
FMODB ID: 8N7VY
Calculation Name: 1E9S-L-Xray540
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 1E9S
Chain ID: L
UniProt ID: Q04230
Base Structure: X-ray
Registration Date: 2025-07-07
Reference: C. Watanabe, N. Tani, K. Kamisaka, T. Honma et al., Interaction energy analysis of Apo structure dataset on FMODB, To be published.
Apendix: None
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | MOE:Structure Preparation |
Water | No |
Procedure | Auto-FMO protocol ver. 2.20220422 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 795 |
LigandResidueName | |
LigandFragmentNumber | 0 |
LigandCharge | |
Software | ABINIT-MP - Open Ver. 1 Rev. 23Q2 / 20200603(SMP) |
Total energy (hartree)
FMO2-HF: Electronic energy | -7452547.280482 |
---|---|
FMO2-HF: Nuclear repulsion | 7287346.67894 |
FMO2-HF: Total energy | -165200.601542 |
FMO2-MP2: Total energy | -165686.20439 |
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(L:72:ASN)
Summations of interaction energy for
fragment #1(L:72: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. |
-10.545 | -6.758 | 3.371 | -3.163 | -4 | -0.006 |
Interaction energy analysis for fragmet #1(L:72: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]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
4 | L | 73 | SER | 0 | -0.040 | 0.054 | 4.203 | 0.800 | 1.075 | 0.000 | -0.127 | -0.147 | 0.000 |
5 | L | 74 | VAL | 0 | 0.117 | -0.111 | 3.199 | -0.878 | 1.031 | 0.012 | -1.069 | -0.853 | 0.003 |
6 | L | 74 | VAL | 0 | -0.087 | 0.120 | 3.697 | -0.088 | 0.061 | 0.003 | -0.053 | -0.100 | 0.000 |
7 | L | 75 | GLY | 0 | 0.072 | -0.073 | 5.155 | -1.111 | -1.074 | -0.002 | 0.000 | -0.036 | 0.000 |
8 | L | 76 | GLN | 0 | 0.032 | 0.028 | 7.257 | 0.194 | 0.194 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | L | 76 | GLN | 0 | -0.028 | 0.096 | 5.218 | 0.603 | 0.596 | -0.001 | -0.006 | 0.014 | 0.000 |
10 | L | 77 | GLY | 0 | 0.036 | -0.095 | 8.704 | 0.109 | 0.109 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | L | 78 | GLU | 0 | 0.000 | -0.033 | 11.462 | 0.162 | 0.162 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | L | 78 | GLU | -1 | -1.030 | -0.888 | 10.549 | -0.273 | -0.273 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | L | 79 | PHE | 0 | 0.094 | -0.096 | 10.583 | 0.153 | 0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | L | 79 | PHE | 0 | -0.147 | 0.074 | 8.725 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | L | 80 | GLY | 0 | 0.007 | -0.069 | 11.093 | -0.166 | -0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | L | 81 | GLY | 0 | 0.036 | 0.009 | 11.023 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | L | 82 | ALA | 0 | 0.107 | -0.018 | 7.559 | -0.158 | -0.158 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | L | 82 | ALA | 0 | -0.080 | 0.117 | 6.650 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | L | 83 | PRO | 0 | 0.020 | -0.096 | 3.254 | 0.654 | 0.333 | 0.002 | 0.489 | -0.171 | 0.001 |
20 | L | 84 | PHE | 0 | 0.083 | -0.029 | 3.526 | -1.947 | -1.763 | 0.034 | 0.060 | -0.278 | -0.001 |
21 | L | 84 | PHE | 0 | -0.052 | 0.064 | 4.961 | -0.018 | 0.052 | -0.001 | -0.026 | -0.044 | 0.000 |
22 | L | 85 | LYS | 0 | 0.122 | -0.057 | 2.503 | 0.826 | 1.210 | 3.080 | -2.144 | -1.320 | -0.007 |
23 | L | 85 | LYS | 1 | 0.861 | 1.064 | 3.483 | -8.342 | -7.921 | 0.023 | -0.171 | -0.272 | 0.001 |
24 | L | 86 | ARG | 0 | 0.063 | -0.114 | 3.165 | -0.012 | -0.518 | 0.054 | 0.455 | -0.004 | 0.000 |
25 | L | 86 | ARG | 1 | 0.805 | 1.048 | 7.328 | -1.459 | -1.459 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | L | 87 | PHE | 0 | 0.136 | -0.087 | 6.736 | -0.338 | -0.338 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | L | 87 | PHE | 0 | -0.146 | 0.086 | 9.267 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | L | 88 | LEU | 0 | 0.024 | -0.119 | 9.465 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | L | 88 | LEU | 0 | -0.100 | 0.103 | 10.590 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | L | 89 | ARG | 0 | 0.065 | -0.112 | 12.578 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | L | 89 | ARG | 1 | 0.842 | 1.051 | 15.749 | -0.176 | -0.176 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | L | 90 | GLY | 0 | 0.010 | -0.081 | 14.729 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | L | 91 | THR | 0 | 0.031 | -0.010 | 17.081 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | L | 91 | THR | 0 | -0.012 | 0.109 | 17.060 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | L | 92 | ARG | 0 | 0.084 | -0.112 | 14.169 | -0.035 | -0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | L | 92 | ARG | 1 | 0.879 | 1.063 | 12.268 | -0.343 | -0.343 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | L | 93 | ILE | 0 | 0.110 | -0.066 | 13.585 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | L | 93 | ILE | 0 | -0.042 | 0.120 | 12.718 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | L | 94 | VAL | 0 | 0.002 | -0.086 | 13.232 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | L | 94 | VAL | 0 | -0.150 | 0.071 | 14.379 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | L | 95 | SER | 0 | 0.135 | -0.070 | 15.141 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | L | 95 | SER | 0 | -0.006 | 0.095 | 15.331 | 0.024 | 0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | L | 96 | GLY | 0 | 0.089 | -0.074 | 16.717 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | L | 97 | GLY | 0 | 0.000 | -0.009 | 19.919 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | L | 98 | LYS | 0 | 0.103 | -0.001 | 17.518 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | L | 98 | LYS | 1 | 0.917 | 1.066 | 13.648 | -0.195 | -0.195 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | L | 99 | LEU | 0 | 0.121 | -0.105 | 19.024 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | L | 99 | LEU | 0 | -0.037 | 0.145 | 19.958 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | L | 100 | LYS | 0 | 0.083 | -0.076 | 20.902 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | L | 100 | LYS | 1 | 0.881 | 1.082 | 23.721 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | L | 101 | ARG | 0 | 0.032 | -0.110 | 22.477 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | L | 101 | ARG | 1 | 0.875 | 1.055 | 18.283 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | L | 102 | MET | 0 | 0.032 | -0.095 | 21.753 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | L | 102 | MET | 0 | -0.133 | 0.072 | 18.917 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | L | 103 | THR | 0 | -0.024 | -0.093 | 22.922 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | L | 103 | THR | 0 | -0.052 | 0.052 | 24.004 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | L | 104 | ARG | 0 | 0.167 | -0.060 | 25.922 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | L | 104 | ARG | 1 | 0.851 | 1.073 | 27.161 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | L | 105 | GLU | 0 | 0.065 | -0.118 | 28.198 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | L | 105 | GLU | -1 | -0.927 | -0.822 | 30.740 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | L | 106 | LYS | 0 | 0.074 | -0.093 | 31.122 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | L | 106 | LYS | 1 | 0.791 | 1.014 | 33.064 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | L | 107 | ALA | 0 | 0.099 | -0.067 | 34.282 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | L | 107 | ALA | 0 | -0.085 | 0.063 | 36.088 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | L | 108 | LYS | 0 | 0.113 | -0.084 | 35.317 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | L | 108 | LYS | 1 | 0.864 | 1.073 | 38.954 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | L | 109 | GLN | 0 | -0.021 | -0.126 | 33.707 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | L | 109 | GLN | 0 | -0.065 | 0.105 | 30.260 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | L | 110 | VAL | 0 | 0.140 | -0.085 | 34.542 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | L | 110 | VAL | 0 | -0.043 | 0.152 | 34.479 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | L | 111 | THR | 0 | -0.025 | -0.110 | 31.555 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | L | 111 | THR | 0 | -0.084 | -0.004 | 31.088 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | L | 112 | VAL | 0 | 0.100 | -0.088 | 30.084 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | L | 112 | VAL | 0 | -0.052 | 0.105 | 29.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | L | 113 | ALA | 0 | 0.160 | -0.086 | 28.222 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | L | 113 | ALA | 0 | -0.065 | 0.116 | 27.443 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | L | 114 | GLY | 0 | -0.018 | -0.111 | 27.622 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | L | 115 | VAL | 0 | -0.041 | -0.087 | 26.296 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | L | 115 | VAL | 0 | -0.076 | 0.107 | 24.598 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | L | 116 | PRO | 0 | -0.050 | -0.090 | 26.803 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | L | 117 | MET | 0 | 0.164 | -0.008 | 28.305 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | L | 117 | MET | 0 | -0.124 | 0.132 | 30.636 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | L | 118 | PRO | 0 | -0.019 | -0.107 | 27.358 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | L | 119 | ARG | 0 | 0.132 | 0.009 | 30.395 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | L | 119 | ARG | 1 | 0.842 | 1.090 | 33.962 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | L | 120 | ASP | 0 | 0.020 | -0.124 | 32.872 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | L | 120 | ASP | -1 | -0.930 | -0.842 | 30.816 | 0.041 | 0.041 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | L | 121 | ALA | 0 | 0.078 | -0.130 | 31.012 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | L | 121 | ALA | 0 | -0.077 | 0.108 | 30.233 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | L | 122 | GLU | 0 | 0.027 | -0.102 | 32.341 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | L | 122 | GLU | -1 | -0.836 | -0.775 | 34.524 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | L | 123 | PRO | 0 | -0.032 | -0.112 | 35.385 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | L | 124 | ARG | 0 | 0.091 | 0.043 | 34.170 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | L | 124 | ARG | 1 | 0.775 | 1.006 | 32.355 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | L | 125 | HIS | 0 | 0.061 | -0.117 | 34.398 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | L | 125 | HIS | 0 | -0.051 | 0.169 | 36.057 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | L | 126 | LEU | 0 | 0.195 | -0.102 | 32.642 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | L | 126 | LEU | 0 | -0.146 | 0.102 | 30.622 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | L | 127 | LEU | 0 | 0.096 | -0.108 | 32.126 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | L | 127 | LEU | 0 | -0.083 | 0.120 | 32.028 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | L | 128 | VAL | 0 | 0.056 | -0.131 | 31.276 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | L | 128 | VAL | 0 | -0.069 | 0.110 | 31.806 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | L | 129 | ASN | 0 | 0.118 | -0.088 | 30.937 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | L | 129 | ASN | 0 | -0.089 | 0.076 | 30.445 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | L | 130 | GLY | 0 | -0.024 | -0.116 | 30.557 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | L | 131 | ALA | 0 | 0.172 | 0.054 | 32.119 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | L | 131 | ALA | 0 | -0.070 | 0.083 | 33.130 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | L | 132 | THR | 0 | -0.012 | -0.115 | 34.236 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | L | 132 | THR | 0 | 0.031 | 0.118 | 38.210 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | L | 133 | GLY | 0 | -0.008 | -0.093 | 36.140 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | L | 134 | THR | 0 | 0.081 | 0.048 | 32.108 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | L | 134 | THR | 0 | -0.050 | 0.089 | 31.079 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | L | 135 | GLY | 0 | 0.001 | -0.111 | 31.554 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | L | 136 | LYS | 0 | 0.102 | -0.032 | 33.816 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | L | 136 | LYS | 1 | 0.810 | 1.056 | 34.335 | 0.108 | 0.108 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | L | 137 | SER | 0 | 0.036 | -0.061 | 35.099 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | L | 137 | SER | 0 | -0.014 | 0.081 | 38.534 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | L | 138 | VAL | 0 | 0.068 | -0.111 | 35.029 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | L | 138 | VAL | 0 | -0.026 | 0.125 | 33.947 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | L | 139 | LEU | 0 | 0.080 | -0.077 | 33.233 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | L | 139 | LEU | 0 | -0.090 | 0.100 | 30.472 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | L | 140 | LEU | 0 | 0.098 | -0.114 | 34.196 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | L | 140 | LEU | 0 | -0.042 | 0.131 | 35.674 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | L | 141 | ARG | 0 | 0.152 | -0.070 | 37.305 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | L | 141 | ARG | 1 | 0.811 | 1.058 | 38.304 | 0.081 | 0.081 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | L | 142 | GLU | 0 | 0.087 | -0.126 | 35.303 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | L | 142 | GLU | -1 | -0.855 | -0.712 | 32.268 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | L | 143 | LEU | 0 | 0.065 | -0.128 | 35.881 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | L | 143 | LEU | 0 | -0.116 | 0.106 | 34.129 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | L | 144 | ALA | 0 | 0.094 | -0.088 | 36.520 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | L | 144 | ALA | 0 | -0.013 | 0.106 | 40.969 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | L | 145 | TYR | 0 | 0.102 | -0.090 | 39.799 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | L | 145 | TYR | 0 | -0.113 | 0.072 | 38.677 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | L | 146 | THR | 0 | -0.044 | -0.119 | 37.106 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | L | 146 | THR | 0 | -0.041 | 0.082 | 35.413 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | L | 147 | GLY | 0 | 0.044 | -0.072 | 38.658 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | L | 148 | LEU | 0 | 0.116 | 0.001 | 40.284 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | L | 148 | LEU | 0 | -0.073 | 0.122 | 43.614 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | L | 149 | LEU | 0 | 0.036 | -0.103 | 41.742 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | L | 149 | LEU | 0 | -0.063 | 0.110 | 39.714 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | L | 150 | ARG | 0 | -0.039 | -0.171 | 41.125 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | L | 150 | ARG | 1 | 0.581 | 0.939 | 36.899 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | L | 151 | GLY | 0 | -0.037 | -0.137 | 42.363 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | L | 152 | ASP | 0 | -0.003 | -0.003 | 43.264 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | L | 152 | ASP | -1 | -0.830 | -0.825 | 41.159 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | L | 153 | ARG | 0 | 0.134 | -0.075 | 44.654 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | L | 153 | ARG | 1 | 0.729 | 0.994 | 47.788 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | L | 154 | MET | 0 | 0.008 | -0.133 | 45.035 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | L | 154 | MET | 0 | -0.103 | 0.112 | 43.574 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | L | 155 | VAL | 0 | 0.152 | -0.082 | 46.022 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | L | 155 | VAL | 0 | -0.066 | 0.114 | 47.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | L | 156 | ILE | 0 | -0.014 | -0.120 | 45.390 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | L | 156 | ILE | 0 | -0.046 | 0.080 | 43.900 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | L | 157 | VAL | 0 | 0.078 | -0.065 | 45.467 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | L | 157 | VAL | 0 | -0.117 | 0.090 | 45.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | L | 158 | ASP | 0 | 0.067 | -0.104 | 45.427 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | L | 158 | ASP | -1 | -0.909 | -0.813 | 46.584 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | L | 159 | PRO | 0 | 0.092 | -0.071 | 45.219 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | L | 160 | ASN | 0 | 0.026 | -0.017 | 47.611 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | L | 160 | ASN | 0 | -0.080 | 0.100 | 47.658 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | L | 161 | GLY | 0 | 0.052 | -0.091 | 49.769 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | L | 162 | ASP | 0 | 0.141 | -0.008 | 46.038 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | L | 162 | ASP | -1 | -1.005 | -0.846 | 45.196 | -0.069 | -0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | L | 163 | MET | 0 | 0.035 | -0.140 | 45.384 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | L | 163 | MET | 0 | -0.107 | 0.093 | 41.149 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | L | 164 | LEU | 0 | 0.116 | -0.117 | 46.095 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | L | 164 | LEU | 0 | -0.077 | 0.131 | 50.762 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | L | 165 | SER | 0 | -0.022 | -0.105 | 49.769 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | L | 165 | SER | 0 | -0.046 | 0.085 | 48.577 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | L | 166 | LYS | 0 | 0.013 | -0.118 | 46.032 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | L | 166 | LYS | 1 | 0.767 | 1.034 | 44.724 | 0.063 | 0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | L | 167 | PHE | 0 | -0.061 | -0.146 | 46.518 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | L | 167 | PHE | 0 | -0.089 | 0.078 | 41.762 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | L | 168 | GLY | 0 | 0.074 | -0.074 | 47.685 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | L | 169 | ARG | 0 | 0.027 | 0.016 | 51.194 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | L | 169 | ARG | 1 | 0.705 | 0.945 | 50.085 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | L | 170 | ASP | 0 | 0.164 | -0.072 | 53.393 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | L | 170 | ASP | -1 | -1.002 | -0.856 | 57.760 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | L | 171 | LYS | 0 | 0.067 | -0.071 | 56.142 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | L | 171 | LYS | 1 | 0.847 | 1.032 | 52.908 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | L | 172 | ASP | 0 | 0.030 | -0.119 | 53.303 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | L | 172 | ASP | -1 | -0.848 | -0.773 | 51.650 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | L | 173 | ILE | 0 | 0.118 | -0.102 | 54.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | L | 173 | ILE | 0 | -0.088 | 0.100 | 54.975 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | L | 174 | ILE | 0 | 0.050 | -0.116 | 53.983 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | L | 174 | ILE | 0 | -0.013 | 0.123 | 54.407 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | L | 175 | LEU | 0 | 0.050 | -0.112 | 54.686 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | L | 175 | LEU | 0 | -0.074 | 0.117 | 54.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | L | 176 | ASN | 0 | 0.196 | -0.091 | 54.994 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | L | 176 | ASN | 0 | -0.114 | 0.083 | 55.452 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | L | 177 | PRO | 0 | -0.012 | -0.088 | 57.243 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | L | 178 | TYR | 0 | 0.099 | 0.049 | 59.348 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | L | 178 | TYR | 0 | -0.163 | 0.008 | 59.161 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | L | 179 | ASP | 0 | 0.156 | -0.057 | 58.693 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | L | 179 | ASP | -1 | -0.844 | -0.768 | 57.320 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | L | 180 | GLN | 0 | 0.210 | -0.087 | 60.069 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | L | 180 | GLN | 0 | -0.170 | 0.070 | 62.879 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | L | 181 | ARG | 0 | -0.017 | -0.118 | 59.806 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | L | 181 | ARG | 1 | 0.614 | 0.914 | 55.650 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | L | 182 | THR | 0 | -0.029 | -0.091 | 59.170 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | L | 182 | THR | 0 | -0.074 | 0.046 | 59.006 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | L | 183 | LYS | 0 | 0.009 | -0.090 | 59.592 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | L | 183 | LYS | 1 | 0.889 | 1.065 | 59.217 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | L | 184 | GLY | 0 | 0.067 | -0.072 | 61.397 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | L | 185 | TRP | 0 | 0.064 | -0.007 | 61.196 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | L | 185 | TRP | 0 | -0.132 | 0.032 | 58.675 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | L | 186 | SER | 0 | 0.090 | -0.054 | 62.733 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | L | 186 | SER | 0 | 0.009 | 0.100 | 65.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | L | 187 | PHE | 0 | 0.073 | -0.071 | 61.056 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | L | 187 | PHE | 0 | -0.041 | 0.085 | 60.727 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | L | 188 | PHE | 0 | 0.099 | -0.116 | 61.947 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | L | 188 | PHE | 0 | -0.071 | 0.097 | 66.516 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | L | 189 | ASN | 0 | 0.077 | -0.087 | 63.430 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | L | 189 | ASN | 0 | -0.101 | 0.076 | 62.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | L | 190 | GLU | 0 | 0.025 | -0.113 | 59.983 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | L | 190 | GLU | -1 | -0.779 | -0.751 | 58.720 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | L | 191 | ILE | 0 | 0.033 | -0.129 | 61.088 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | L | 191 | ILE | 0 | -0.057 | 0.132 | 62.423 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | L | 192 | ARG | 0 | 0.034 | -0.080 | 63.086 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | L | 192 | ARG | 1 | 0.786 | 0.990 | 59.850 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | L | 193 | ASN | 0 | 0.172 | -0.032 | 63.371 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | L | 193 | ASN | 0 | -0.187 | 0.011 | 61.432 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | L | 194 | ASP | 0 | 0.144 | -0.096 | 64.860 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | L | 194 | ASP | -1 | -0.949 | -0.810 | 66.385 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | L | 195 | TYR | 0 | 0.060 | -0.100 | 61.726 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | L | 195 | TYR | 0 | -0.094 | 0.070 | 58.631 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | L | 196 | ASP | 0 | 0.019 | -0.157 | 60.291 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | L | 196 | ASP | -1 | -0.759 | -0.745 | 59.981 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | L | 197 | TRP | 0 | 0.121 | -0.070 | 61.000 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | L | 197 | TRP | 0 | -0.037 | 0.134 | 64.654 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | L | 198 | GLN | 0 | 0.171 | -0.076 | 61.074 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | L | 198 | GLN | 0 | -0.068 | 0.125 | 58.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | L | 199 | ARG | 0 | 0.056 | -0.100 | 57.288 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | L | 199 | ARG | 1 | 0.717 | 0.997 | 54.215 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | L | 200 | TYR | 0 | 0.042 | -0.099 | 56.705 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | L | 200 | TYR | 0 | -0.115 | 0.076 | 56.130 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | L | 201 | ALA | 0 | 0.164 | -0.072 | 58.561 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | L | 201 | ALA | 0 | -0.059 | 0.096 | 60.434 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | L | 202 | LEU | 0 | -0.062 | -0.179 | 55.584 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | L | 202 | LEU | 0 | -0.076 | 0.104 | 54.535 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | L | 203 | SER | 0 | 0.042 | -0.073 | 54.262 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | L | 203 | SER | 0 | -0.088 | 0.042 | 53.974 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | L | 204 | VAL | 0 | 0.054 | -0.080 | 55.319 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | L | 204 | VAL | 0 | -0.077 | 0.097 | 59.073 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | L | 205 | VAL | 0 | 0.029 | -0.116 | 57.711 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | L | 205 | VAL | 0 | -0.088 | 0.102 | 57.875 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | L | 206 | PRO | 0 | 0.044 | -0.063 | 52.189 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | L | 207 | ARG | 0 | 0.101 | -0.027 | 51.293 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | L | 207 | ARG | 1 | 0.770 | 1.046 | 50.276 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | L | 208 | GLY | 0 | 0.019 | -0.077 | 52.128 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | L | 209 | LYS | 0 | 0.147 | 0.008 | 50.209 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | L | 209 | LYS | 1 | 0.827 | 1.056 | 48.363 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | L | 210 | THR | 0 | -0.033 | -0.059 | 50.100 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | L | 210 | THR | 0 | -0.034 | 0.031 | 51.665 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | L | 211 | ASP | 0 | 0.150 | -0.081 | 52.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | L | 211 | ASP | -1 | -1.002 | -0.852 | 52.450 | -0.026 | -0.026 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | L | 212 | GLU | 0 | 0.137 | -0.114 | 54.369 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | L | 212 | GLU | -1 | -1.028 | -0.850 | 57.360 | -0.030 | -0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | L | 213 | ALA | 0 | 0.125 | -0.079 | 56.100 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | L | 213 | ALA | 0 | -0.101 | 0.090 | 55.106 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | L | 214 | GLU | 0 | 0.097 | -0.133 | 55.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | L | 214 | GLU | -1 | -0.801 | -0.706 | 54.226 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | L | 215 | GLU | 0 | 0.057 | -0.129 | 56.333 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | L | 215 | GLU | -1 | -1.011 | -0.832 | 59.260 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | L | 216 | TRP | 0 | 0.066 | -0.138 | 59.548 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | L | 216 | TRP | 0 | -0.050 | 0.119 | 59.617 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | L | 217 | ALA | 0 | 0.112 | -0.094 | 57.996 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | L | 217 | ALA | 0 | -0.063 | 0.133 | 57.564 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | L | 218 | SER | 0 | -0.050 | -0.141 | 59.499 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | L | 218 | SER | 0 | -0.042 | 0.090 | 58.681 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | L | 219 | TYR | 0 | 0.034 | -0.141 | 60.706 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | L | 219 | TYR | 0 | -0.050 | 0.138 | 64.410 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | L | 220 | GLY | 0 | 0.042 | -0.073 | 62.702 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | L | 221 | ARG | 0 | 0.137 | 0.007 | 61.309 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | L | 221 | ARG | 1 | 0.629 | 0.944 | 55.734 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | L | 222 | LEU | 0 | 0.069 | -0.114 | 62.570 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | L | 222 | LEU | 0 | -0.130 | 0.105 | 65.358 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | L | 223 | LEU | 0 | 0.115 | -0.107 | 65.567 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | L | 223 | LEU | 0 | -0.056 | 0.137 | 67.018 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | L | 224 | LEU | 0 | 0.106 | -0.088 | 64.538 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | L | 224 | LEU | 0 | -0.117 | 0.095 | 62.116 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | L | 225 | ARG | 0 | 0.061 | -0.077 | 65.150 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | L | 225 | ARG | 1 | 0.810 | 1.012 | 62.903 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | L | 226 | GLU | 0 | 0.061 | -0.112 | 66.101 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | L | 226 | GLU | -1 | -0.905 | -0.784 | 69.126 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | L | 227 | THR | 0 | -0.014 | -0.117 | 69.423 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | L | 227 | THR | 0 | -0.018 | 0.073 | 69.708 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | L | 228 | ALA | 0 | 0.092 | -0.090 | 67.771 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | L | 228 | ALA | 0 | -0.097 | 0.087 | 67.319 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | L | 229 | LYS | 0 | -0.004 | -0.135 | 69.241 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | L | 229 | LYS | 1 | 0.831 | 1.050 | 67.142 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | L | 230 | LYS | 0 | 0.134 | -0.069 | 70.406 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | L | 230 | LYS | 1 | 0.793 | 1.046 | 74.049 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | L | 231 | LEU | 0 | 0.104 | -0.115 | 72.949 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | L | 231 | LEU | 0 | -0.081 | 0.127 | 71.543 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | L | 232 | ALA | 0 | 0.075 | -0.072 | 71.360 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | L | 232 | ALA | 0 | -0.085 | 0.071 | 70.512 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | L | 233 | LEU | 0 | 0.025 | -0.113 | 72.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | L | 233 | LEU | 0 | -0.106 | 0.091 | 74.192 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | L | 234 | ILE | 0 | -0.024 | -0.123 | 75.551 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | L | 234 | ILE | 0 | -0.116 | 0.091 | 76.903 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | L | 235 | GLY | 0 | 0.045 | -0.093 | 76.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | L | 236 | THR | 0 | -0.048 | -0.004 | 75.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | L | 236 | THR | 0 | -0.009 | 0.080 | 75.914 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | L | 237 | PRO | 0 | 0.046 | -0.056 | 70.177 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | L | 238 | SER | 0 | 0.090 | 0.016 | 70.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | L | 238 | SER | 0 | -0.055 | 0.063 | 72.431 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | L | 239 | MET | 0 | 0.132 | -0.122 | 67.556 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | L | 239 | MET | 0 | -0.057 | 0.164 | 64.203 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | L | 240 | ARG | 0 | 0.145 | -0.098 | 68.746 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | L | 240 | ARG | 1 | 0.880 | 1.116 | 70.023 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | L | 241 | GLU | 0 | 0.039 | -0.130 | 71.369 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | L | 241 | GLU | -1 | -0.984 | -0.834 | 73.575 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | L | 242 | LEU | 0 | 0.144 | -0.103 | 69.422 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | L | 242 | LEU | 0 | -0.083 | 0.106 | 66.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | L | 243 | PHE | 0 | 0.063 | -0.089 | 68.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | L | 243 | PHE | 0 | -0.042 | 0.093 | 66.749 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | L | 244 | HIS | 0 | 0.110 | -0.087 | 69.753 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | L | 244 | HIS | 0 | -0.075 | 0.109 | 74.380 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | L | 245 | TRP | 0 | 0.041 | -0.114 | 73.399 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | L | 245 | TRP | 0 | -0.092 | 0.112 | 73.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | L | 246 | THR | 0 | 0.024 | -0.108 | 69.424 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | L | 246 | THR | 0 | -0.054 | 0.044 | 68.556 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | L | 247 | THR | 0 | -0.042 | -0.079 | 69.904 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | L | 247 | THR | 0 | -0.010 | 0.050 | 68.507 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | L | 248 | ILE | 0 | 0.046 | -0.134 | 70.867 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | L | 248 | ILE | 0 | -0.084 | 0.108 | 71.759 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | L | 249 | ALA | 0 | 0.089 | -0.077 | 74.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | L | 249 | ALA | 0 | -0.070 | 0.109 | 76.197 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | L | 250 | THR | 0 | -0.003 | -0.089 | 76.119 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | L | 250 | THR | 0 | -0.066 | -0.004 | 80.015 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | L | 251 | PHE | 0 | 0.113 | -0.075 | 76.359 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | L | 251 | PHE | 0 | -0.118 | 0.074 | 72.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | L | 252 | ASP | 0 | 0.113 | -0.135 | 77.378 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | L | 252 | ASP | -1 | -0.997 | -0.827 | 81.421 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | L | 253 | ASP | 0 | 0.095 | -0.086 | 80.256 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | L | 253 | ASP | -1 | -0.889 | -0.768 | 79.321 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | L | 254 | LEU | 0 | 0.147 | -0.089 | 75.545 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | L | 254 | LEU | 0 | -0.138 | 0.098 | 72.129 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | L | 255 | ARG | 0 | 0.010 | -0.127 | 76.754 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | L | 255 | ARG | 1 | 0.809 | 1.056 | 74.953 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | L | 256 | GLY | 0 | 0.075 | -0.049 | 77.804 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | L | 257 | PHE | 0 | 0.110 | 0.015 | 77.782 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | L | 257 | PHE | 0 | -0.090 | 0.085 | 74.412 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | L | 258 | LEU | 0 | -0.006 | -0.110 | 75.349 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | L | 258 | LEU | 0 | -0.074 | 0.093 | 72.682 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | L | 259 | GLU | 0 | 0.143 | -0.112 | 76.212 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | L | 259 | GLU | -1 | -0.994 | -0.800 | 80.394 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | L | 260 | GLY | 0 | -0.090 | -0.147 | 78.641 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | L | 261 | THR | 0 | -0.041 | -0.024 | 74.105 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | L | 261 | THR | 0 | -0.104 | -0.023 | 73.145 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | L | 262 | LEU | 0 | 0.116 | -0.081 | 71.300 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | L | 262 | LEU | 0 | -0.097 | 0.092 | 69.538 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | L | 263 | ALA | 0 | 0.033 | -0.122 | 71.314 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | L | 263 | ALA | 0 | -0.068 | 0.078 | 70.401 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | L | 264 | GLU | 0 | 0.017 | -0.142 | 72.112 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | L | 264 | GLU | -1 | -0.902 | -0.773 | 76.770 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | L | 265 | SER | 0 | 0.035 | -0.093 | 75.469 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | L | 265 | SER | 0 | 0.000 | 0.077 | 75.645 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | L | 266 | LEU | 0 | 0.024 | -0.087 | 71.061 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | L | 266 | LEU | 0 | -0.088 | 0.089 | 68.702 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | L | 267 | PHE | 0 | 0.004 | -0.102 | 72.008 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | L | 267 | PHE | 0 | -0.081 | 0.084 | 67.423 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | L | 268 | ALA | 0 | 0.100 | -0.135 | 72.907 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | L | 268 | ALA | 0 | -0.028 | 0.140 | 77.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | L | 269 | GLY | 0 | 0.037 | -0.081 | 76.169 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | L | 270 | SER | 0 | -0.004 | -0.006 | 75.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | L | 270 | SER | 0 | -0.003 | 0.083 | 74.284 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | L | 271 | ASN | 0 | 0.124 | -0.044 | 75.114 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | L | 271 | ASN | 0 | -0.088 | 0.070 | 74.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | L | 272 | GLU | 0 | 0.152 | -0.114 | 71.060 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | L | 272 | GLU | -1 | -0.973 | -0.816 | 67.949 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | L | 273 | ALA | 0 | 0.114 | -0.116 | 70.463 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | L | 273 | ALA | 0 | -0.075 | 0.147 | 73.334 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | L | 274 | SER | 0 | 0.052 | -0.076 | 71.841 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | L | 274 | SER | 0 | -0.043 | 0.073 | 74.465 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | L | 275 | LYS | 0 | 0.133 | -0.098 | 70.065 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | L | 275 | LYS | 1 | 0.886 | 1.097 | 66.306 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | L | 276 | ALA | 0 | 0.076 | -0.146 | 67.287 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | L | 276 | ALA | 0 | -0.081 | 0.143 | 67.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | L | 277 | LEU | 0 | 0.096 | -0.107 | 67.527 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | L | 277 | LEU | 0 | -0.125 | 0.109 | 70.468 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | L | 278 | THR | 0 | 0.006 | -0.108 | 69.460 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | L | 278 | THR | 0 | -0.034 | 0.063 | 69.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | L | 279 | SER | 0 | -0.005 | -0.081 | 65.369 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | L | 279 | SER | 0 | -0.051 | 0.073 | 64.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | L | 280 | ALA | 0 | 0.113 | -0.097 | 64.714 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | L | 280 | ALA | 0 | -0.069 | 0.103 | 66.472 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | L | 281 | ARG | 0 | 0.084 | -0.107 | 65.663 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | L | 281 | ARG | 1 | 0.764 | 1.049 | 69.115 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | L | 282 | PHE | 0 | 0.075 | -0.073 | 65.435 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | L | 282 | PHE | 0 | -0.092 | 0.088 | 64.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | L | 283 | VAL | 0 | 0.102 | -0.098 | 61.714 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | L | 283 | VAL | 0 | -0.069 | 0.086 | 60.140 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | L | 284 | LEU | 0 | -0.025 | -0.115 | 61.863 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | L | 284 | LEU | 0 | -0.091 | 0.108 | 63.022 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | L | 285 | SER | 0 | 0.022 | -0.104 | 64.142 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | L | 285 | SER | 0 | -0.019 | 0.093 | 64.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | L | 286 | ASP | 0 | 0.105 | -0.096 | 60.984 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | L | 286 | ASP | -1 | -1.062 | -0.884 | 59.941 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | L | 287 | LYS | 0 | 0.011 | -0.132 | 59.487 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | L | 287 | LYS | 1 | 0.800 | 1.040 | 55.682 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | L | 288 | LEU | 0 | -0.055 | -0.137 | 60.399 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | L | 288 | LEU | 0 | -0.023 | 0.120 | 62.973 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | L | 289 | PRO | 0 | 0.092 | -0.049 | 62.530 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | L | 290 | GLU | 0 | 0.120 | -0.018 | 60.497 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | L | 290 | GLU | -1 | -0.875 | -0.768 | 59.191 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | L | 291 | HIS | 0 | 0.059 | -0.104 | 61.970 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | L | 291 | HIS | 0 | -0.115 | 0.040 | 58.481 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | L | 292 | VAL | 0 | 0.062 | -0.096 | 62.751 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | L | 292 | VAL | 0 | -0.128 | 0.075 | 66.177 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | L | 293 | THR | 0 | -0.021 | -0.080 | 65.095 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | L | 293 | THR | 0 | -0.037 | 0.045 | 63.263 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | L | 294 | MET | 0 | 0.059 | -0.092 | 62.735 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | L | 294 | MET | 0 | -0.131 | 0.115 | 59.307 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | L | 295 | PRO | 0 | 0.020 | -0.081 | 62.893 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | L | 296 | ASP | 0 | 0.139 | 0.011 | 64.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | L | 296 | ASP | -1 | -0.991 | -0.843 | 68.484 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | L | 297 | GLY | 0 | -0.072 | -0.142 | 65.753 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | L | 298 | ASP | 0 | 0.114 | 0.001 | 65.963 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | L | 298 | ASP | -1 | -0.989 | -0.834 | 66.129 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | L | 299 | PHE | 0 | 0.043 | -0.094 | 61.370 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | L | 299 | PHE | 0 | -0.127 | 0.073 | 56.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | L | 300 | SER | 0 | 0.095 | -0.090 | 60.259 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | L | 300 | SER | 0 | -0.043 | 0.110 | 60.261 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | L | 301 | ILE | 0 | 0.100 | -0.091 | 55.619 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | L | 301 | ILE | 0 | -0.068 | 0.098 | 53.544 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | L | 302 | ARG | 0 | 0.054 | -0.090 | 55.514 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | L | 302 | ARG | 1 | 0.743 | 0.988 | 56.897 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | L | 303 | SER | 0 | 0.102 | -0.060 | 56.442 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | L | 303 | SER | 0 | -0.031 | 0.088 | 60.312 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | L | 304 | TRP | 0 | 0.115 | -0.071 | 56.208 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | L | 304 | TRP | 0 | -0.121 | 0.086 | 49.992 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | L | 305 | LEU | 0 | -0.040 | -0.129 | 52.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | L | 305 | LEU | 0 | -0.092 | 0.085 | 50.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | L | 306 | GLU | 0 | 0.019 | -0.151 | 53.158 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | L | 306 | GLU | -1 | -0.961 | -0.802 | 55.942 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | L | 307 | ASP | 0 | 0.100 | -0.134 | 55.790 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | L | 307 | ASP | -1 | -0.959 | -0.795 | 56.969 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | L | 308 | PRO | 0 | -0.082 | -0.140 | 53.428 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | L | 309 | ASN | 0 | -0.030 | -0.017 | 53.230 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | L | 309 | ASN | 0 | -0.119 | 0.063 | 55.270 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | L | 310 | GLY | 0 | 0.118 | -0.049 | 55.113 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | L | 311 | GLY | 0 | -0.062 | -0.029 | 52.463 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | L | 312 | ASN | 0 | 0.055 | -0.010 | 49.576 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | L | 312 | ASN | 0 | -0.073 | 0.070 | 48.188 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | L | 313 | LEU | 0 | 0.151 | -0.098 | 50.077 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | L | 313 | LEU | 0 | -0.082 | 0.110 | 50.982 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | L | 314 | PHE | 0 | 0.000 | -0.100 | 49.698 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | L | 314 | PHE | 0 | -0.104 | 0.087 | 47.907 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | L | 315 | ILE | 0 | 0.121 | -0.074 | 49.986 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | L | 315 | ILE | 0 | -0.105 | 0.098 | 49.652 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | L | 316 | THR | 0 | 0.042 | -0.051 | 50.095 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | L | 316 | THR | 0 | -0.017 | 0.044 | 50.848 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | L | 317 | TRP | 0 | 0.054 | -0.094 | 51.849 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | L | 317 | TRP | 0 | -0.016 | 0.094 | 47.337 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | L | 318 | ARG | 0 | 0.120 | -0.075 | 51.837 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | L | 318 | ARG | 1 | 0.886 | 1.088 | 54.823 | 0.049 | 0.049 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | L | 319 | GLU | 0 | 0.078 | -0.161 | 50.202 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | L | 319 | GLU | -1 | -0.975 | -0.798 | 46.705 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | L | 320 | ASP | 0 | 0.025 | -0.115 | 51.398 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | L | 320 | ASP | -1 | -0.914 | -0.830 | 54.619 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | L | 321 | MET | 0 | -0.043 | -0.164 | 54.292 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | L | 321 | MET | 0 | -0.063 | 0.135 | 55.725 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | L | 322 | GLY | 0 | 0.002 | -0.096 | 51.652 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | L | 323 | PRO | 0 | -0.017 | -0.040 | 52.326 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | L | 324 | ALA | 0 | 0.141 | 0.017 | 53.968 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | L | 324 | ALA | 0 | -0.053 | 0.125 | 57.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | L | 325 | LEU | 0 | 0.079 | -0.105 | 55.318 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | L | 325 | LEU | 0 | -0.068 | 0.129 | 54.546 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | L | 326 | ARG | 0 | 0.087 | -0.087 | 52.117 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | L | 326 | ARG | 1 | 0.835 | 1.067 | 48.361 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | L | 327 | PRO | 0 | 0.020 | -0.067 | 52.729 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | L | 328 | LEU | 0 | 0.152 | 0.002 | 55.128 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | L | 328 | LEU | 0 | -0.093 | 0.130 | 56.416 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | L | 329 | ILE | 0 | 0.146 | -0.118 | 51.921 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | L | 329 | ILE | 0 | -0.113 | 0.124 | 49.980 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | L | 330 | SER | 0 | -0.003 | -0.126 | 50.347 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | L | 330 | SER | 0 | -0.065 | 0.058 | 50.811 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | L | 331 | ALA | 0 | 0.109 | -0.095 | 51.390 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | L | 331 | ALA | 0 | -0.046 | 0.142 | 55.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | L | 332 | TRP | 0 | 0.029 | -0.128 | 53.446 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | L | 332 | TRP | 0 | -0.048 | 0.103 | 52.833 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | L | 333 | VAL | 0 | 0.081 | -0.108 | 48.762 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | L | 333 | VAL | 0 | -0.053 | 0.121 | 46.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | L | 334 | ASP | 0 | 0.086 | -0.093 | 49.104 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | L | 334 | ASP | -1 | -0.788 | -0.732 | 50.472 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | L | 335 | VAL | 0 | 0.073 | -0.120 | 50.831 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | L | 335 | VAL | 0 | -0.035 | 0.126 | 54.137 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | L | 336 | VAL | 0 | 0.059 | -0.109 | 49.918 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | L | 336 | VAL | 0 | -0.094 | 0.115 | 48.302 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | L | 337 | CYS | 0 | 0.063 | -0.127 | 47.927 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | L | 337 | CYS | 0 | -0.168 | 0.074 | 47.031 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | L | 338 | THR | 0 | 0.118 | -0.075 | 48.785 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | L | 338 | THR | 0 | -0.012 | 0.102 | 51.650 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | L | 339 | SER | 0 | -0.089 | -0.087 | 51.650 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | L | 339 | SER | 0 | -0.005 | 0.084 | 52.974 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | L | 340 | ILE | 0 | 0.098 | -0.094 | 49.022 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | L | 340 | ILE | 0 | -0.085 | 0.100 | 46.994 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | L | 341 | LEU | 0 | 0.001 | -0.155 | 49.897 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | L | 341 | LEU | 0 | -0.104 | 0.097 | 47.697 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | L | 342 | SER | 0 | -0.008 | -0.082 | 50.748 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | L | 342 | SER | 0 | -0.010 | 0.072 | 55.168 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | L | 343 | LEU | 0 | 0.012 | -0.098 | 52.204 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | L | 343 | LEU | 0 | -0.097 | 0.095 | 50.212 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | L | 344 | PRO | 0 | 0.007 | -0.071 | 52.338 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | L | 345 | GLU | 0 | 0.183 | 0.002 | 50.086 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | L | 345 | GLU | -1 | -1.025 | -0.859 | 48.649 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | L | 346 | GLU | 0 | 0.110 | -0.101 | 49.263 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | L | 346 | GLU | -1 | -1.058 | -0.849 | 50.132 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | L | 347 | PRO | 0 | 0.010 | -0.119 | 45.531 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | L | 348 | LYS | 0 | 0.055 | 0.019 | 44.819 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | L | 348 | LYS | 1 | 0.871 | 1.065 | 47.739 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | L | 349 | ARG | 0 | 0.071 | -0.130 | 46.029 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | L | 349 | ARG | 1 | 0.841 | 1.091 | 47.269 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | L | 350 | ARG | 0 | 0.003 | -0.115 | 43.175 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | L | 350 | ARG | 1 | 0.784 | 1.011 | 40.672 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | L | 351 | LEU | 0 | 0.130 | -0.103 | 44.168 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | L | 351 | LEU | 0 | -0.115 | 0.127 | 46.039 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | L | 352 | TRP | 0 | 0.072 | -0.095 | 42.117 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | L | 352 | TRP | 0 | -0.074 | 0.068 | 36.001 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | L | 353 | LEU | 0 | 0.130 | -0.094 | 42.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | L | 353 | LEU | 0 | -0.086 | 0.109 | 42.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | L | 354 | PHE | 0 | 0.075 | -0.083 | 41.215 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | L | 354 | PHE | 0 | -0.112 | 0.075 | 38.541 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | L | 355 | ILE | 0 | 0.122 | -0.095 | 41.350 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | L | 355 | ILE | 0 | -0.101 | 0.094 | 41.380 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | L | 356 | ASP | 0 | 0.136 | -0.073 | 40.830 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | L | 356 | ASP | -1 | -0.970 | -0.873 | 42.172 | -0.070 | -0.070 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | L | 357 | GLU | 0 | 0.115 | -0.085 | 40.133 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | L | 357 | GLU | -1 | -0.982 | -0.830 | 39.373 | -0.087 | -0.087 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | L | 358 | LEU | 0 | 0.097 | -0.120 | 40.398 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | L | 358 | LEU | 0 | -0.125 | 0.080 | 39.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | L | 359 | ALA | 0 | 0.054 | -0.114 | 41.323 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | L | 359 | ALA | 0 | -0.058 | 0.102 | 41.077 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | L | 360 | SER | 0 | -0.035 | -0.093 | 42.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | L | 360 | SER | 0 | -0.020 | 0.077 | 44.354 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | L | 361 | LEU | 0 | 0.067 | -0.107 | 45.602 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | L | 361 | LEU | 0 | -0.038 | 0.113 | 45.371 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | L | 362 | GLU | 0 | 0.011 | -0.139 | 47.296 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | L | 362 | GLU | -1 | -0.861 | -0.811 | 51.109 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | L | 363 | LYS | 0 | 0.131 | -0.108 | 47.401 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | L | 363 | LYS | 1 | 0.729 | 1.076 | 47.106 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | L | 364 | LEU | 0 | 0.063 | -0.134 | 47.378 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | L | 364 | LEU | 0 | -0.126 | 0.099 | 45.979 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | L | 365 | ALA | 0 | 0.090 | -0.107 | 47.855 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | L | 365 | ALA | 0 | -0.048 | 0.128 | 51.749 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | L | 366 | SER | 0 | 0.015 | -0.115 | 48.993 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | L | 366 | SER | 0 | -0.063 | 0.049 | 49.667 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | L | 367 | LEU | 0 | 0.110 | -0.122 | 44.962 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | L | 367 | LEU | 0 | -0.111 | 0.116 | 42.522 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | L | 368 | ALA | 0 | 0.169 | -0.087 | 42.986 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | L | 368 | ALA | 0 | -0.075 | 0.123 | 44.007 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | L | 369 | ASP | 0 | 0.035 | -0.134 | 43.284 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | L | 369 | ASP | -1 | -0.940 | -0.834 | 47.307 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | L | 370 | ALA | 0 | 0.085 | -0.107 | 44.803 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | L | 370 | ALA | 0 | -0.036 | 0.135 | 45.105 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | L | 371 | LEU | 0 | -0.039 | -0.165 | 40.709 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | L | 371 | LEU | 0 | -0.046 | 0.127 | 39.374 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | L | 372 | THR | 0 | -0.086 | -0.099 | 39.868 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | L | 372 | THR | 0 | -0.040 | 0.076 | 40.625 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | L | 373 | LYS | 0 | 0.029 | -0.145 | 41.693 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | L | 373 | LYS | 1 | 0.860 | 1.089 | 44.963 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | L | 374 | GLY | 0 | 0.101 | -0.055 | 43.353 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | L | 375 | ARG | 0 | 0.160 | 0.023 | 41.562 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | L | 375 | ARG | 1 | 0.819 | 1.054 | 38.650 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | L | 376 | LYS | 0 | -0.028 | -0.157 | 42.388 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | L | 376 | LYS | 1 | 0.918 | 1.100 | 44.465 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | L | 377 | ALA | 0 | 0.076 | -0.107 | 45.609 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | L | 377 | ALA | 0 | -0.003 | 0.164 | 46.999 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | L | 378 | GLY | 0 | -0.068 | -0.128 | 43.071 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | L | 379 | LEU | 0 | 0.136 | -0.031 | 43.248 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | L | 379 | LEU | 0 | -0.118 | 0.125 | 42.784 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | L | 380 | ARG | 0 | 0.009 | -0.108 | 39.383 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | L | 380 | ARG | 1 | 0.729 | 0.993 | 38.687 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | L | 381 | VAL | 0 | 0.095 | -0.107 | 39.087 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | L | 381 | VAL | 0 | -0.040 | 0.115 | 39.361 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | L | 382 | VAL | 0 | 0.056 | -0.121 | 36.820 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | L | 382 | VAL | 0 | -0.092 | 0.111 | 35.793 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | L | 383 | ALA | 0 | 0.100 | -0.085 | 36.813 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | L | 383 | ALA | 0 | -0.059 | 0.111 | 37.810 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | L | 384 | GLY | 0 | -0.042 | -0.099 | 36.091 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | L | 385 | LEU | 0 | 0.077 | -0.018 | 35.623 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | L | 385 | LEU | 0 | -0.084 | 0.124 | 35.016 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | L | 386 | GLN | 0 | 0.139 | -0.063 | 35.040 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | L | 386 | GLN | 0 | -0.134 | 0.091 | 36.516 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | L | 387 | SER | 0 | 0.094 | -0.083 | 34.314 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | L | 387 | SER | 0 | -0.032 | 0.078 | 35.863 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | L | 388 | THR | 0 | 0.008 | -0.093 | 34.813 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | L | 388 | THR | 0 | -0.051 | 0.030 | 33.044 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | L | 389 | SER | 0 | 0.060 | -0.054 | 35.783 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | L | 389 | SER | 0 | -0.040 | 0.069 | 38.726 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | L | 390 | GLN | 0 | 0.131 | -0.073 | 39.011 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | L | 390 | GLN | 0 | -0.090 | 0.092 | 39.602 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | L | 391 | LEU | 0 | 0.175 | -0.074 | 39.527 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | L | 391 | LEU | 0 | -0.100 | 0.096 | 38.033 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | L | 392 | ASP | 0 | 0.057 | -0.139 | 40.022 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | L | 392 | ASP | -1 | -0.915 | -0.818 | 38.244 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | L | 393 | ASP | 0 | 0.041 | -0.100 | 41.161 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | L | 393 | ASP | -1 | -0.994 | -0.850 | 43.864 | -0.061 | -0.061 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | L | 394 | VAL | 0 | 0.027 | -0.113 | 43.979 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | L | 394 | VAL | 0 | -0.103 | 0.088 | 44.234 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | L | 395 | TYR | 0 | 0.082 | -0.092 | 43.860 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | L | 395 | TYR | 0 | -0.071 | 0.075 | 42.866 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | L | 396 | GLY | 0 | 0.075 | -0.043 | 43.928 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | L | 397 | VAL | 0 | 0.113 | -0.002 | 40.280 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | L | 397 | VAL | 0 | -0.097 | 0.104 | 38.757 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | L | 398 | LYS | 0 | 0.041 | -0.124 | 39.546 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | L | 398 | LYS | 1 | 0.929 | 1.093 | 38.711 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | L | 399 | GLU | 0 | 0.136 | -0.132 | 40.421 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | L | 399 | GLU | -1 | -0.945 | -0.789 | 43.933 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | L | 400 | ALA | 0 | 0.101 | -0.127 | 39.988 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | L | 400 | ALA | 0 | -0.054 | 0.146 | 39.255 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | L | 401 | GLN | 0 | 0.006 | -0.130 | 36.376 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | L | 401 | GLN | 0 | -0.086 | 0.094 | 34.867 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | L | 402 | THR | 0 | -0.012 | -0.114 | 36.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | L | 402 | THR | 0 | -0.035 | 0.097 | 39.888 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | L | 403 | LEU | 0 | 0.112 | -0.103 | 38.177 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | L | 403 | LEU | 0 | -0.096 | 0.132 | 39.466 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | L | 404 | ARG | 0 | 0.097 | -0.094 | 35.012 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | L | 404 | ARG | 1 | 0.813 | 1.035 | 33.412 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | L | 405 | ALA | 0 | 0.074 | -0.110 | 33.415 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | L | 405 | ALA | 0 | -0.089 | 0.116 | 34.512 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | L | 406 | SER | 0 | -0.096 | -0.134 | 34.336 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | L | 406 | SER | 0 | -0.010 | 0.078 | 37.971 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | L | 407 | PHE | 0 | 0.013 | -0.111 | 34.233 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | L | 407 | PHE | 0 | -0.107 | 0.100 | 33.659 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | L | 408 | ARG | 0 | 0.079 | -0.067 | 31.009 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | L | 408 | ARG | 1 | 0.845 | 1.031 | 29.475 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | L | 409 | SER | 0 | -0.001 | -0.078 | 28.627 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | L | 409 | SER | 0 | -0.029 | 0.061 | 29.481 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | L | 410 | LEU | 0 | 0.167 | -0.075 | 27.694 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | L | 410 | LEU | 0 | -0.104 | 0.125 | 25.903 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | L | 411 | VAL | 0 | 0.059 | -0.124 | 26.850 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | L | 411 | VAL | 0 | -0.051 | 0.106 | 27.706 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | L | 412 | VAL | 0 | 0.064 | -0.095 | 25.953 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | L | 412 | VAL | 0 | -0.079 | 0.094 | 24.959 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | L | 413 | LEU | 0 | 0.047 | -0.160 | 26.025 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | L | 413 | LEU | 0 | -0.129 | 0.141 | 28.417 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | L | 414 | GLY | 0 | 0.101 | -0.059 | 27.128 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | L | 415 | GLY | 0 | 0.023 | -0.006 | 27.817 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | L | 416 | SER | 0 | 0.121 | 0.063 | 29.844 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | L | 416 | SER | 0 | 0.026 | 0.107 | 33.326 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | L | 417 | ARG | 0 | 0.108 | -0.076 | 29.564 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | L | 417 | ARG | 1 | 0.873 | 1.062 | 27.200 | 0.254 | 0.254 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | L | 418 | THR | 0 | -0.081 | -0.126 | 30.452 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | L | 418 | THR | 0 | -0.063 | 0.048 | 34.539 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | L | 419 | ASP | 0 | 0.096 | -0.109 | 32.260 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | L | 419 | ASP | -1 | -0.856 | -0.760 | 32.824 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | L | 420 | PRO | 0 | -0.029 | -0.118 | 29.348 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | L | 421 | LYS | 0 | 0.072 | 0.009 | 29.152 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | L | 421 | LYS | 1 | 0.927 | 1.084 | 32.832 | 0.122 | 0.122 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | L | 422 | THR | 0 | 0.132 | -0.052 | 30.562 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | L | 422 | THR | 0 | -0.058 | 0.062 | 30.897 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | L | 423 | ASN | 0 | 0.097 | -0.068 | 27.414 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | L | 423 | ASN | 0 | -0.159 | 0.043 | 26.352 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | L | 424 | GLU | 0 | 0.131 | -0.114 | 25.791 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | L | 424 | GLU | -1 | -0.903 | -0.777 | 25.259 | -0.198 | -0.198 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | L | 425 | ASP | 0 | 0.104 | -0.105 | 26.094 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | L | 425 | ASP | -1 | -0.913 | -0.794 | 29.952 | -0.116 | -0.116 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | L | 426 | MET | 0 | 0.050 | -0.084 | 26.644 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | L | 426 | MET | 0 | -0.109 | 0.112 | 26.326 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | L | 427 | SER | 0 | 0.076 | -0.063 | 22.586 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | L | 427 | SER | 0 | -0.061 | 0.033 | 21.125 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | L | 428 | LEU | 0 | 0.019 | -0.180 | 22.116 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | L | 428 | LEU | 0 | -0.117 | 0.143 | 23.683 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | L | 429 | SER | 0 | 0.019 | -0.099 | 23.740 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | L | 429 | SER | 0 | -0.076 | 0.052 | 26.093 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | L | 430 | LEU | 0 | 0.017 | -0.120 | 21.461 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | L | 430 | LEU | 0 | -0.118 | 0.101 | 20.381 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | L | 431 | GLY | 0 | 0.015 | -0.073 | 20.350 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | L | 432 | GLU | 0 | 0.093 | -0.048 | 17.309 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | L | 432 | GLU | -1 | -0.883 | -0.788 | 17.553 | -0.146 | -0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | L | 433 | HIS | 0 | -0.029 | -0.069 | 13.783 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | L | 433 | HIS | 1 | 0.780 | 0.974 | 10.739 | 0.409 | 0.409 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | L | 434 | GLU | 0 | 0.127 | -0.098 | 13.520 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | L | 434 | GLU | -1 | -0.952 | -0.831 | 13.962 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | L | 435 | VAL | 0 | -0.034 | -0.165 | 9.117 | 0.155 | 0.155 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | L | 435 | VAL | 0 | -0.059 | 0.162 | 7.154 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | L | 436 | GLU | 0 | 0.122 | -0.083 | 8.029 | -0.336 | -0.336 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | L | 436 | GLU | -1 | -0.943 | -0.849 | 7.742 | 1.427 | 1.427 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | L | 437 | ARG | 0 | 0.078 | -0.110 | 4.998 | 0.953 | 0.953 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | L | 437 | ARG | 1 | 0.737 | 1.046 | 4.349 | 1.835 | 1.889 | -0.001 | -0.014 | -0.039 | 0.000 |
684 | L | 438 | ASP | 0 | 0.128 | -0.100 | 4.301 | 0.256 | 0.299 | -0.002 | -0.014 | -0.027 | 0.000 |
685 | L | 438 | ASP | -1 | -0.980 | -0.847 | 3.445 | 1.374 | 1.485 | 0.003 | -0.043 | -0.072 | 0.000 |
686 | L | 439 | ARG | 0 | 0.094 | -0.130 | 5.496 | -1.192 | -1.192 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | L | 439 | ARG | 1 | 0.826 | 1.099 | 9.717 | 0.720 | 0.720 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | L | 440 | TYR | 0 | 0.068 | -0.107 | 7.722 | 0.378 | 0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | L | 440 | TYR | 0 | -0.098 | 0.079 | 2.988 | -2.277 | -1.293 | 0.167 | -0.500 | -0.651 | -0.003 |
690 | L | 441 | SER | 0 | 0.048 | -0.072 | 8.907 | -0.096 | -0.096 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | L | 441 | SER | 0 | -0.006 | 0.086 | 13.001 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | L | 442 | LYS | 0 | -0.049 | -0.083 | 12.614 | 0.072 | 0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | L | 442 | LYS | 1 | 1.014 | 1.000 | 12.220 | 0.606 | 0.606 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | L | 452 | ARG | 0 | 0.151 | 0.035 | 8.322 | -0.153 | -0.153 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | L | 452 | ARG | 1 | 0.794 | 1.022 | 7.155 | -1.225 | -1.225 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | L | 453 | ALA | 0 | 0.094 | -0.115 | 8.858 | 0.174 | 0.174 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | L | 453 | ALA | 0 | -0.065 | 0.137 | 10.781 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | L | 454 | LEU | 0 | 0.081 | -0.104 | 8.231 | -0.241 | -0.241 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | L | 454 | LEU | 0 | -0.126 | 0.085 | 6.408 | 0.124 | 0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | L | 455 | GLU | 0 | -0.003 | -0.133 | 9.066 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | L | 455 | GLU | -1 | -0.938 | -0.808 | 9.894 | -0.497 | -0.497 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | L | 456 | ARG | 0 | 0.094 | -0.143 | 9.935 | 0.077 | 0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | L | 456 | ARG | 1 | 0.857 | 1.091 | 11.720 | -0.452 | -0.452 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | L | 457 | VAL | 0 | 0.064 | -0.118 | 11.456 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | L | 457 | VAL | 0 | -0.055 | 0.120 | 10.356 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | L | 458 | ARG | 0 | 0.119 | -0.103 | 12.534 | 0.043 | 0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | L | 458 | ARG | 1 | 0.789 | 1.060 | 16.581 | 0.104 | 0.104 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | L | 459 | GLU | 0 | 0.056 | -0.123 | 14.311 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | L | 459 | GLU | -1 | -0.876 | -0.776 | 10.890 | -0.892 | -0.892 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | L | 460 | ARG | 0 | 0.088 | -0.123 | 15.389 | 0.055 | 0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | L | 460 | ARG | 1 | 0.776 | 1.031 | 17.853 | 0.209 | 0.209 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | L | 461 | VAL | 0 | 0.055 | -0.107 | 14.559 | -0.092 | -0.092 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | L | 461 | VAL | 0 | -0.112 | 0.103 | 14.383 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | L | 462 | VAL | 0 | 0.074 | -0.113 | 15.580 | -0.088 | -0.088 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | L | 462 | VAL | 0 | -0.073 | 0.116 | 17.977 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | L | 463 | MET | 0 | 0.111 | -0.103 | 18.010 | 0.065 | 0.065 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | L | 463 | MET | 0 | -0.121 | 0.089 | 17.194 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | L | 464 | PRO | 0 | 0.076 | -0.071 | 19.594 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | L | 465 | ALA | 0 | 0.113 | -0.002 | 22.229 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | L | 465 | ALA | 0 | -0.059 | 0.111 | 21.246 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | L | 466 | GLU | 0 | -0.006 | -0.125 | 19.676 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | L | 466 | GLU | -1 | -0.864 | -0.796 | 16.579 | -0.598 | -0.598 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | L | 467 | ILE | 0 | 0.072 | -0.103 | 20.967 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | L | 467 | ILE | 0 | -0.117 | 0.105 | 22.550 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | L | 468 | ALA | 0 | 0.115 | -0.074 | 24.060 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | L | 468 | ALA | 0 | -0.083 | 0.093 | 25.908 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | L | 469 | ASN | 0 | -0.014 | -0.094 | 23.849 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | L | 469 | ASN | 0 | -0.106 | 0.062 | 22.569 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | L | 470 | LEU | 0 | 0.107 | -0.116 | 23.898 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | L | 470 | LEU | 0 | -0.138 | 0.121 | 22.826 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | L | 471 | PRO | 0 | -0.063 | -0.106 | 23.856 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | L | 472 | ASP | 0 | 0.174 | 0.008 | 26.841 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | L | 472 | ASP | -1 | -0.932 | -0.831 | 31.316 | -0.181 | -0.181 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | L | 473 | LEU | 0 | 0.004 | -0.127 | 28.770 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | L | 473 | LEU | 0 | -0.071 | 0.118 | 29.826 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | L | 474 | THR | 0 | 0.022 | -0.096 | 25.121 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | L | 474 | THR | 0 | -0.007 | 0.067 | 23.046 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | L | 475 | ALA | 0 | 0.088 | -0.097 | 25.103 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | L | 475 | ALA | 0 | -0.039 | 0.101 | 26.649 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | L | 476 | TYR | 0 | -0.009 | -0.118 | 22.383 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | L | 476 | TYR | 0 | -0.048 | 0.104 | 18.519 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | L | 477 | VAL | 0 | 0.106 | -0.122 | 22.757 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | L | 477 | VAL | 0 | -0.115 | 0.119 | 24.031 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | L | 478 | GLY | 0 | 0.020 | -0.099 | 22.721 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | L | 479 | PHE | 0 | 0.084 | 0.028 | 24.028 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | L | 479 | PHE | 0 | -0.106 | 0.062 | 24.974 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | L | 480 | ALA | 0 | 0.192 | -0.076 | 25.441 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | L | 480 | ALA | 0 | -0.092 | 0.109 | 29.475 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | L | 481 | GLY | 0 | -0.092 | -0.140 | 26.570 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | L | 482 | ASN | 0 | 0.141 | 0.059 | 22.754 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | L | 482 | ASN | 0 | -0.132 | 0.057 | 21.004 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | L | 483 | ARG | 0 | 0.004 | -0.163 | 21.427 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | L | 483 | ARG | 1 | 0.851 | 1.079 | 22.707 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | L | 484 | PRO | 0 | -0.038 | -0.093 | 16.948 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | L | 485 | ILE | 0 | 0.145 | 0.022 | 18.051 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
756 | L | 485 | ILE | 0 | -0.054 | 0.109 | 17.615 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
757 | L | 486 | ALA | 0 | 0.079 | -0.115 | 17.865 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
758 | L | 486 | ALA | 0 | -0.085 | 0.093 | 19.196 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
759 | L | 487 | LYS | 0 | 0.175 | -0.085 | 18.748 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
760 | L | 487 | LYS | 1 | 0.826 | 1.101 | 18.720 | 0.442 | 0.442 | 0.000 | 0.000 | 0.000 | 0.000 |
761 | L | 488 | VAL | 0 | -0.015 | -0.150 | 20.475 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
762 | L | 488 | VAL | 0 | -0.129 | 0.108 | 22.059 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
763 | L | 489 | PRO | 0 | -0.003 | -0.094 | 23.218 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
764 | L | 490 | LEU | 0 | 0.092 | -0.026 | 26.022 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
765 | L | 490 | LEU | 0 | -0.113 | 0.126 | 28.989 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
766 | L | 491 | GLU | 0 | 0.136 | -0.094 | 29.685 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
767 | L | 491 | GLU | -1 | -1.016 | -0.850 | 31.345 | -0.090 | -0.090 | 0.000 | 0.000 | 0.000 | 0.000 |
768 | L | 492 | ILE | 0 | 0.045 | -0.139 | 32.095 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
769 | L | 492 | ILE | 0 | -0.074 | 0.115 | 33.885 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
770 | L | 493 | LYS | 0 | 0.145 | -0.082 | 35.495 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
771 | L | 493 | LYS | 1 | 0.828 | 1.071 | 36.591 | 0.062 | 0.062 | 0.000 | 0.000 | 0.000 | 0.000 |
772 | L | 494 | GLN | 0 | -0.005 | -0.128 | 37.720 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
773 | L | 494 | GLN | 0 | -0.016 | 0.131 | 39.865 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
774 | L | 495 | PHE | 0 | 0.018 | -0.129 | 41.395 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
775 | L | 495 | PHE | 0 | -0.075 | 0.092 | 39.135 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
776 | L | 496 | ALA | 0 | 0.191 | -0.070 | 44.019 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
777 | L | 496 | ALA | 0 | -0.059 | 0.119 | 48.027 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
778 | L | 497 | ASN | 0 | 0.040 | -0.088 | 47.750 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
779 | L | 497 | ASN | 0 | -0.050 | 0.082 | 48.873 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
780 | L | 498 | ARG | 0 | 0.135 | -0.091 | 50.171 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
781 | L | 498 | ARG | 1 | 0.842 | 1.060 | 48.646 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
782 | L | 499 | GLN | 0 | 0.036 | -0.098 | 52.020 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
783 | L | 499 | GLN | 0 | -0.106 | 0.109 | 52.924 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
784 | L | 500 | PRO | 0 | 0.004 | -0.080 | 53.167 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
785 | L | 501 | ALA | 0 | 0.206 | 0.002 | 52.414 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
786 | L | 501 | ALA | 0 | -0.081 | 0.136 | 51.718 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
787 | L | 502 | PHE | 0 | 0.055 | -0.114 | 53.249 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
788 | L | 502 | PHE | 0 | -0.089 | 0.103 | 55.087 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
789 | L | 503 | VAL | 0 | 0.039 | -0.112 | 56.259 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
790 | L | 503 | VAL | 0 | -0.080 | 0.079 | 58.249 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
791 | L | 504 | GLU | 0 | 0.110 | -0.074 | 59.851 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
792 | L | 504 | GLU | -1 | -1.010 | -0.850 | 62.832 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
793 | L | 505 | GLY | 0 | 0.034 | -0.082 | 61.497 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
794 | L | 506 | THR | 0 | -0.142 | -0.084 | 62.624 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
795 | L | 506 | THR | 0 | 0.087 | 0.063 | 63.286 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |