FMODB ID: 3J8QL
Calculation Name: 3A0F-A-Xray372
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 3A0F
Chain ID: A
UniProt ID: Q764N8
Base Structure: X-ray
Registration Date: 2023-09-23
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 | 752 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -18103254.021317 |
---|---|
FMO2-HF: Nuclear repulsion | 17823603.162647 |
FMO2-HF: Total energy | -279650.85867 |
FMO2-MP2: Total energy | -280478.011308 |
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:3:ALA)
Summations of interaction energy for
fragment #1(A:3:ALA)
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. |
-9.291 | -3.679 | 11.072 | -7.188 | -9.495 | -0.051 |
Interaction energy analysis for fragmet #1(A:3:ALA)
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 | 5 | LEU | 0 | -0.036 | -0.027 | 2.927 | -0.849 | 0.879 | 0.106 | -0.680 | -1.153 | 0.004 |
4 | A | 6 | LYS | 1 | 0.835 | 0.905 | 5.709 | 0.802 | 0.802 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 7 | PRO | 0 | 0.066 | 0.030 | 9.352 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 8 | VAL | 0 | -0.075 | -0.020 | 12.070 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 9 | THR | 0 | -0.051 | -0.050 | 14.187 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 10 | ILE | 0 | -0.087 | -0.055 | 17.290 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 11 | SER | 0 | -0.003 | -0.019 | 19.792 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 12 | GLY | 0 | -0.027 | -0.024 | 21.151 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 13 | GLY | 0 | -0.011 | -0.028 | 22.177 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 14 | GLY | 0 | 0.015 | 0.019 | 24.694 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 15 | PHE | 0 | -0.080 | -0.031 | 25.970 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 16 | ILE | 0 | 0.052 | 0.034 | 25.587 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 17 | SER | 0 | -0.021 | -0.017 | 28.413 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 18 | GLY | 0 | -0.020 | -0.023 | 29.501 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 19 | LEU | 0 | -0.027 | -0.019 | 28.741 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 20 | VAL | 0 | -0.027 | 0.000 | 30.252 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 21 | ALA | 0 | 0.038 | 0.019 | 30.751 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 22 | HIS | 0 | 0.039 | 0.015 | 32.149 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 23 | PRO | 0 | -0.041 | -0.019 | 34.016 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 24 | THR | 0 | -0.052 | -0.052 | 36.122 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 25 | GLU | -1 | -0.850 | -0.891 | 30.832 | -0.028 | -0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 26 | LYS | 1 | 0.855 | 0.908 | 32.628 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 27 | ASP | -1 | -0.826 | -0.907 | 28.973 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 28 | LEU | 0 | -0.050 | 0.003 | 27.346 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 29 | ILE | 0 | -0.002 | -0.015 | 28.002 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 30 | TYR | 0 | 0.037 | 0.011 | 24.231 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 31 | ALA | 0 | 0.021 | 0.020 | 24.816 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 32 | ARG | 1 | 0.792 | 0.894 | 24.729 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 33 | THR | 0 | 0.007 | 0.014 | 22.980 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 34 | ASP | -1 | -0.818 | -0.914 | 25.501 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 35 | ILE | 0 | 0.014 | 0.011 | 22.728 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 36 | GLY | 0 | 0.039 | 0.016 | 20.285 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 37 | GLY | 0 | -0.020 | 0.005 | 20.051 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 38 | THR | 0 | -0.012 | -0.016 | 21.041 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 39 | TYR | 0 | 0.018 | -0.003 | 17.907 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 40 | ARG | 1 | 0.833 | 0.907 | 18.237 | 0.157 | 0.157 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 41 | TRP | 0 | 0.022 | 0.012 | 21.891 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 42 | ASN | 0 | -0.037 | -0.022 | 20.224 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 43 | ALA | 0 | 0.036 | 0.010 | 23.538 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 44 | ALA | 0 | -0.042 | -0.019 | 24.030 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 45 | LYS | 1 | 0.758 | 0.860 | 16.937 | 0.136 | 0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 46 | TRP | 0 | -0.106 | -0.034 | 22.252 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 47 | GLU | -1 | -0.855 | -0.933 | 17.011 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 48 | TRP | 0 | -0.048 | -0.029 | 21.133 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 49 | GLU | -1 | -0.779 | -0.877 | 17.655 | -0.148 | -0.148 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 50 | PRO | 0 | 0.009 | 0.024 | 14.481 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 51 | ILE | 0 | -0.032 | -0.020 | 16.112 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 52 | THR | 0 | 0.026 | 0.010 | 17.840 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 53 | ASP | -1 | -0.741 | -0.845 | 12.365 | -0.455 | -0.455 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 54 | PHE | 0 | 0.008 | 0.011 | 13.182 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 55 | ILE | 0 | -0.036 | 0.000 | 14.555 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 56 | ILE | 0 | -0.036 | -0.006 | 14.178 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 57 | ASN | 0 | 0.026 | 0.009 | 17.203 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 58 | ASN | 0 | -0.118 | -0.080 | 19.773 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 59 | ALA | 0 | -0.001 | -0.002 | 19.340 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 60 | LEU | 0 | -0.011 | 0.002 | 17.407 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 61 | ALA | 0 | -0.052 | -0.025 | 20.125 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 62 | GLY | 0 | 0.005 | -0.013 | 21.815 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 63 | ASN | 0 | -0.022 | -0.001 | 24.946 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 64 | GLY | 0 | 0.017 | 0.022 | 23.548 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 65 | ALA | 0 | 0.007 | 0.007 | 23.935 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 66 | ASN | 0 | -0.031 | -0.006 | 23.208 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 67 | LEU | 0 | 0.020 | 0.001 | 21.933 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 68 | LEU | 0 | -0.001 | 0.005 | 17.295 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 69 | GLY | 0 | 0.051 | 0.056 | 21.262 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 70 | THR | 0 | -0.035 | -0.052 | 24.354 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 71 | GLU | -1 | -0.804 | -0.888 | 26.167 | -0.083 | -0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 72 | SER | 0 | -0.069 | -0.065 | 29.511 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 73 | ILE | 0 | 0.041 | 0.017 | 26.812 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 74 | ALA | 0 | -0.036 | -0.008 | 29.996 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 75 | LEU | 0 | 0.004 | -0.006 | 29.471 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 76 | ASP | -1 | -0.766 | -0.890 | 32.944 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 77 | PRO | 0 | -0.034 | -0.020 | 35.018 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 78 | HIS | 0 | -0.013 | -0.005 | 37.493 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 79 | ASN | 0 | -0.024 | -0.019 | 32.500 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 80 | PRO | 0 | 0.048 | 0.020 | 31.081 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 81 | ASP | -1 | -0.822 | -0.893 | 28.259 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 82 | ARG | 1 | 0.782 | 0.905 | 27.635 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 83 | LEU | 0 | -0.042 | -0.010 | 24.312 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 84 | TYR | 0 | 0.000 | 0.002 | 27.953 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 85 | LEU | 0 | 0.005 | 0.010 | 23.430 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 86 | ALA | 0 | -0.026 | -0.005 | 27.592 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 87 | GLN | 0 | 0.002 | -0.006 | 23.113 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 88 | GLY | 0 | 0.048 | 0.005 | 26.460 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 89 | ASP | -1 | -0.840 | -0.901 | 24.966 | -0.156 | -0.156 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 90 | TYR | 0 | -0.050 | -0.022 | 26.246 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 91 | VAL | 0 | -0.014 | -0.019 | 31.054 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 92 | GLN | 0 | -0.079 | -0.032 | 34.454 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 93 | TRP | 0 | -0.009 | -0.018 | 30.613 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 94 | ASP | -1 | -0.707 | -0.826 | 27.690 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 95 | PRO | 0 | -0.031 | -0.010 | 28.635 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 96 | TRP | 0 | -0.090 | -0.065 | 24.307 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 97 | ALA | 0 | 0.076 | 0.041 | 28.306 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 98 | ALA | 0 | -0.009 | -0.015 | 26.229 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 99 | PHE | 0 | 0.049 | 0.032 | 28.253 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 100 | LEU | 0 | -0.040 | -0.010 | 22.114 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 101 | VAL | 0 | 0.018 | 0.011 | 26.051 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 102 | SER | 0 | 0.015 | 0.022 | 23.498 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 103 | ASP | -1 | -0.824 | -0.905 | 25.749 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 104 | ASP | -1 | -0.784 | -0.876 | 21.713 | -0.080 | -0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 105 | ARG | 1 | 0.771 | 0.854 | 22.961 | 0.040 | 0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 106 | GLY | 0 | 0.055 | 0.010 | 22.133 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 107 | LYS | 1 | 0.791 | 0.907 | 18.442 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 108 | THR | 0 | -0.068 | -0.055 | 17.915 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 109 | PHE | 0 | 0.028 | 0.004 | 20.114 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 110 | LYS | 1 | 0.926 | 0.980 | 22.218 | 0.066 | 0.066 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 111 | GLN | 0 | 0.017 | -0.004 | 22.403 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 112 | TYR | 0 | -0.022 | -0.013 | 25.750 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 113 | ARG | 1 | 0.898 | 0.967 | 27.710 | 0.098 | 0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 114 | SER | 0 | 0.013 | -0.009 | 30.671 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 115 | PRO | 0 | -0.055 | -0.019 | 32.757 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 116 | VAL | 0 | -0.030 | -0.015 | 35.359 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 117 | PRO | 0 | 0.019 | 0.027 | 33.361 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 118 | MET | 0 | -0.070 | -0.034 | 30.656 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 119 | GLY | 0 | 0.051 | -0.003 | 31.601 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 120 | ALA | 0 | -0.035 | -0.005 | 27.617 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 121 | ASN | 0 | -0.004 | -0.021 | 27.625 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 122 | ASP | -1 | -0.830 | -0.903 | 29.715 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 123 | MET | 0 | -0.026 | -0.011 | 33.534 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 124 | GLY | 0 | 0.021 | 0.006 | 36.625 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 125 | ARG | 1 | 0.723 | 0.877 | 30.361 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 126 | ASN | 0 | 0.018 | -0.005 | 33.467 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 127 | GLY | 0 | 0.029 | 0.008 | 35.192 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 128 | GLY | 0 | 0.026 | 0.017 | 35.531 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 129 | GLU | -1 | -0.827 | -0.870 | 32.891 | -0.081 | -0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 130 | ARG | 1 | 0.865 | 0.951 | 34.621 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 131 | LEU | 0 | -0.021 | -0.008 | 31.601 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 132 | ALA | 0 | 0.009 | 0.013 | 35.433 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 133 | VAL | 0 | 0.009 | 0.004 | 35.061 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 134 | ASN | 0 | -0.004 | -0.011 | 37.918 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 135 | PRO | 0 | 0.001 | -0.013 | 40.951 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 136 | HIS | 0 | -0.043 | -0.039 | 41.976 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 137 | TRP | 0 | -0.045 | -0.043 | 42.242 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 138 | THR | 0 | 0.003 | 0.009 | 37.703 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 139 | ASP | -1 | -0.892 | -0.937 | 37.464 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 140 | GLU | -1 | -0.807 | -0.881 | 38.442 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 141 | LEU | 0 | -0.045 | -0.017 | 34.227 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 142 | TRP | 0 | -0.064 | -0.052 | 38.450 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 143 | PHE | 0 | 0.058 | 0.004 | 33.695 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 144 | GLY | 0 | 0.009 | -0.010 | 37.854 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 145 | SER | 0 | -0.046 | -0.024 | 37.509 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 146 | ARG | 1 | 0.840 | 0.903 | 33.901 | 0.087 | 0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 147 | THR | 0 | 0.001 | -0.002 | 38.732 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 148 | GLN | 0 | -0.041 | -0.016 | 40.007 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 149 | GLY | 0 | 0.077 | 0.049 | 42.649 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 150 | LEU | 0 | -0.015 | 0.018 | 41.600 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 151 | TRP | 0 | -0.015 | -0.016 | 39.223 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 152 | ARG | 1 | 0.883 | 0.924 | 40.603 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 153 | SER | 0 | 0.013 | 0.027 | 37.367 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 154 | THR | 0 | 0.017 | 0.000 | 39.338 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 155 | ASP | -1 | -0.805 | -0.857 | 37.202 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 156 | ARG | 1 | 0.843 | 0.883 | 30.428 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 157 | ALA | 0 | 0.003 | -0.001 | 32.347 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 158 | GLN | 0 | -0.074 | -0.010 | 32.111 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 159 | THR | 0 | -0.075 | -0.073 | 33.900 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 160 | TRP | 0 | 0.007 | -0.016 | 33.918 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 161 | SER | 0 | -0.043 | -0.020 | 39.017 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 162 | ARG | 1 | 0.946 | 0.997 | 42.518 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 163 | MET | 0 | -0.033 | -0.001 | 44.191 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 164 | ASN | 0 | -0.035 | -0.038 | 46.659 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 165 | GLN | 0 | -0.024 | -0.008 | 49.128 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 166 | LEU | 0 | -0.008 | 0.011 | 46.232 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 167 | PRO | 0 | -0.044 | -0.020 | 49.087 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 168 | ASP | -1 | -0.812 | -0.895 | 45.106 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 169 | SER | 0 | -0.052 | -0.029 | 48.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 170 | SER | 0 | -0.102 | -0.059 | 44.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 171 | THR | 0 | 0.020 | 0.009 | 44.014 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 172 | TYR | 0 | 0.022 | 0.010 | 41.811 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 173 | GLY | 0 | 0.005 | 0.003 | 39.575 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 174 | ILE | 0 | -0.020 | -0.014 | 38.612 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 175 | GLY | 0 | 0.051 | 0.029 | 39.713 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 176 | ILE | 0 | -0.037 | -0.018 | 41.566 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 177 | ILE | 0 | -0.023 | -0.010 | 38.827 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 178 | SER | 0 | -0.045 | -0.026 | 38.684 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 179 | VAL | 0 | -0.001 | 0.005 | 39.627 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 180 | ILE | 0 | -0.039 | -0.014 | 40.263 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 181 | PHE | 0 | 0.058 | 0.015 | 40.602 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 182 | ASP | -1 | -0.784 | -0.886 | 44.060 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 183 | PRO | 0 | -0.041 | -0.005 | 43.877 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 184 | LYS | 1 | 0.904 | 0.959 | 45.751 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 185 | ASN | 0 | -0.076 | -0.056 | 49.458 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 186 | VAL | 0 | 0.062 | 0.016 | 49.201 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 187 | GLY | 0 | -0.001 | 0.006 | 49.068 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 188 | THR | 0 | -0.013 | -0.003 | 50.084 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 189 | ALA | 0 | -0.039 | -0.014 | 45.779 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 190 | TYR | 0 | 0.019 | 0.005 | 46.233 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 191 | VAL | 0 | 0.013 | 0.018 | 43.695 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 192 | ALA | 0 | -0.013 | -0.017 | 44.036 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 193 | SER | 0 | 0.015 | -0.001 | 44.059 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 194 | HIS | 0 | 0.056 | 0.020 | 43.464 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 195 | ALA | 0 | 0.033 | -0.001 | 45.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 196 | VAL | 0 | 0.009 | 0.006 | 49.297 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 197 | GLY | 0 | 0.009 | 0.011 | 52.642 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 198 | GLY | 0 | -0.015 | 0.022 | 49.397 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 199 | LEU | 0 | -0.004 | -0.005 | 48.260 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 200 | TRP | 0 | 0.039 | 0.020 | 49.106 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 201 | VAL | 0 | -0.010 | -0.007 | 49.509 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 202 | THR | 0 | -0.028 | -0.017 | 48.874 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 203 | TRP | 0 | 0.020 | -0.010 | 51.577 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 204 | ASP | -1 | -0.856 | -0.908 | 52.805 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 205 | GLY | 0 | 0.006 | -0.008 | 49.293 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 206 | GLY | 0 | -0.002 | -0.001 | 48.207 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 207 | ALA | 0 | -0.049 | -0.011 | 49.237 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 208 | ASN | 0 | -0.027 | -0.026 | 52.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 209 | TRP | 0 | -0.001 | 0.007 | 46.666 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 210 | SER | 0 | -0.021 | -0.007 | 53.346 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 211 | GLN | 0 | -0.016 | -0.018 | 53.818 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 212 | VAL | 0 | -0.001 | 0.005 | 52.294 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 213 | GLY | 0 | 0.028 | 0.015 | 55.168 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 214 | GLY | 0 | -0.005 | -0.019 | 58.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 215 | GLN | 0 | -0.038 | -0.008 | 52.952 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 216 | PRO | 0 | 0.016 | 0.017 | 53.671 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 217 | THR | 0 | -0.008 | -0.013 | 54.820 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 218 | GLN | 0 | 0.020 | 0.004 | 56.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 219 | TRP | 0 | -0.011 | -0.003 | 49.925 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 220 | SER | 0 | -0.019 | -0.038 | 56.222 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 221 | ASP | -1 | -0.824 | -0.926 | 58.450 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 222 | TRP | 0 | -0.015 | 0.015 | 52.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 223 | THR | 0 | 0.064 | 0.010 | 54.039 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 224 | LYS | 1 | 0.830 | 0.916 | 56.482 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 225 | SER | 0 | -0.076 | -0.052 | 59.299 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 226 | ILE | 0 | 0.007 | 0.004 | 54.165 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 227 | VAL | 0 | 0.007 | 0.032 | 55.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 228 | ALA | 0 | -0.057 | -0.009 | 57.294 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 229 | ALA | 0 | -0.049 | -0.026 | 59.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 230 | SER | 0 | -0.014 | -0.022 | 55.321 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 231 | GLY | 0 | -0.037 | -0.001 | 57.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 232 | THR | 0 | -0.037 | -0.009 | 53.043 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 233 | ALA | 0 | 0.038 | 0.026 | 55.031 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 234 | ILE | 0 | 0.015 | 0.013 | 52.382 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 235 | GLN | 0 | -0.100 | -0.057 | 46.656 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 236 | SER | 0 | 0.009 | -0.011 | 50.416 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 237 | SER | 0 | -0.004 | -0.009 | 52.477 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 238 | GLY | 0 | 0.026 | 0.002 | 53.812 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 239 | PRO | 0 | -0.025 | 0.011 | 51.101 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 240 | LEU | 0 | -0.006 | 0.007 | 47.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 241 | PRO | 0 | -0.073 | -0.019 | 45.571 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 242 | ILE | 0 | 0.004 | 0.024 | 40.247 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 243 | LYS | 1 | 0.939 | 0.963 | 36.978 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 244 | ILE | 0 | 0.008 | -0.004 | 41.898 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 245 | ALA | 0 | -0.006 | -0.010 | 41.874 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 246 | LEU | 0 | 0.020 | 0.018 | 43.693 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 247 | GLY | 0 | 0.036 | 0.014 | 44.718 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 248 | LYS | 1 | 0.959 | 0.965 | 42.189 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 249 | ASN | 0 | -0.054 | -0.036 | 47.338 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 250 | GLY | 0 | -0.011 | 0.000 | 49.586 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 251 | ARG | 1 | 0.778 | 0.910 | 50.266 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 252 | LEU | 0 | 0.025 | 0.025 | 47.185 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 253 | TYR | 0 | 0.025 | -0.006 | 46.008 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 254 | ILE | 0 | 0.007 | -0.004 | 46.117 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 255 | THR | 0 | -0.028 | -0.012 | 42.576 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 256 | TYR | 0 | 0.017 | -0.019 | 45.471 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 257 | SER | 0 | 0.044 | 0.007 | 44.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 258 | ASP | -1 | -0.717 | -0.864 | 46.678 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 259 | ALA | 0 | 0.029 | 0.020 | 44.340 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 260 | PRO | 0 | -0.009 | -0.009 | 40.267 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 261 | GLY | 0 | 0.071 | 0.063 | 39.597 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 262 | PRO | 0 | -0.026 | -0.023 | 34.199 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 263 | TRP | 0 | 0.052 | 0.015 | 36.073 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 264 | GLY | 0 | 0.004 | -0.006 | 39.186 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 265 | VAL | 0 | -0.056 | -0.003 | 42.555 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 266 | LEU | 0 | -0.030 | -0.015 | 44.601 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 267 | TYR | 0 | -0.066 | -0.058 | 47.901 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 268 | GLY | 0 | 0.073 | 0.006 | 47.904 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 269 | GLU | -1 | -0.827 | -0.836 | 49.059 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 270 | VAL | 0 | 0.047 | 0.018 | 47.130 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 271 | TRP | 0 | -0.037 | -0.038 | 49.523 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 272 | SER | 0 | 0.005 | 0.008 | 50.027 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 273 | TYR | 0 | 0.024 | -0.002 | 52.053 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 274 | ASP | -1 | -0.775 | -0.892 | 53.025 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 275 | PRO | 0 | 0.001 | -0.010 | 52.418 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 276 | THR | 0 | -0.036 | -0.004 | 55.594 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 277 | ASN | 0 | -0.041 | -0.035 | 58.370 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 278 | GLY | 0 | 0.032 | 0.028 | 58.724 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 279 | ASN | 0 | -0.106 | -0.044 | 59.239 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 280 | TRP | 0 | 0.027 | 0.020 | 52.340 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 281 | LYS | 1 | 0.886 | 0.942 | 55.776 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 282 | HIS | 0 | 0.045 | 0.046 | 53.894 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 283 | ILE | 0 | -0.030 | -0.021 | 50.377 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 284 | THR | 0 | 0.002 | 0.000 | 50.232 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 285 | PRO | 0 | 0.032 | 0.039 | 47.728 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 286 | SER | 0 | 0.035 | 0.021 | 50.096 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 287 | ARG | 1 | 0.850 | 0.952 | 52.011 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 288 | GLU | -1 | -0.846 | -0.903 | 55.215 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 289 | GLY | 0 | 0.022 | -0.011 | 58.570 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 290 | ALA | 0 | -0.053 | -0.042 | 56.761 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 291 | ASN | 0 | -0.067 | -0.016 | 55.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 292 | THR | 0 | 0.038 | 0.006 | 51.117 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 293 | TYR | 0 | -0.022 | 0.015 | 51.849 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 294 | PRO | 0 | 0.037 | -0.005 | 49.832 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 295 | ALA | 0 | 0.011 | 0.012 | 52.601 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 296 | PRO | 0 | 0.031 | 0.012 | 52.578 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 297 | THR | 0 | -0.063 | -0.064 | 51.384 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 298 | GLY | 0 | 0.013 | 0.012 | 54.296 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 299 | ASN | 0 | -0.009 | -0.008 | 54.294 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 300 | LYS | 1 | 0.851 | 0.898 | 55.205 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 301 | LYS | 1 | 0.871 | 0.917 | 56.956 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 302 | VAL | 0 | -0.028 | 0.001 | 50.611 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 303 | VAL | 0 | 0.002 | 0.006 | 48.672 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 304 | PRO | 0 | -0.031 | -0.020 | 49.840 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 305 | GLY | 0 | 0.060 | 0.039 | 46.023 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 306 | GLY | 0 | -0.005 | -0.013 | 45.057 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 307 | TRP | 0 | -0.049 | -0.032 | 44.028 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 308 | ASN | 0 | 0.011 | -0.010 | 37.440 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 309 | GLY | 0 | 0.049 | 0.051 | 38.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 310 | ILE | 0 | -0.042 | -0.037 | 39.393 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 311 | SER | 0 | -0.011 | 0.018 | 38.185 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 312 | VAL | 0 | 0.002 | 0.001 | 40.337 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 313 | GLY | 0 | 0.048 | 0.015 | 41.534 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 314 | ASN | 0 | -0.034 | -0.015 | 43.451 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 315 | GLY | 0 | 0.005 | 0.013 | 46.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 316 | ASP | -1 | -0.825 | -0.910 | 49.534 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 317 | THR | 0 | -0.049 | -0.024 | 44.676 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 318 | VAL | 0 | -0.053 | -0.012 | 44.729 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 319 | VAL | 0 | -0.014 | 0.003 | 40.294 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 320 | VAL | 0 | 0.007 | -0.010 | 42.495 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 321 | SER | 0 | -0.020 | -0.033 | 38.905 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 322 | THR | 0 | -0.018 | -0.011 | 41.829 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 323 | LEU | 0 | -0.040 | -0.027 | 38.774 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 324 | ASP | -1 | -0.770 | -0.897 | 40.116 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 325 | ALA | 0 | -0.013 | 0.004 | 42.190 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 326 | ASN | 0 | -0.063 | -0.038 | 40.114 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 327 | GLY | 0 | -0.003 | -0.002 | 42.835 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 328 | GLU | -1 | -0.775 | -0.850 | 44.744 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 329 | ASP | -1 | -0.824 | -0.873 | 40.515 | -0.057 | -0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 330 | SER | 0 | -0.024 | -0.037 | 42.016 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 331 | VAL | 0 | 0.010 | 0.006 | 38.713 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 332 | TYR | 0 | -0.030 | -0.034 | 42.128 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 333 | LEU | 0 | 0.026 | 0.003 | 43.770 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 334 | SER | 0 | 0.019 | 0.017 | 46.153 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 335 | ARG | 1 | 0.795 | 0.856 | 45.263 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 336 | ASP | -1 | -0.816 | -0.900 | 50.378 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 337 | ALA | 0 | -0.012 | 0.007 | 50.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 338 | GLY | 0 | 0.004 | -0.009 | 51.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 339 | ASN | 0 | -0.069 | -0.028 | 51.973 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 340 | SER | 0 | -0.041 | -0.046 | 53.641 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 341 | TRP | 0 | 0.002 | -0.002 | 46.471 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 342 | LYS | 1 | 0.856 | 0.931 | 47.641 | 0.026 | 0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 343 | ASP | -1 | -0.766 | -0.873 | 46.546 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 344 | LEU | 0 | -0.015 | -0.027 | 41.636 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 345 | GLY | 0 | 0.067 | 0.046 | 42.689 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 346 | LYS | 1 | 0.833 | 0.901 | 43.689 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 347 | LEU | 0 | -0.087 | -0.036 | 45.836 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 348 | THR | 0 | -0.041 | -0.023 | 40.802 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 349 | THR | 0 | -0.022 | 0.004 | 43.549 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 350 | PRO | 0 | -0.048 | -0.011 | 43.248 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 351 | ALA | 0 | -0.006 | -0.018 | 46.213 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 352 | GLY | 0 | -0.034 | -0.014 | 48.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 353 | ALA | 0 | 0.021 | 0.023 | 45.048 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 354 | GLY | 0 | -0.038 | -0.025 | 47.144 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 355 | GLY | 0 | 0.006 | 0.008 | 44.420 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 356 | ASN | 0 | 0.011 | -0.008 | 42.938 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 357 | SER | 0 | -0.024 | -0.029 | 40.499 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 358 | GLN | 0 | 0.008 | 0.004 | 36.479 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 359 | LYS | 1 | 0.871 | 0.924 | 38.982 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 360 | GLU | -1 | -0.709 | -0.833 | 34.857 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 361 | SER | 0 | -0.077 | -0.047 | 34.661 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 362 | ASP | -1 | -0.790 | -0.897 | 35.127 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 363 | ALA | 0 | -0.006 | 0.017 | 32.036 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 364 | LYS | 1 | 0.847 | 0.910 | 28.975 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 365 | LEU | 0 | 0.045 | 0.044 | 23.310 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 366 | ARG | 1 | 0.884 | 0.945 | 27.775 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 367 | ASN | 0 | -0.032 | -0.016 | 24.002 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 368 | GLY | 0 | -0.001 | -0.008 | 28.248 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 369 | THR | 0 | 0.013 | 0.005 | 23.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 370 | PRO | 0 | -0.043 | -0.015 | 26.782 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 371 | LEU | 0 | 0.082 | 0.041 | 25.076 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 372 | PRO | 0 | -0.061 | -0.036 | 26.097 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 373 | TRP | 0 | 0.009 | -0.008 | 23.951 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 374 | LEU | 0 | 0.003 | 0.026 | 28.344 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 375 | SER | 0 | -0.055 | -0.043 | 30.475 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 376 | PHE | 0 | -0.036 | -0.018 | 30.616 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 377 | GLN | 0 | 0.029 | 0.014 | 32.932 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 378 | ASN | 0 | -0.073 | -0.023 | 35.712 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 379 | ARG | 1 | 0.896 | 0.938 | 31.461 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 380 | GLY | 0 | -0.026 | -0.019 | 35.504 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 381 | SER | 0 | -0.040 | -0.024 | 38.028 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 382 | GLY | 0 | 0.007 | 0.006 | 39.073 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 383 | ILE | 0 | -0.057 | -0.037 | 39.702 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 384 | VAL | 0 | 0.025 | 0.019 | 34.229 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 385 | GLY | 0 | 0.036 | 0.020 | 36.949 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 386 | PHE | 0 | -0.003 | 0.003 | 36.900 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 387 | GLY | 0 | 0.014 | 0.008 | 35.594 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 388 | TRP | 0 | 0.021 | 0.007 | 31.827 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 389 | TRP | 0 | 0.058 | 0.010 | 31.601 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 390 | LEU | 0 | 0.000 | 0.042 | 34.716 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 391 | ALA | 0 | -0.027 | -0.007 | 34.232 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 392 | ALA | 0 | 0.005 | 0.018 | 32.112 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 393 | ILE | 0 | -0.012 | -0.005 | 34.023 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 394 | LEU | 0 | -0.034 | -0.021 | 32.973 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 395 | LEU | 0 | 0.020 | 0.013 | 35.790 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 396 | ASP | -1 | -0.798 | -0.872 | 34.503 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 397 | PRO | 0 | -0.046 | -0.021 | 35.573 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 398 | PHE | 0 | -0.058 | -0.028 | 35.755 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 399 | SER | 0 | -0.095 | -0.087 | 35.583 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 400 | ASP | -1 | -0.766 | -0.844 | 38.365 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 401 | ARG | 1 | 0.889 | 0.942 | 29.828 | 0.060 | 0.060 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 402 | LEU | 0 | -0.056 | -0.020 | 36.399 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 403 | LEU | 0 | -0.001 | 0.001 | 29.898 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 404 | TYR | 0 | -0.046 | -0.047 | 33.405 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 405 | GLY | 0 | 0.026 | 0.021 | 31.107 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 406 | THR | 0 | -0.006 | -0.004 | 30.843 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 407 | GLY | 0 | 0.015 | 0.003 | 30.694 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 408 | ALA | 0 | -0.003 | 0.008 | 28.030 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 409 | VAL | 0 | 0.008 | 0.000 | 26.882 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 410 | ILE | 0 | 0.013 | 0.014 | 26.501 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 411 | TRP | 0 | 0.016 | 0.020 | 29.420 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 412 | ALA | 0 | 0.012 | -0.005 | 31.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 413 | THR | 0 | -0.034 | -0.029 | 33.348 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 414 | ASP | -1 | -0.779 | -0.877 | 33.785 | -0.045 | -0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 415 | ALA | 0 | -0.017 | -0.012 | 36.493 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 416 | VAL | 0 | -0.003 | -0.001 | 40.157 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 417 | SER | 0 | 0.006 | -0.044 | 41.628 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 418 | ARG | 1 | 0.863 | 0.950 | 43.560 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 419 | ALA | 0 | 0.036 | 0.023 | 45.127 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 420 | ASP | -1 | -0.829 | -0.904 | 46.892 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 421 | SER | 0 | -0.095 | -0.040 | 49.350 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 422 | ASN | 0 | -0.041 | -0.023 | 50.632 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 423 | GLN | 0 | 0.004 | 0.007 | 47.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 424 | ALA | 0 | 0.058 | 0.036 | 43.597 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 425 | PRO | 0 | -0.001 | -0.003 | 40.267 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 426 | SER | 0 | -0.023 | 0.004 | 38.814 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 427 | TRP | 0 | 0.017 | 0.001 | 35.647 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 428 | TYR | 0 | -0.037 | -0.030 | 30.093 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 429 | ILE | 0 | 0.005 | 0.007 | 27.297 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 430 | ASN | 0 | -0.056 | -0.041 | 26.323 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 431 | THR | 0 | 0.066 | 0.017 | 23.580 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 432 | GLU | -1 | -0.744 | -0.859 | 21.449 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 433 | GLY | 0 | 0.029 | 0.011 | 17.570 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 434 | ILE | 0 | -0.033 | -0.012 | 17.436 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 435 | GLU | -1 | -0.768 | -0.864 | 15.836 | -0.239 | -0.239 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 436 | GLU | -1 | -0.851 | -0.954 | 18.325 | -0.182 | -0.182 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 437 | THR | 0 | 0.028 | 0.027 | 19.914 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 438 | ALA | 0 | 0.027 | 0.035 | 19.747 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 439 | ILE | 0 | -0.100 | -0.001 | 17.280 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 440 | LEU | 0 | -0.026 | -0.022 | 20.376 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 441 | VAL | 0 | -0.042 | -0.021 | 20.303 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 442 | LEU | 0 | -0.005 | 0.002 | 14.141 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 443 | LYS | 1 | 0.858 | 0.918 | 18.021 | 0.132 | 0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 444 | SER | 0 | 0.035 | 0.011 | 15.559 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 445 | PRO | 0 | 0.004 | 0.005 | 17.660 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 446 | PRO | 0 | 0.020 | 0.009 | 19.548 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 447 | ALA | 0 | -0.045 | -0.027 | 20.872 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 448 | GLY | 0 | 0.044 | 0.023 | 22.526 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 449 | PRO | 0 | -0.014 | -0.009 | 22.204 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 450 | ALA | 0 | 0.053 | 0.033 | 19.835 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 451 | HIS | 0 | -0.052 | -0.040 | 14.743 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 452 | LEU | 0 | -0.017 | 0.011 | 13.821 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 453 | PHE | 0 | -0.008 | 0.003 | 17.315 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 454 | SER | 0 | 0.028 | -0.007 | 18.683 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 455 | GLY | 0 | 0.039 | 0.030 | 20.427 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 456 | MET | 0 | -0.028 | -0.010 | 20.319 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 457 | TYR | 0 | 0.041 | 0.002 | 23.605 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 458 | ASP | -1 | -0.883 | -0.932 | 26.022 | -0.132 | -0.132 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 459 | LEU | 0 | 0.001 | -0.011 | 24.524 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 460 | GLY | 0 | 0.013 | 0.012 | 27.143 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 461 | GLY | 0 | -0.023 | -0.020 | 23.325 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 462 | MET | 0 | 0.006 | -0.006 | 21.072 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 463 | ARG | 1 | 0.739 | 0.823 | 21.593 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 464 | HIS | 0 | 0.034 | 0.019 | 17.595 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 465 | ASP | -1 | -0.808 | -0.871 | 18.559 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 466 | ASP | -1 | -0.842 | -0.909 | 18.327 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 467 | PHE | 0 | -0.024 | -0.014 | 11.745 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 468 | SER | 0 | -0.057 | -0.019 | 15.884 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 469 | VAL | 0 | 0.004 | -0.001 | 17.028 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 470 | PRO | 0 | 0.003 | 0.012 | 20.305 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 471 | GLN | 0 | -0.005 | -0.002 | 20.701 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 472 | PRO | 0 | -0.043 | -0.025 | 23.796 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 473 | MET | 0 | 0.018 | 0.031 | 25.885 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 474 | TYR | 0 | -0.100 | -0.069 | 23.379 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 475 | SER | 0 | 0.030 | 0.002 | 28.984 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 476 | LYS | 1 | 0.843 | 0.954 | 32.696 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 477 | PRO | 0 | 0.002 | 0.006 | 33.692 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 478 | THR | 0 | 0.044 | 0.000 | 32.365 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 479 | PHE | 0 | -0.069 | -0.048 | 29.705 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 480 | SER | 0 | -0.025 | -0.022 | 30.633 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 481 | SER | 0 | 0.012 | 0.000 | 28.125 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 482 | THR | 0 | -0.083 | -0.060 | 25.449 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 483 | ASP | -1 | -0.773 | -0.862 | 25.719 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 484 | GLY | 0 | 0.013 | 0.010 | 26.066 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 485 | LEU | 0 | -0.008 | -0.024 | 22.139 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 486 | ASP | -1 | -0.773 | -0.854 | 24.123 | -0.098 | -0.098 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 487 | PHE | 0 | 0.059 | 0.028 | 20.168 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 488 | ALA | 0 | 0.005 | 0.008 | 25.612 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 489 | GLY | 0 | -0.030 | -0.017 | 24.927 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 490 | ARG | 1 | 0.926 | 0.965 | 25.743 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 491 | ALA | 0 | -0.014 | 0.002 | 28.510 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 492 | ALA | 0 | 0.033 | 0.018 | 24.408 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 493 | ASN | 0 | -0.054 | -0.020 | 26.023 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 494 | VAL | 0 | -0.023 | -0.018 | 28.616 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 495 | LEU | 0 | -0.029 | -0.003 | 23.871 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 496 | ALA | 0 | -0.021 | -0.004 | 28.150 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 497 | ARG | 1 | 0.861 | 0.929 | 27.571 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 498 | VAL | 0 | -0.023 | 0.000 | 29.068 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 499 | GLY | 0 | 0.020 | 0.005 | 29.645 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 500 | ARG | 1 | 0.888 | 0.962 | 31.611 | 0.091 | 0.091 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 501 | ASN | 0 | -0.013 | -0.027 | 33.119 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 502 | ASP | -1 | -0.774 | -0.848 | 35.265 | -0.074 | -0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 503 | HIS | 0 | -0.032 | -0.015 | 36.250 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 504 | PRO | 0 | 0.005 | 0.013 | 38.625 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 505 | ASP | -1 | -0.821 | -0.917 | 38.207 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 506 | ALA | 0 | 0.004 | -0.009 | 41.213 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 507 | GLY | 0 | -0.017 | -0.013 | 44.998 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 508 | VAL | 0 | -0.024 | 0.002 | 40.881 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 509 | ALA | 0 | -0.020 | -0.008 | 43.969 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 510 | GLY | 0 | 0.035 | 0.017 | 42.396 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 511 | CYS | 0 | -0.091 | -0.039 | 38.979 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 512 | THR | 0 | 0.051 | 0.012 | 38.502 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 513 | GLN | 0 | -0.012 | -0.022 | 35.524 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 514 | GLY | 0 | 0.032 | 0.012 | 33.880 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 515 | ALA | 0 | -0.017 | 0.006 | 33.108 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 516 | TYR | 0 | -0.003 | 0.005 | 31.942 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 517 | THR | 0 | -0.022 | -0.011 | 28.753 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 518 | THR | 0 | 0.018 | -0.001 | 31.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 519 | ASN | 0 | 0.037 | 0.008 | 31.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 520 | SER | 0 | 0.045 | 0.015 | 26.011 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 521 | GLY | 0 | 0.016 | 0.002 | 26.882 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 522 | ASP | -1 | -0.898 | -0.910 | 28.820 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 523 | SER | 0 | -0.056 | -0.019 | 30.934 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 524 | TRP | 0 | 0.019 | 0.011 | 27.084 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 525 | THR | 0 | -0.011 | 0.002 | 34.120 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 526 | LEU | 0 | 0.008 | -0.001 | 36.584 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 527 | PHE | 0 | -0.007 | 0.002 | 33.641 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 528 | GLN | 0 | -0.022 | -0.010 | 38.939 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 529 | THR | 0 | -0.020 | -0.021 | 42.056 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 531 | VAL | 0 | 0.019 | 0.031 | 37.166 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 532 | PRO | 0 | 0.013 | -0.002 | 40.120 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 533 | SER | 0 | -0.075 | -0.075 | 40.489 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 534 | LEU | 0 | 0.015 | 0.022 | 35.954 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 535 | GLU | -1 | -0.845 | -0.880 | 36.298 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 536 | VAL | 0 | 0.068 | 0.021 | 37.318 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 537 | GLY | 0 | -0.039 | -0.026 | 35.717 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 538 | ASN | 0 | 0.014 | -0.004 | 30.767 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 539 | GLY | 0 | 0.016 | 0.018 | 31.747 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 540 | GLY | 0 | -0.010 | -0.001 | 31.521 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 541 | THR | 0 | -0.016 | -0.019 | 27.267 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 542 | ILE | 0 | -0.069 | -0.005 | 27.704 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 543 | ALA | 0 | -0.011 | 0.000 | 27.969 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 544 | VAL | 0 | -0.017 | -0.006 | 28.417 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 545 | GLY | 0 | 0.026 | 0.007 | 29.012 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 546 | ALA | 0 | 0.008 | 0.004 | 29.251 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 547 | ASP | -1 | -0.860 | -0.952 | 30.251 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 548 | GLY | 0 | 0.013 | 0.011 | 31.861 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 549 | LYS | 1 | 0.798 | 0.887 | 32.653 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 550 | THR | 0 | -0.015 | -0.016 | 34.602 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 551 | PHE | 0 | -0.014 | 0.005 | 32.456 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 552 | VAL | 0 | 0.011 | 0.004 | 32.635 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 553 | TRP | 0 | 0.036 | 0.002 | 32.464 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 554 | SER | 0 | -0.006 | -0.027 | 32.418 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 555 | PRO | 0 | -0.013 | -0.006 | 33.279 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 556 | SER | 0 | -0.005 | -0.033 | 32.946 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 557 | LYS | 1 | 0.861 | 0.957 | 34.084 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 558 | ALA | 0 | 0.019 | 0.000 | 37.191 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 559 | ASP | -1 | -0.770 | -0.857 | 39.247 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 560 | GLY | 0 | -0.020 | -0.006 | 42.029 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 561 | LYS | 1 | 0.886 | 0.954 | 41.632 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 562 | GLY | 0 | 0.038 | 0.029 | 38.355 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 563 | PRO | 0 | -0.032 | -0.018 | 34.291 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 564 | TYR | 0 | -0.030 | -0.037 | 36.712 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 565 | THR | 0 | -0.026 | -0.033 | 37.090 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 566 | SER | 0 | 0.040 | 0.027 | 38.022 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 567 | SER | 0 | 0.006 | -0.013 | 38.148 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 568 | ASP | -1 | -0.835 | -0.902 | 40.292 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 569 | TYR | 0 | 0.006 | 0.003 | 36.160 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 570 | GLY | 0 | 0.109 | 0.045 | 39.580 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 571 | LYS | 1 | 0.818 | 0.939 | 40.771 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 572 | THR | 0 | -0.086 | -0.066 | 43.663 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 573 | TRP | 0 | -0.012 | -0.002 | 36.708 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 574 | THR | 0 | -0.047 | -0.020 | 42.028 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 575 | ALA | 0 | 0.002 | -0.002 | 41.610 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 576 | PRO | 0 | 0.000 | 0.019 | 39.143 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 577 | SER | 0 | -0.011 | -0.009 | 42.150 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 578 | GLY | 0 | -0.014 | -0.014 | 41.805 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 579 | LEU | 0 | -0.032 | -0.010 | 35.532 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 580 | SER | 0 | -0.013 | -0.020 | 39.960 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 581 | LYS | 1 | 0.882 | 0.927 | 36.993 | 0.057 | 0.057 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 582 | GLN | 0 | 0.041 | 0.026 | 35.503 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 583 | THR | 0 | -0.049 | -0.031 | 30.245 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 584 | THR | 0 | 0.077 | 0.037 | 26.645 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 585 | GLY | 0 | 0.024 | 0.025 | 26.648 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 586 | ILE | 0 | -0.031 | -0.034 | 27.316 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 587 | ALA | 0 | 0.016 | 0.018 | 24.882 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 588 | ALA | 0 | 0.018 | 0.019 | 26.683 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 589 | ASP | -1 | -0.727 | -0.820 | 26.403 | -0.049 | -0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 590 | ARG | 1 | 0.817 | 0.885 | 22.664 | 0.084 | 0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 591 | VAL | 0 | -0.009 | -0.016 | 26.308 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 592 | GLN | 0 | -0.021 | -0.014 | 28.824 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 593 | ALA | 0 | -0.028 | -0.025 | 31.855 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 594 | ASN | 0 | -0.010 | -0.007 | 33.905 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 595 | THR | 0 | 0.024 | 0.034 | 32.005 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 596 | PHE | 0 | -0.002 | 0.004 | 30.729 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 597 | TYR | 0 | -0.031 | -0.053 | 28.109 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 598 | VAL | 0 | 0.004 | -0.013 | 29.690 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 599 | TYR | 0 | 0.007 | 0.013 | 28.047 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 600 | VAL | 0 | 0.012 | 0.000 | 29.845 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 601 | GLU | -1 | -0.869 | -0.926 | 32.435 | -0.058 | -0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 602 | GLY | 0 | 0.016 | 0.018 | 32.221 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 603 | ASP | -1 | -0.899 | -0.914 | 33.310 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 604 | PHE | 0 | 0.020 | -0.005 | 28.870 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 605 | PHE | 0 | -0.017 | -0.013 | 33.056 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 606 | VAL | 0 | 0.006 | 0.003 | 32.811 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 607 | SER | 0 | -0.016 | 0.018 | 34.634 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 608 | THR | 0 | 0.069 | 0.019 | 35.263 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 609 | ASP | -1 | -0.829 | -0.884 | 37.481 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 610 | GLY | 0 | -0.012 | -0.025 | 36.781 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 611 | GLY | 0 | 0.020 | 0.022 | 37.390 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 612 | LYS | 1 | 0.911 | 0.970 | 37.900 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 613 | SER | 0 | -0.061 | -0.053 | 40.852 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 614 | TYR | 0 | 0.029 | 0.013 | 34.323 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 615 | THR | 0 | -0.043 | -0.032 | 38.227 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 616 | LYS | 1 | 0.871 | 0.937 | 37.448 | 0.046 | 0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 617 | LYS | 1 | 0.804 | 0.886 | 34.676 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 618 | GLY | 0 | 0.012 | 0.006 | 32.559 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 619 | ASN | 0 | -0.010 | -0.008 | 33.332 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 620 | GLY | 0 | 0.023 | 0.014 | 31.816 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 621 | LEU | 0 | -0.050 | 0.000 | 28.267 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 622 | PRO | 0 | -0.013 | 0.002 | 28.291 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 623 | CYS | 0 | 0.023 | -0.011 | 31.187 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 624 | CYS | 0 | -0.098 | -0.031 | 34.768 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 625 | TRP | 0 | 0.057 | 0.020 | 33.858 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 626 | THR | 0 | 0.009 | 0.014 | 34.412 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 627 | TYR | 0 | 0.005 | -0.002 | 29.031 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 628 | THR | 0 | 0.031 | 0.019 | 26.881 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 629 | GLY | 0 | 0.001 | -0.028 | 24.898 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 630 | THR | 0 | 0.013 | 0.011 | 21.274 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 631 | PRO | 0 | -0.016 | 0.011 | 23.112 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 632 | VAL | 0 | -0.004 | -0.008 | 18.430 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 633 | THR | 0 | -0.036 | -0.035 | 21.880 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 634 | SER | 0 | -0.006 | -0.013 | 21.098 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 635 | ASN | 0 | -0.084 | -0.071 | 17.894 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 636 | LEU | 0 | -0.062 | -0.028 | 19.837 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 637 | ARG | 1 | 0.795 | 0.881 | 21.619 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 638 | ALA | 0 | -0.017 | -0.008 | 26.293 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 639 | GLY | 0 | 0.004 | -0.013 | 29.084 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 640 | GLU | -1 | -0.852 | -0.893 | 23.379 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 641 | LEU | 0 | -0.070 | -0.044 | 23.632 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 642 | TRP | 0 | 0.033 | -0.004 | 20.080 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 643 | VAL | 0 | -0.039 | -0.019 | 22.863 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 644 | SER | 0 | 0.038 | 0.028 | 20.001 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 645 | VAL | 0 | -0.032 | -0.031 | 22.025 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 646 | LYS | 1 | 0.953 | 0.974 | 22.519 | 0.120 | 0.120 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 647 | GLY | 0 | 0.008 | 0.010 | 22.399 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 648 | VAL | 0 | -0.052 | -0.019 | 23.953 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 649 | GLY | 0 | 0.046 | 0.019 | 22.278 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 650 | ILE | 0 | -0.007 | 0.013 | 17.411 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 651 | TYR | 0 | -0.012 | -0.009 | 21.808 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 652 | HIS | 0 | -0.014 | -0.011 | 22.606 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 653 | SER | 0 | 0.015 | 0.020 | 24.547 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 654 | THR | 0 | 0.026 | 0.003 | 26.292 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 655 | ASP | -1 | -0.784 | -0.866 | 28.532 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 656 | PHE | 0 | -0.013 | -0.011 | 30.594 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 657 | GLY | 0 | 0.073 | 0.024 | 30.692 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 658 | ASN | 0 | -0.063 | -0.021 | 31.555 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 659 | THR | 0 | -0.027 | -0.040 | 31.743 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 660 | PHE | 0 | -0.035 | -0.009 | 26.286 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 661 | THR | 0 | -0.011 | -0.002 | 26.491 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 662 | ALA | 0 | -0.021 | -0.012 | 25.248 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 663 | LEU | 0 | 0.015 | 0.020 | 18.411 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 664 | ALA | 0 | 0.053 | 0.005 | 20.358 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 665 | GLY | 0 | 0.039 | 0.023 | 20.622 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 666 | SER | 0 | -0.042 | -0.016 | 22.643 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 667 | GLY | 0 | -0.019 | -0.004 | 23.971 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 668 | SER | 0 | -0.075 | -0.046 | 24.922 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 669 | SER | 0 | 0.003 | 0.006 | 20.820 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 670 | LEU | 0 | -0.086 | -0.023 | 17.885 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 671 | ASN | 0 | 0.014 | -0.004 | 19.119 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 672 | PRO | 0 | 0.001 | 0.012 | 17.650 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 673 | ALA | 0 | 0.020 | 0.004 | 16.988 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 674 | VAL | 0 | -0.046 | -0.022 | 14.745 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 675 | PHE | 0 | 0.018 | -0.012 | 15.309 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 676 | SER | 0 | 0.028 | -0.002 | 13.535 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 677 | ILE | 0 | 0.011 | 0.027 | 14.415 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 678 | GLY | 0 | 0.024 | 0.010 | 12.946 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 679 | ALA | 0 | -0.002 | 0.005 | 13.828 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 680 | PRO | 0 | -0.002 | -0.003 | 13.497 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 681 | GLN | 0 | 0.014 | 0.004 | 12.451 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 682 | THR | 0 | -0.018 | -0.006 | 14.478 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 683 | PRO | 0 | 0.051 | 0.006 | 18.139 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 684 | ASN | 0 | -0.046 | -0.032 | 20.592 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 685 | ALA | 0 | 0.046 | 0.060 | 18.824 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 686 | THR | 0 | 0.043 | 0.011 | 18.221 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 687 | GLU | -1 | -0.798 | -0.868 | 16.857 | -0.050 | -0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 688 | THR | 0 | -0.035 | -0.013 | 11.227 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 689 | LEU | 0 | -0.068 | -0.014 | 13.189 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 690 | PHE | 0 | 0.018 | -0.013 | 7.509 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 691 | LEU | 0 | -0.035 | -0.005 | 10.910 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 692 | TRP | 0 | 0.021 | 0.019 | 9.397 | -0.102 | -0.102 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 693 | GLY | 0 | 0.071 | 0.004 | 12.912 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 694 | ILE | 0 | -0.003 | 0.016 | 14.178 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 695 | PRO | 0 | -0.004 | 0.017 | 12.704 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 696 | SER | 0 | -0.017 | -0.046 | 15.723 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 697 | ALA | 0 | 0.010 | -0.009 | 17.985 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | A | 698 | SER | 0 | -0.023 | -0.007 | 17.333 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | A | 699 | GLN | 0 | -0.043 | 0.004 | 12.091 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | A | 700 | PRO | 0 | 0.045 | 0.029 | 12.863 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | A | 701 | GLU | -1 | -0.767 | -0.877 | 13.499 | -0.315 | -0.315 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | A | 702 | GLY | 0 | -0.014 | 0.005 | 10.239 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | A | 703 | LEU | 0 | -0.017 | -0.011 | 5.765 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | A | 704 | TYR | 0 | -0.046 | -0.045 | 7.368 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | A | 705 | MET | 0 | -0.004 | 0.009 | 5.984 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | A | 706 | SER | 0 | -0.007 | 0.018 | 9.067 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | A | 707 | THR | 0 | 0.011 | -0.013 | 11.188 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | A | 708 | ASP | -1 | -0.859 | -0.921 | 13.724 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | A | 709 | ASN | 0 | 0.011 | -0.010 | 16.904 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | A | 710 | GLY | 0 | 0.053 | 0.019 | 16.066 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | A | 711 | GLY | 0 | -0.065 | -0.009 | 17.056 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | A | 712 | LEU | 0 | -0.035 | -0.029 | 12.594 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | A | 713 | TRP | 0 | 0.036 | 0.013 | 11.511 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | A | 714 | THR | 0 | -0.021 | -0.019 | 7.075 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | A | 715 | ARG | 1 | 0.826 | 0.902 | 6.717 | 0.686 | 0.686 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | A | 716 | LEU | 0 | -0.020 | -0.016 | 2.544 | -1.030 | -0.305 | 0.840 | -0.415 | -1.151 | 0.001 |
714 | A | 717 | ASN | 0 | 0.025 | 0.017 | 2.356 | -2.008 | -2.229 | 2.890 | -1.127 | -1.542 | -0.014 |
715 | A | 718 | ASP | -1 | -0.803 | -0.888 | 4.870 | -1.187 | -1.160 | -0.001 | -0.003 | -0.022 | 0.000 |
716 | A | 719 | ASP | -1 | -0.834 | -0.923 | 7.815 | -0.380 | -0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | A | 720 | ALA | 0 | -0.035 | -0.011 | 10.377 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | A | 721 | HIS | 1 | 0.776 | 0.869 | 7.298 | 0.993 | 0.993 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | A | 722 | ASN | 0 | 0.030 | -0.002 | 8.688 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | A | 723 | TYR | 0 | -0.016 | -0.015 | 7.333 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | A | 724 | GLY | 0 | 0.074 | 0.039 | 13.505 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | A | 725 | GLY | 0 | -0.006 | 0.003 | 13.722 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | A | 726 | ALA | 0 | -0.031 | -0.011 | 12.186 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | A | 727 | THR | 0 | -0.004 | -0.010 | 14.272 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | A | 728 | VAL | 0 | -0.044 | -0.012 | 15.965 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | A | 729 | ILE | 0 | -0.016 | -0.015 | 10.887 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | A | 730 | SER | 0 | -0.060 | -0.027 | 12.883 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | A | 731 | GLY | 0 | 0.036 | 0.029 | 11.477 | -0.041 | -0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | A | 732 | ASP | -1 | -0.704 | -0.842 | 12.029 | -0.128 | -0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | A | 733 | PRO | 0 | -0.017 | -0.016 | 13.666 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | A | 734 | ARG | 1 | 0.811 | 0.905 | 15.748 | 0.085 | 0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | A | 735 | ILE | 0 | -0.054 | -0.009 | 10.272 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | A | 736 | TYR | 0 | 0.034 | 0.027 | 9.707 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | A | 737 | GLY | 0 | 0.015 | -0.012 | 7.471 | 0.045 | 0.045 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | A | 738 | ARG | 1 | 0.848 | 0.927 | 5.792 | 0.199 | 0.199 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | A | 739 | VAL | 0 | -0.006 | -0.009 | 6.125 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | A | 740 | TYR | 0 | -0.047 | -0.031 | 7.898 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | A | 741 | ILE | 0 | 0.006 | -0.004 | 8.332 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | A | 742 | GLY | 0 | 0.046 | -0.013 | 11.588 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | A | 743 | MET | 0 | 0.036 | 0.002 | 11.292 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | A | 744 | ASN | 0 | -0.021 | -0.021 | 16.464 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | A | 745 | GLY | 0 | 0.084 | 0.024 | 19.821 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | A | 746 | ARG | 1 | 0.749 | 0.848 | 14.028 | 0.380 | 0.380 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | A | 747 | GLY | 0 | -0.007 | 0.026 | 15.219 | -0.040 | -0.040 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | A | 748 | ILE | 0 | 0.020 | -0.014 | 12.648 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | A | 749 | ILE | 0 | 0.004 | 0.019 | 7.639 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | A | 750 | CYS | 0 | -0.049 | -0.035 | 7.526 | 0.128 | 0.128 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | A | 751 | ALA | 0 | 0.006 | -0.001 | 3.730 | -0.348 | -0.265 | 0.002 | -0.032 | -0.054 | 0.000 |
749 | A | 752 | GLN | 0 | 0.003 | 0.003 | 3.347 | 0.054 | 0.501 | 0.015 | -0.152 | -0.309 | 0.000 |
750 | A | 753 | ALA | 0 | 0.019 | 0.000 | 2.542 | -2.668 | -0.900 | 2.172 | -1.914 | -2.027 | -0.020 |
751 | A | 754 | LEU | 0 | -0.016 | -0.004 | 2.289 | -0.831 | 0.109 | 5.046 | -2.867 | -3.118 | -0.022 |
752 | A | 755 | GLY | 0 | 0.020 | 0.023 | 3.826 | -1.410 | -1.295 | 0.002 | 0.002 | -0.119 | 0.000 |