0 | -0.005 | -0.006 | 18.042 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 163 | GLY | 0 | -0.010 | -0.003 | 16.541 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 164 | GLU | -1 | -0.924 | -0.978 | 12.185 | -0.767 | -0.767 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 165 | GLU | -1 | -1.006 | -0.997 | 10.978 | -0.944 | -0.944 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 166 | VAL | 0 | -0.040 | -0.029 | 10.474 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 167 | ASN | 0 | 0.017 | 0.010 | 11.913 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 168 | THR | 0 | -0.054 | -0.034 | 11.974 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 169 | ALA | 0 | 0.020 | 0.018 | 14.688 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 170 | HIS | 0 | 0.038 | 0.027 | 13.808 | 0.061 | 0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 171 | TYR | 0 | -0.019 | -0.023 | 18.799 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 172 | ARG | 1 | 0.813 | 0.874 | 22.482 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 173 | HIS | 0 | -0.012 | -0.002 | 24.384 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 174 | HIS | 0 | 0.080 | 0.051 | 27.976 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 175 | LEU | 0 | -0.038 | -0.006 | 30.501 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 176 | ASP | -1 | -0.867 | -0.923 | 33.983 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 177 | LEU | 0 | -0.012 | -0.006 | 36.755 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 178 | ALA | 0 | 0.073 | 0.025 | 39.861 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 179 | GLU | -1 | -0.793 | -0.881 | 42.664 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 180 | GLY | 0 | 0.033 | 0.013 | 45.481 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 181 | ALA | 0 | -0.069 | -0.009 | 43.092 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 182 | GLU | -1 | -0.837 | -0.918 | 43.576 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 183 | ALA | 0 | 0.008 | -0.006 | 40.096 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 184 | THR | 0 | -0.033 | -0.016 | 39.184 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 185 | VAL | 0 | -0.015 | 0.000 | 33.734 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 186 | ILE | 0 | -0.001 | -0.014 | 33.826 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 187 | GLU | -1 | -0.719 | -0.839 | 27.060 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 188 | HIS | 0 | 0.025 | 0.008 | 30.207 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 189 | PHE | 0 | -0.017 | 0.008 | 23.984 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 190 | VAL | 0 | 0.001 | 0.001 | 26.470 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 191 | SER | 0 | 0.046 | -0.013 | 22.388 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 192 | LEU | 0 | -0.048 | -0.018 | 24.287 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 193 | ASN | 0 | 0.009 | -0.008 | 23.263 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 194 | ASP | -1 | -0.887 | -0.949 | 23.865 | -0.230 | -0.230 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 195 | ALA | 0 | -0.036 | 0.006 | 19.421 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 196 | ARG | 1 | 0.877 | 0.943 | 11.027 | 0.752 | 0.752 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 197 | HIS | 0 | 0.030 | 0.045 | 15.662 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 198 | PHE | 0 | -0.037 | -0.036 | 11.342 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 199 | THR | 0 | -0.018 | -0.037 | 15.027 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 200 | GLY | 0 | 0.026 | 0.030 | 17.327 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 201 | ALA | 0 | -0.012 | -0.016 | 18.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 202 | ARG | 1 | 0.773 | 0.854 | 21.291 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 203 | PHE | 0 | -0.010 | -0.012 | 23.246 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 204 | THR | 0 | -0.014 | -0.005 | 26.081 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 205 | ILE | 0 | -0.031 | -0.022 | 28.711 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 206 | ASN | 0 | -0.044 | -0.023 | 32.473 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 207 | VAL | 0 | -0.033 | -0.023 | 35.120 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 208 | ALA | 0 | 0.041 | 0.022 | 38.359 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 209 | ALA | 0 | 0.072 | 0.032 | 41.280 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 210 | ASN | 0 | -0.066 | -0.047 | 44.500 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 211 | ALA | 0 | -0.051 | 0.011 | 41.901 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 212 | HIS | 0 | 0.018 | -0.001 | 42.479 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 213 | LEU | 0 | 0.022 | 0.009 | 34.836 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 214 | GLN | 0 | -0.058 | -0.020 | 38.825 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 215 | HIS | 0 | 0.013 | 0.018 | 30.067 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 216 | ILE | 0 | 0.021 | 0.011 | 34.292 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 217 | LYS | 1 | 0.824 | 0.935 | 24.401 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 218 | LEU | 0 | 0.014 | 0.002 | 30.598 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 219 | ALA | 0 | 0.026 | 0.014 | 25.049 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 220 | PHE | 0 | -0.018 | -0.025 | 27.013 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 221 | GLU | -1 | -0.744 | -0.843 | 21.999 | -0.202 | -0.202 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 222 | ASN | 0 | -0.015 | -0.031 | 21.073 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 223 | PRO | 0 | -0.004 | -0.033 | 22.415 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 224 | LEU | 0 | -0.011 | 0.000 | 18.396 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 225 | SER | 0 | 0.012 | 0.023 | 17.201 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 226 | HIS | 0 | -0.015 | 0.010 | 14.069 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 227 | HIS | 0 | -0.020 | -0.023 | 16.597 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 228 | PHE | 0 | -0.045 | -0.030 | 15.108 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 229 | ALA | 0 | 0.036 | 0.017 | 17.854 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 230 | HIS | 0 | -0.039 | -0.008 | 20.003 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 231 | ASN | 0 | -0.032 | -0.022 | 22.299 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 232 | ASP | -1 | -0.734 | -0.839 | 25.532 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 233 | LEU | 0 | -0.029 | -0.025 | 28.121 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 234 | LEU | 0 | 0.033 | 0.021 | 30.987 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 235 | LEU | 0 | -0.006 | -0.007 | 34.056 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 236 | ALA | 0 | 0.026 | 0.023 | 37.738 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 237 | GLU | -1 | -0.868 | -0.951 | 40.734 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 238 | ASP | -1 | -0.865 | -0.942 | 44.176 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 239 | ALA | 0 | -0.041 | 0.002 | 41.313 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 240 | THR | 0 | -0.001 | -0.028 | 42.107 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 241 | ALA | 0 | -0.001 | 0.006 | 36.866 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 242 | PHE | 0 | -0.031 | -0.018 | 38.079 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 243 | SER | 0 | -0.041 | -0.025 | 32.290 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 244 | HIS | 0 | 0.034 | 0.000 | 34.535 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 245 | SER | 0 | -0.004 | 0.000 | 29.242 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 246 | PHE | 0 | 0.007 | -0.006 | 31.140 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 247 | LEU | 0 | 0.001 | -0.003 | 25.628 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 248 | LEU | 0 | -0.013 | -0.011 | 27.996 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 249 | GLY | 0 | 0.054 | 0.009 | 25.272 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 250 | GLY | 0 | -0.016 | 0.019 | 21.051 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 251 | ALA | 0 | -0.031 | -0.010 | 17.972 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 252 | VAL | 0 | -0.046 | -0.033 | 16.191 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 253 | LEU | 0 | 0.007 | 0.017 | 18.443 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 254 | ARG | 1 | 0.821 | 0.893 | 17.113 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 255 | HIS | 0 | -0.011 | -0.011 | 20.110 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 256 | ASN | 0 | -0.023 | -0.020 | 19.477 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 257 | THR | 0 | 0.009 | 0.011 | 23.741 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 258 | SER | 0 | 0.027 | 0.010 | 24.720 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 259 | THR | 0 | -0.037 | -0.048 | 27.729 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 260 | GLN | 0 | 0.002 | 0.006 | 31.189 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 261 | LEU | 0 | -0.017 | -0.004 | 33.647 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 262 | ASN | 0 | 0.017 | -0.017 | 34.444 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 263 | GLY | 0 | 0.034 | 0.010 | 38.631 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 264 | GLU | -1 | -0.959 | -0.973 | 42.236 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 265 | ASN | 0 | -0.038 | -0.032 | 45.082 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 266 | SER | 0 | 0.023 | 0.016 | 41.588 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 267 | THR | 0 | -0.053 | -0.031 | 42.603 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 268 | LEU | 0 | 0.011 | 0.013 | 34.841 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 269 | ARG | 1 | 0.880 | 0.928 | 38.200 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 270 | ILE | 0 | 0.015 | 0.009 | 31.339 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 271 | ASN | 0 | 0.033 | 0.017 | 34.475 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 272 | SER | 0 | -0.036 | -0.032 | 29.913 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 273 | LEU | 0 | 0.026 | 0.018 | 31.723 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 274 | ALA | 0 | 0.024 | 0.011 | 27.890 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 275 | MET | 0 | -0.012 | -0.005 | 29.066 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 276 | PRO | 0 | 0.017 | 0.032 | 25.572 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 277 | VAL | 0 | 0.013 | -0.015 | 26.817 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 278 | LYS | 1 | 0.863 | 0.925 | 25.243 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 279 | ASN | 0 | 0.001 | -0.003 | 22.042 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 280 | GLU | -1 | -0.760 | -0.852 | 21.362 | -0.173 | -0.173 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 281 | VAL | 0 | -0.002 | -0.006 | 19.841 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 282 | CYS | 0 | -0.021 | -0.004 | 21.571 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 283 | ASP | -1 | -0.777 | -0.843 | 20.080 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 284 | THR | 0 | -0.005 | -0.013 | 22.981 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 285 | ARG | 1 | 0.818 | 0.867 | 21.114 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 286 | THR | 0 | -0.034 | -0.042 | 25.499 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 287 | TRP | 0 | -0.030 | -0.013 | 25.208 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 288 | LEU | 0 | -0.018 | -0.018 | 28.352 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 289 | GLU | -1 | -0.755 | -0.845 | 29.974 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 290 | HIS | 0 | 0.007 | -0.011 | 33.767 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 291 | ASN | 0 | -0.015 | -0.031 | 33.836 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 292 | LYS | 1 | 0.904 | 0.971 | 38.068 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 293 | GLY | 0 | 0.067 | 0.030 | 41.678 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 294 | PHE | 0 | -0.031 | -0.027 | 44.301 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 295 | CYS | 0 | -0.027 | 0.041 | 41.478 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 296 | ASN | 0 | -0.026 | -0.022 | 43.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 297 | SER | 0 | 0.021 | 0.016 | 37.705 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 298 | ARG | 1 | 0.791 | 0.879 | 39.144 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 299 | GLN | 0 | 0.101 | 0.069 | 32.527 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 300 | LEU | 0 | -0.060 | -0.013 | 36.013 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 301 | HIS | 0 | 0.034 | 0.043 | 31.508 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 302 | LYS | 1 | 0.853 | 0.943 | 33.600 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 303 | THR | 0 | -0.006 | -0.029 | 29.768 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 304 | ILE | 0 | 0.022 | 0.009 | 32.221 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 305 | VAL | 0 | -0.034 | 0.002 | 28.770 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 306 | SER | 0 | 0.024 | 0.013 | 30.496 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 307 | ASP | -1 | -0.857 | -0.956 | 30.169 | -0.100 | -0.100 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 308 | LYS | 1 | 0.904 | 0.958 | 26.090 | 0.139 | 0.139 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 309 | GLY | 0 | 0.024 | 0.049 | 25.469 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 310 | ARG | 1 | 0.804 | 0.868 | 20.159 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 311 | ALA | 0 | -0.010 | -0.002 | 24.757 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 312 | VAL | 0 | -0.031 | -0.021 | 22.053 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 313 | PHE | 0 | 0.017 | 0.003 | 25.202 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 314 | ASN | 0 | 0.003 | -0.017 | 24.650 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 315 | GLY | 0 | 0.051 | 0.034 | 26.594 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 316 | LEU | 0 | -0.037 | -0.004 | 27.149 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 317 | ILE | 0 | -0.015 | -0.020 | 29.844 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 318 | ASN | 0 | -0.043 | -0.026 | 32.133 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 319 | VAL | 0 | 0.017 | 0.007 | 34.164 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 320 | ALA | 0 | 0.069 | 0.036 | 37.347 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 321 | GLN | 0 | 0.045 | 0.009 | 38.576 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 322 | HIS | 0 | -0.041 | -0.029 | 41.610 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 323 | ALA | 0 | 0.008 | 0.041 | 41.278 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 324 | ILE | 0 | -0.020 | -0.006 | 43.330 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 325 | LYS | 1 | 0.779 | 0.852 | 46.413 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 326 | THR | 0 | 0.023 | 0.019 | 40.507 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 327 | ASP | -1 | -0.837 | -0.904 | 43.480 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 328 | GLY | 0 | 0.030 | 0.015 | 39.906 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 329 | GLN | 0 | -0.067 | -0.034 | 39.941 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 330 | MET | 0 | -0.016 | 0.016 | 32.627 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 331 | THR | 0 | 0.013 | 0.008 | 36.800 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 332 | ASN | 0 | 0.014 | 0.022 | 32.017 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 333 | ASN | 0 | -0.030 | -0.017 | 34.894 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 334 | ASN | 0 | 0.006 | 0.003 | 32.122 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 335 | LEU | 0 | 0.011 | 0.016 | 34.797 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 336 | LEU | 0 | -0.006 | -0.009 | 32.083 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 337 | MET | 0 | 0.006 | -0.016 | 34.357 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 338 | GLY | 0 | -0.015 | -0.007 | 34.476 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 339 | LYS | 1 | 0.915 | 0.951 | 34.318 | 0.076 | 0.076 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 340 | LEU | 0 | -0.039 | -0.024 | 29.521 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 341 | ALA | 0 | -0.032 | 0.010 | 29.180 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 342 | GLU | -1 | -0.842 | -0.893 | 25.066 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 343 | VAL | 0 | 0.001 | -0.020 | 28.085 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 344 | ASP | -1 | -0.896 | -0.935 | 25.231 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 345 | THR | 0 | -0.051 | -0.049 | 27.222 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 346 | LYS | 1 | 0.819 | 0.904 | 23.596 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 347 | PRO | 0 | 0.004 | 0.022 | 28.546 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 348 | GLN | 0 | -0.052 | -0.050 | 27.391 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 349 | LEU | 0 | -0.033 | -0.012 | 31.212 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 350 | GLU | -1 | -0.835 | -0.897 | 30.139 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 351 | ILE | 0 | -0.010 | -0.012 | 34.930 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 352 | TYR | 0 | -0.027 | -0.010 | 33.747 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 353 | ALA | 0 | -0.019 | -0.012 | 40.302 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 354 | ASP | -1 | -0.867 | -0.935 | 43.506 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 355 | ASP | -1 | -0.819 | -0.875 | 46.390 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 356 | VAL | 0 | -0.023 | -0.015 | 42.827 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 357 | LYS | 1 | 0.855 | 0.919 | 45.005 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 358 | CYS | 0 | -0.007 | 0.012 | 39.935 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 359 | SER | 0 | -0.006 | -0.009 | 40.762 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 360 | HIS | 0 | 0.050 | 0.010 | 33.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 361 | GLY | 0 | 0.002 | 0.012 | 37.866 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 362 | ALA | 0 | 0.006 | -0.004 | 34.628 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 363 | THR | 0 | -0.016 | -0.005 | 36.620 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 364 | VAL | 0 | 0.036 | 0.012 | 33.877 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 365 | GLY | 0 | 0.011 | 0.015 | 36.730 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 366 | ARG | 1 | 0.808 | 0.880 | 37.936 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 367 | ILE | 0 | 0.014 | 0.004 | 39.996 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 368 | ASP | -1 | -0.862 | -0.931 | 42.907 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 369 | ASP | -1 | -0.775 | -0.861 | 45.287 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 370 | GLU | -1 | -0.887 | -0.942 | 47.435 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 371 | GLN | 0 | 0.005 | 0.002 | 47.001 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 372 | ILE | 0 | 0.000 | -0.007 | 44.933 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 373 | PHE | 0 | -0.032 | -0.024 | 48.824 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 374 | TYR | 0 | 0.031 | 0.019 | 51.976 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 375 | LEU | 0 | 0.035 | 0.021 | 49.199 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 376 | ARG | 1 | 0.986 | 1.011 | 51.481 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 377 | SER | 0 | -0.152 | -0.081 | 53.257 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 378 | ARG | 1 | 0.881 | 0.927 | 55.888 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 379 | GLY | 0 | -0.011 | 0.013 | 56.279 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 380 | ILE | 0 | -0.014 | 0.000 | 50.159 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 381 | ASN | 0 | -0.043 | -0.034 | 47.987 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 382 | GLN | 0 | 0.048 | 0.009 | 43.163 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 383 | GLN | 0 | 0.037 | 0.030 | 42.416 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 384 | ASP | -1 | -0.807 | -0.898 | 44.199 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 385 | ALA | 0 | -0.041 | -0.022 | 46.527 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 386 | GLN | 0 | 0.006 | -0.022 | 41.251 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 387 | GLN | 0 | 0.000 | 0.001 | 41.019 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 388 | MET | 0 | -0.024 | -0.003 | 42.785 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 389 | ILE | 0 | -0.025 | -0.010 | 42.965 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 390 | ILE | 0 | 0.001 | -0.008 | 37.627 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 391 | TYR | 0 | -0.001 | -0.023 | 39.642 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 392 | ALA | 0 | -0.020 | -0.007 | 41.932 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 393 | PHE | 0 | -0.055 | -0.023 | 36.364 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 394 | ALA | 0 | 0.011 | -0.011 | 38.072 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 395 | ALA | 0 | 0.044 | 0.038 | 39.452 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 396 | GLU | -1 | -0.897 | -0.951 | 41.316 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 397 | LEU | 0 | -0.043 | -0.027 | 35.371 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 398 | THR | 0 | 0.036 | 0.002 | 38.405 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 399 | GLU | -1 | -0.877 | -0.938 | 40.253 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 400 | ALA | 0 | -0.053 | -0.011 | 39.875 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 401 | LEU | 0 | -0.067 | -0.028 | 37.539 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 402 | ARG | 1 | 0.915 | 0.944 | 41.635 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 403 | ASP | -1 | -0.843 | -0.912 | 42.656 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 404 | GLU | -1 | -0.762 | -0.877 | 43.459 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 405 | GLY | 0 | 0.036 | 0.018 | 44.196 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 406 | LEU | 0 | -0.013 | -0.010 | 37.071 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 407 | LYS | 1 | 0.813 | 0.902 | 39.442 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 408 | GLN | 0 | -0.034 | -0.031 | 40.447 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 409 | GLN | 0 | -0.035 | -0.019 | 37.449 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 410 | VAL | 0 | 0.002 | 0.009 | 35.207 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 411 | LEU | 0 | 0.000 | -0.004 | 36.416 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 412 | ALA | 0 | 0.014 | 0.021 | 37.995 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 413 | ARG | 1 | 0.795 | 0.909 | 27.441 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 414 | ILE | 0 | -0.012 | -0.022 | 33.717 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 415 | GLY | 0 | 0.047 | 0.024 | 35.299 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 416 | GLN | 0 | -0.040 | -0.024 | 32.200 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 417 | ARG | 1 | 0.753 | 0.856 | 26.225 | 0.123 | 0.123 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 418 | LEU | 0 | -0.030 | 0.013 | 33.399 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 419 | PRO | 0 | -0.001 | -0.014 | 36.850 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 420 | GLY | 0 | 0.012 | 0.011 | 38.061 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 421 | GLY | 0 | -0.030 | 0.003 | 36.431 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |