FMODB ID: P5N3Z
Calculation Name: 4U94-A-Xray28
Preferred Name:
Target Type:
Ligand Name: magnesium ion
ligand 3-letter code: MG
PDB ID: 4U94
Chain ID: A
UniProt ID: A1TH50
Base Structure: X-ray
Registration Date: 2018-07-26
Reference:
Modeling method
Optimization | MOE:Amber10:EHT |
---|---|
Restraint | OptH |
Protonation | MOE:Protonate 3D |
Complement | Missing residues were capped by ACE, NME. Missing atoms were corrected by Structure prepareation by MOE. |
Water | Apo structure with with a 3 angstrom solvent shell. |
Procedure | Auto-FMO protocol ver. 1.20180227 |
FMO calculation
FMO method | FMO2-MP2/6-31G(d) |
---|---|
Fragmentation | Auto |
Number of fragment | 818 |
LigandCharge | MG2=2 |
Software | MIZUHO/ABINIT-MP 3.0 |
Total energy (hartree)
FMO2-HF: Electronic energy | -10066976.619358 |
---|---|
FMO2-HF: Nuclear repulsion | 9867706.148912 |
FMO2-HF: Total energy | -199270.470446 |
FMO2-MP2: Total energy | -199849.192546 |
3D Structure
Ligand structure
Ligand Interaction
Ligand binding energy
"IFIE [kcal/mol] | PIEDA [kcal/mol] | Charge transfer value [e] | |||
---|---|---|---|---|---|
IFIE SUMIFIE SUM at MP2 level. | ESElectro static interaction energy. | EXExchange-repulsion energy. | CT+mixCharge transfer and mixing terms energy. | DI(MP2)Dispersion energy. | q(I=>J)Charge transfer value from I to J fragments. |
N/A | N/A | N/A | N/A | N/A | N/A |
Interactive mode: IFIE and PIEDA for fragment #1(A:1:ACE)
Summations of interaction energy for
fragment #1(A:1:ACE)
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. |
-0.044 | 1.153 | -0.016 | -0.479 | -0.701 | -0.001 |
Interaction energy analysis for fragmet #1(A:1:ACE)
frag_NumFragment number. | ChainChain species. | Res #Residue number. | RES3-letter code of amino acid residue, ligand and solvent molecule. | FCHARGEFormal charge [e]. | q_MullikenFragment charge evaluated by Mulliken charge [e]. | q_NPAFragment charge evaluated by natural population analysis(NPA) charge [e]. | DISTDistance from Ligand [Å]. | TotalIFIE at MP2 level [kcal/mol]. | ESElectro static interaction energy by PIEDA [kcal/mol]. | EXExchange-repulsion energy by PIEDA [kcal/mol]. | CT+mixCharge transfer and mixing terms energy by PIEDA [kcal/mol]. | DI(MP2)Dispersion energy by PIEDA [kcal/mol]. | q(I=>J)Charge transfer value from I to J fragmens [e]. |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3 | A | 3 | LEU | 0 | -0.001 | 0.024 | 3.835 | 0.703 | 1.732 | -0.013 | -0.449 | -0.567 | -0.001 |
4 | A | 4 | ALA | 0 | 0.028 | 0.031 | 6.295 | -0.171 | -0.171 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 5 | PHE | 0 | 0.042 | 0.008 | 4.677 | 0.172 | 0.229 | -0.001 | -0.006 | -0.050 | 0.000 |
6 | A | 6 | GLY | 0 | 0.036 | 0.013 | 9.907 | 0.110 | 0.110 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 7 | ASP | -1 | -0.892 | -0.950 | 12.951 | -0.290 | -0.290 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 8 | TRP | 0 | -0.025 | -0.006 | 12.499 | 0.058 | 0.058 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 9 | ILE | 0 | -0.040 | -0.032 | 13.671 | 0.044 | 0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 10 | VAL | 0 | 0.003 | -0.005 | 15.476 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 11 | HIS | 0 | -0.052 | -0.019 | 18.152 | 0.029 | 0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 12 | ARG | 1 | 0.778 | 0.896 | 16.821 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 13 | ARG | 1 | 0.891 | 0.941 | 20.151 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 14 | TRP | 0 | -0.048 | -0.014 | 15.102 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 15 | TYR | 0 | 0.001 | 0.011 | 17.710 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 16 | ALA | 0 | 0.004 | 0.000 | 20.421 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 17 | GLY | 0 | 0.042 | 0.016 | 21.488 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 18 | ARG | 1 | 0.894 | 0.947 | 22.172 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 19 | SER | 0 | -0.023 | -0.022 | 24.900 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 20 | ARG | 1 | 0.720 | 0.854 | 22.825 | 0.079 | 0.079 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 21 | GLU | -1 | -0.760 | -0.837 | 21.351 | -0.165 | -0.165 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 22 | LEU | 0 | -0.011 | 0.008 | 14.898 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 23 | VAL | 0 | -0.019 | -0.008 | 16.737 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 24 | SER | 0 | 0.025 | 0.009 | 12.510 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 25 | ALA | 0 | -0.010 | -0.013 | 11.555 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 26 | GLU | -1 | -0.826 | -0.891 | 7.643 | -1.326 | -1.326 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 27 | PRO | 0 | -0.045 | -0.023 | 4.098 | 0.135 | 0.211 | -0.001 | -0.014 | -0.061 | 0.000 |
28 | A | 28 | ALA | 0 | -0.013 | 0.015 | 7.319 | -0.054 | -0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 29 | VAL | 0 | -0.012 | -0.012 | 9.633 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 30 | VAL | 0 | 0.020 | 0.007 | 4.459 | -0.068 | -0.033 | -0.001 | -0.010 | -0.023 | 0.000 |
31 | A | 31 | THR | 0 | -0.005 | -0.007 | 7.860 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 32 | PRO | 0 | 0.010 | 0.026 | 9.430 | -0.052 | -0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 33 | LEU | 0 | -0.025 | -0.007 | 11.237 | -0.113 | -0.113 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 34 | ARG | 1 | 0.808 | 0.888 | 13.402 | -0.341 | -0.341 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 35 | ASP | -1 | -0.894 | -0.936 | 12.749 | 0.426 | 0.426 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 36 | ASP | -1 | -0.841 | -0.909 | 11.687 | 0.422 | 0.422 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 37 | LEU | 0 | -0.050 | -0.032 | 11.996 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 38 | ASP | -1 | -0.740 | -0.843 | 6.926 | 1.429 | 1.429 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 39 | HIS | 0 | -0.005 | -0.006 | 9.683 | -0.071 | -0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 40 | ILE | 0 | 0.003 | -0.004 | 5.661 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 41 | LEU | 0 | -0.033 | -0.006 | 9.435 | -0.094 | -0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 42 | LEU | 0 | 0.001 | -0.001 | 8.488 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 43 | ASP | -1 | -0.703 | -0.832 | 10.790 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 44 | VAL | 0 | -0.021 | -0.008 | 12.511 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 45 | THR | 0 | 0.012 | 0.013 | 14.951 | 0.050 | 0.050 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 46 | TYR | 0 | 0.012 | 0.012 | 17.260 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 47 | THR | 0 | 0.017 | -0.004 | 20.546 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 48 | ASP | -1 | -0.816 | -0.892 | 23.004 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 49 | GLY | 0 | 0.013 | 0.023 | 21.710 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 50 | THR | 0 | -0.097 | -0.046 | 21.612 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 51 | VAL | 0 | 0.055 | 0.019 | 16.310 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 52 | GLU | -1 | -0.890 | -0.893 | 17.860 | -0.043 | -0.043 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 53 | ARG | 1 | 0.813 | 0.879 | 14.375 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 54 | TYR | 0 | -0.046 | -0.072 | 14.122 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 55 | GLN | 0 | -0.005 | 0.005 | 13.343 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 56 | LEU | 0 | -0.028 | -0.008 | 9.654 | -0.034 | -0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 57 | VAL | 0 | 0.003 | 0.000 | 11.669 | 0.056 | 0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 58 | VAL | 0 | 0.016 | 0.016 | 7.830 | -0.075 | -0.075 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 59 | ARG | 1 | 0.859 | 0.934 | 10.625 | -0.159 | -0.159 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 60 | TRP | 0 | -0.027 | -0.033 | 4.980 | -0.124 | -0.124 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 61 | ALA | 0 | -0.031 | -0.017 | 11.565 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 62 | ASP | -1 | -0.821 | -0.895 | 13.435 | 0.265 | 0.265 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 63 | SER | 0 | 0.000 | 0.013 | 15.007 | -0.037 | -0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 64 | PRO | 0 | -0.008 | -0.008 | 17.660 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 65 | VAL | 0 | -0.030 | -0.002 | 18.194 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 66 | ALA | 0 | 0.002 | -0.015 | 20.331 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 67 | GLY | 0 | -0.026 | -0.013 | 23.132 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 68 | PHE | 0 | -0.032 | 0.006 | 17.800 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 69 | GLY | 0 | 0.046 | 0.022 | 20.672 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 70 | GLU | -1 | -0.786 | -0.904 | 19.558 | -0.063 | -0.063 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 71 | ALA | 0 | 0.002 | 0.007 | 18.374 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 72 | ALA | 0 | -0.030 | -0.011 | 16.981 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 73 | THR | 0 | 0.000 | -0.008 | 14.913 | 0.036 | 0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 74 | ILE | 0 | -0.021 | 0.005 | 9.563 | -0.022 | -0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 75 | GLY | 0 | 0.052 | 0.018 | 10.426 | -0.084 | -0.084 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 76 | THR | 0 | -0.034 | -0.054 | 10.114 | 0.074 | 0.074 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 77 | ALA | 0 | 0.017 | 0.008 | 5.304 | -0.160 | -0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 78 | LEU | 0 | -0.001 | 0.010 | 7.313 | 0.166 | 0.166 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 79 | GLY | 0 | -0.009 | -0.012 | 6.251 | 0.137 | 0.137 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 80 | PRO | 0 | -0.035 | -0.012 | 7.990 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 81 | GLN | 0 | -0.014 | -0.021 | 10.687 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 82 | GLY | 0 | 0.028 | 0.031 | 11.714 | -0.042 | -0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 83 | GLU | -1 | -0.860 | -0.917 | 10.795 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 84 | ARG | 1 | 0.946 | 0.982 | 6.814 | -0.798 | -0.798 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 85 | ILE | 0 | -0.002 | 0.004 | 10.421 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 86 | ALA | 0 | -0.007 | 0.004 | 8.343 | 0.083 | 0.083 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 87 | TYR | 0 | 0.033 | -0.024 | 10.458 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 88 | ASP | -1 | -0.737 | -0.835 | 12.567 | 0.138 | 0.138 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 89 | ALA | 0 | 0.048 | 0.000 | 13.852 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 90 | LEU | 0 | -0.029 | -0.009 | 15.585 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 91 | PHE | 0 | -0.065 | -0.032 | 18.246 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 92 | ASP | -1 | -0.765 | -0.871 | 18.077 | 0.160 | 0.160 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 93 | PRO | 0 | -0.004 | -0.016 | 20.060 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 94 | ASP | -1 | -0.786 | -0.866 | 20.814 | 0.129 | 0.129 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 95 | ALA | 0 | -0.011 | 0.005 | 16.906 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 96 | ALA | 0 | 0.017 | 0.010 | 18.854 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 97 | ARG | 1 | 0.856 | 0.919 | 21.169 | -0.107 | -0.107 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 98 | HIS | 0 | -0.056 | -0.028 | 18.029 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 99 | LEU | 0 | 0.039 | 0.014 | 17.016 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 100 | LEU | 0 | 0.002 | 0.005 | 20.723 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 101 | ARG | 1 | 0.914 | 0.938 | 23.696 | -0.130 | -0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 102 | LEU | 0 | -0.018 | -0.003 | 18.469 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 103 | VAL | 0 | 0.002 | 0.000 | 23.029 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 104 | ASP | -1 | -0.796 | -0.879 | 25.286 | 0.080 | 0.080 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 105 | ALA | 0 | 0.000 | 0.022 | 25.724 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 106 | SER | 0 | -0.013 | -0.003 | 26.651 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 107 | ALA | 0 | 0.014 | 0.020 | 22.454 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 108 | THR | 0 | 0.003 | -0.024 | 21.272 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 109 | VAL | 0 | -0.037 | -0.011 | 15.845 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 110 | ALA | 0 | 0.059 | 0.029 | 15.318 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 111 | ASP | -1 | -0.745 | -0.829 | 16.244 | 0.105 | 0.105 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 112 | LEU | 0 | -0.035 | 0.009 | 14.376 | -0.024 | -0.024 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 113 | ARG | 1 | 0.853 | 0.916 | 18.478 | -0.114 | -0.114 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 114 | PHE | 0 | 0.011 | -0.002 | 18.155 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 115 | THR | 0 | -0.020 | -0.015 | 23.759 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 116 | ARG | 1 | 0.866 | 0.948 | 27.519 | -0.077 | -0.077 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 117 | GLU | -1 | -0.785 | -0.827 | 30.093 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 118 | PRO | 0 | 0.048 | 0.019 | 33.276 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 119 | GLY | 0 | -0.021 | -0.010 | 36.157 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 120 | ALA | 0 | -0.018 | 0.007 | 33.737 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 121 | THR | 0 | -0.022 | -0.040 | 34.831 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 122 | LEU | 0 | 0.015 | 0.011 | 28.445 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 123 | PRO | 0 | 0.032 | 0.030 | 30.797 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 124 | LEU | 0 | 0.003 | -0.011 | 27.549 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 125 | TYR | 0 | -0.034 | -0.038 | 29.404 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 126 | ALA | 0 | -0.029 | 0.015 | 31.447 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 127 | PRO | 0 | 0.043 | 0.008 | 29.648 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 128 | PRO | 0 | 0.019 | 0.038 | 25.187 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 129 | LYS | 1 | 0.946 | 0.984 | 26.991 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 130 | VAL | 0 | 0.011 | 0.010 | 22.427 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 131 | SER | 0 | -0.056 | -0.037 | 25.635 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 132 | SER | 0 | 0.015 | -0.007 | 26.855 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 133 | ALA | 0 | 0.031 | 0.021 | 28.419 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 134 | GLU | -1 | -0.827 | -0.875 | 25.470 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 135 | GLN | 0 | 0.007 | -0.012 | 26.194 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 136 | SER | 0 | 0.011 | 0.005 | 24.574 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 137 | ASN | 0 | -0.001 | 0.003 | 22.155 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 138 | THR | 0 | 0.014 | 0.005 | 20.446 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 139 | SER | 0 | -0.019 | -0.034 | 22.461 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 140 | VAL | 0 | 0.002 | 0.010 | 22.402 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 141 | ILE | 0 | 0.005 | 0.003 | 25.591 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 142 | PHE | 0 | 0.000 | -0.008 | 24.488 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 143 | GLY | 0 | 0.002 | 0.000 | 30.090 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 144 | LYS | 1 | 0.904 | 0.949 | 33.392 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 145 | ASP | -1 | -0.774 | -0.848 | 34.070 | 0.047 | 0.047 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 146 | ALA | 0 | 0.026 | 0.011 | 30.903 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 147 | MET | 0 | -0.039 | 0.007 | 28.284 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 148 | LEU | 0 | 0.001 | 0.009 | 21.810 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 149 | LYS | 1 | 0.851 | 0.932 | 24.712 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 150 | VAL | 0 | 0.011 | -0.007 | 18.046 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 151 | PHE | 0 | -0.028 | -0.020 | 20.702 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 152 | ARG | 1 | 0.811 | 0.892 | 15.356 | -0.046 | -0.046 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 153 | ARG | 1 | 0.977 | 1.004 | 17.767 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 154 | VAL | 0 | -0.028 | -0.006 | 17.227 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 155 | THR | 0 | 0.003 | -0.004 | 19.963 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 156 | PRO | 0 | 0.051 | 0.044 | 22.073 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 157 | GLY | 0 | 0.046 | 0.027 | 23.817 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 158 | ILE | 0 | -0.041 | -0.010 | 26.520 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 159 | ASN | 0 | 0.034 | -0.003 | 26.076 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 160 | PRO | 0 | 0.043 | 0.017 | 28.550 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 161 | ASP | -1 | -0.680 | -0.809 | 29.719 | 0.032 | 0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 162 | ILE | 0 | 0.008 | -0.013 | 26.090 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 163 | GLU | -1 | -0.763 | -0.818 | 30.597 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 164 | LEU | 0 | 0.045 | 0.009 | 33.048 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 165 | ASN | 0 | 0.000 | 0.013 | 33.322 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 166 | ARG | 1 | 0.856 | 0.910 | 29.263 | -0.056 | -0.056 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 167 | VAL | 0 | -0.027 | 0.001 | 35.281 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 168 | LEU | 0 | 0.023 | 0.012 | 38.493 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 169 | ALA | 0 | -0.003 | 0.001 | 37.095 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 170 | GLN | 0 | -0.081 | -0.034 | 35.477 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 171 | ALA | 0 | 0.063 | 0.045 | 40.035 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 172 | GLY | 0 | -0.013 | 0.004 | 42.424 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 173 | ASN | 0 | -0.017 | -0.011 | 42.701 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 174 | ARG | 1 | 0.928 | 0.938 | 42.632 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 175 | HIS | 0 | -0.050 | -0.004 | 43.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 176 | VAL | 0 | -0.013 | 0.004 | 37.989 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 177 | ALA | 0 | 0.008 | 0.017 | 35.495 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 178 | ARG | 1 | 0.893 | 0.930 | 35.426 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 179 | LEU | 0 | 0.013 | 0.008 | 29.934 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 180 | LEU | 0 | -0.024 | -0.021 | 31.390 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 181 | GLY | 0 | 0.029 | 0.001 | 28.746 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 182 | SER | 0 | -0.057 | -0.008 | 25.971 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 183 | PHE | 0 | 0.009 | 0.008 | 18.465 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 184 | GLU | -1 | -0.804 | -0.899 | 21.310 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 185 | THR | 0 | 0.007 | -0.011 | 16.648 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 186 | SER | 0 | 0.012 | 0.000 | 18.696 | -0.021 | -0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 187 | TRP | 0 | -0.015 | 0.007 | 18.170 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 188 | ALA | 0 | 0.016 | 0.007 | 17.718 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 189 | GLY | 0 | 0.061 | 0.049 | 17.269 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 190 | PRO | 0 | -0.010 | -0.007 | 17.631 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 191 | GLY | 0 | -0.006 | 0.008 | 20.824 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 192 | THR | 0 | -0.039 | -0.023 | 21.061 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 193 | ASP | -1 | -0.884 | -0.940 | 23.711 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 194 | ARG | 1 | 0.885 | 0.942 | 22.677 | -0.044 | -0.044 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 195 | CYS | 0 | -0.014 | 0.005 | 19.583 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 196 | ALA | 0 | 0.000 | 0.001 | 21.137 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 197 | LEU | 0 | -0.030 | -0.010 | 17.266 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 198 | GLY | 0 | 0.069 | 0.035 | 20.537 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 199 | MET | 0 | -0.056 | -0.018 | 22.998 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 200 | VAL | 0 | 0.001 | -0.001 | 26.293 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 201 | THR | 0 | 0.034 | 0.027 | 28.436 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 202 | ALA | 0 | 0.052 | 0.027 | 31.976 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 203 | PHE | 0 | -0.051 | -0.003 | 33.484 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 204 | ALA | 0 | 0.036 | 0.029 | 35.413 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 205 | ALA | 0 | 0.011 | 0.004 | 38.832 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 206 | ASN | 0 | -0.063 | -0.044 | 39.826 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 207 | SER | 0 | 0.007 | 0.000 | 39.394 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 208 | ALA | 0 | -0.019 | 0.002 | 42.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 209 | GLU | -1 | -0.868 | -0.939 | 38.681 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 210 | GLY | 0 | 0.052 | 0.001 | 42.203 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 211 | TRP | 0 | -0.052 | -0.014 | 42.543 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 212 | ASP | -1 | -0.761 | -0.848 | 42.141 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 213 | MET | 0 | -0.020 | 0.000 | 45.285 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 214 | ALA | 0 | 0.035 | 0.028 | 47.859 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 215 | THR | 0 | 0.003 | -0.016 | 46.620 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 216 | ALA | 0 | -0.010 | 0.010 | 49.308 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 217 | SER | 0 | -0.004 | 0.009 | 51.072 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 218 | ALA | 0 | 0.017 | 0.026 | 52.366 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 219 | ARG | 1 | 0.931 | 0.941 | 46.818 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 220 | GLU | -1 | -0.870 | -0.896 | 54.575 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 221 | MET | 0 | -0.009 | -0.007 | 57.114 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 222 | PHE | 0 | -0.006 | -0.014 | 60.090 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 223 | ALA | 0 | 0.072 | 0.063 | 60.152 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 224 | ASP | -1 | -0.774 | -0.879 | 62.177 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 225 | VAL | 0 | -0.019 | 0.005 | 64.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 226 | VAL | 0 | -0.027 | -0.002 | 59.624 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 227 | GLY | 0 | 0.037 | 0.025 | 60.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 228 | SER | 0 | -0.009 | -0.041 | 60.114 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 229 | ASP | -1 | -0.815 | -0.875 | 56.885 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 230 | PHE | 0 | -0.039 | -0.039 | 49.913 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 231 | ALA | 0 | 0.067 | 0.034 | 54.637 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 232 | ASP | -1 | -0.792 | -0.859 | 56.386 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
233 | A | 233 | GLU | -1 | -0.766 | -0.852 | 51.158 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 234 | SER | 0 | -0.017 | -0.005 | 51.755 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 235 | TYR | 0 | -0.034 | -0.017 | 52.583 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 236 | ARG | 1 | 0.929 | 0.974 | 50.893 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 237 | LEU | 0 | 0.004 | 0.017 | 45.905 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 238 | GLY | 0 | 0.044 | 0.009 | 48.908 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 239 | ASN | 0 | -0.025 | -0.011 | 50.941 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 240 | ALA | 0 | -0.016 | -0.002 | 46.309 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 241 | VAL | 0 | -0.016 | -0.009 | 45.564 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 242 | ALA | 0 | 0.057 | 0.037 | 46.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 243 | SER | 0 | -0.025 | -0.010 | 47.997 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 244 | VAL | 0 | -0.020 | -0.018 | 42.112 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 245 | HIS | 0 | -0.019 | 0.006 | 44.456 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 246 | ALA | 0 | 0.086 | 0.052 | 46.273 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 247 | THR | 0 | 0.006 | 0.023 | 43.240 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 248 | LEU | 0 | 0.015 | 0.004 | 39.965 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 249 | ALA | 0 | -0.006 | 0.024 | 43.607 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 250 | GLU | -1 | -0.826 | -0.889 | 46.611 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 251 | ALA | 0 | -0.029 | -0.010 | 42.045 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 252 | LEU | 0 | -0.068 | -0.041 | 38.715 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 253 | GLY | 0 | 0.016 | 0.027 | 42.804 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 254 | THR | 0 | 0.009 | 0.027 | 45.927 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 255 | SER | 0 | 0.015 | 0.009 | 46.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 256 | THR | 0 | 0.010 | 0.006 | 49.283 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 257 | GLU | -1 | -0.763 | -0.806 | 45.827 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 258 | PRO | 0 | 0.025 | 0.012 | 50.358 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 259 | PHE | 0 | 0.055 | 0.032 | 50.478 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 260 | PRO | 0 | 0.050 | 0.040 | 47.184 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 261 | VAL | 0 | 0.007 | -0.009 | 49.004 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 262 | ASP | -1 | -0.751 | -0.853 | 48.811 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 263 | THR | 0 | 0.009 | 0.018 | 43.633 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 264 | VAL | 0 | 0.014 | -0.003 | 46.020 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 265 | LEU | 0 | 0.018 | 0.021 | 48.087 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 266 | ALA | 0 | 0.003 | 0.012 | 45.031 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 267 | ARG | 1 | 0.790 | 0.866 | 41.221 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 268 | LEU | 0 | 0.028 | 0.026 | 45.455 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 269 | GLN | 0 | -0.020 | -0.001 | 47.761 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 270 | SER | 0 | 0.004 | 0.001 | 42.156 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 271 | ALA | 0 | 0.036 | 0.014 | 45.335 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 272 | ALA | 0 | -0.014 | -0.014 | 46.276 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 273 | ARG | 1 | 0.887 | 0.946 | 44.975 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 274 | SER | 0 | -0.037 | -0.008 | 43.583 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 275 | ALA | 0 | 0.047 | 0.037 | 45.850 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 276 | PRO | 0 | 0.027 | 0.018 | 49.002 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 277 | GLU | -1 | -0.838 | -0.913 | 51.725 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 278 | LEU | 0 | 0.012 | 0.006 | 49.084 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 279 | ALA | 0 | 0.038 | 0.036 | 53.233 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 280 | GLY | 0 | -0.018 | -0.007 | 55.206 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 281 | ARG | 1 | 0.762 | 0.850 | 55.612 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 282 | ALA | 0 | 0.028 | 0.020 | 54.065 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 283 | ALA | 0 | 0.027 | 0.016 | 55.586 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 284 | ALA | 0 | 0.044 | 0.022 | 58.743 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 285 | VAL | 0 | 0.001 | -0.012 | 52.791 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 286 | GLU | -1 | -0.811 | -0.861 | 55.198 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 287 | GLU | -1 | -0.882 | -0.921 | 56.128 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 288 | ARG | 1 | 0.815 | 0.898 | 57.060 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 289 | TYR | 0 | 0.053 | 0.021 | 50.772 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 290 | ARG | 1 | 0.876 | 0.918 | 54.782 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 291 | ARG | 1 | 0.941 | 1.002 | 57.595 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 292 | LEU | 0 | -0.020 | 0.002 | 54.818 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 293 | ASP | -1 | -0.884 | -0.944 | 55.630 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 294 | GLY | 0 | -0.021 | -0.006 | 55.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 295 | ARG | 1 | 0.739 | 0.837 | 56.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 296 | ALA | 0 | 0.022 | 0.007 | 54.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 297 | ILE | 0 | -0.024 | -0.013 | 49.218 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 298 | THR | 0 | 0.029 | 0.033 | 50.581 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 299 | VAL | 0 | -0.028 | 0.004 | 45.961 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 300 | GLN | 0 | 0.013 | -0.010 | 44.715 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 301 | ARG | 1 | 0.780 | 0.868 | 35.402 | -0.020 | -0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 302 | VAL | 0 | -0.051 | -0.011 | 40.718 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 303 | HIS | 0 | -0.007 | -0.018 | 37.562 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 304 | GLY | 0 | 0.012 | 0.008 | 37.888 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 305 | ASP | -1 | -0.774 | -0.851 | 36.136 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 306 | LEU | 0 | 0.023 | 0.016 | 38.842 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 307 | HIS | 0 | 0.037 | 0.031 | 37.935 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 308 | LEU | 0 | 0.018 | -0.010 | 42.239 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 309 | GLY | 0 | 0.008 | 0.002 | 39.721 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 310 | GLN | 0 | 0.095 | -0.011 | 35.729 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 311 | VAL | 0 | -0.011 | 0.010 | 39.172 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 312 | LEU | 0 | -0.005 | 0.004 | 37.215 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 313 | ARG | 1 | 0.803 | 0.884 | 41.888 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 314 | THR | 0 | -0.006 | -0.029 | 42.003 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 315 | PRO | 0 | 0.003 | -0.013 | 44.609 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 316 | ASP | -1 | -0.927 | -0.957 | 46.754 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 317 | ASP | -1 | -0.788 | -0.866 | 45.833 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 318 | TRP | 0 | 0.002 | 0.000 | 44.856 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 319 | LEU | 0 | -0.057 | -0.023 | 39.716 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 320 | LEU | 0 | 0.016 | 0.004 | 40.244 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 321 | ILE | 0 | 0.023 | 0.009 | 34.878 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 322 | ASP | -1 | -0.604 | -0.892 | 32.732 | 0.020 | 0.020 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 323 | PHE | 0 | 0.105 | 0.092 | 33.752 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 324 | GLU | -1 | -0.822 | -0.896 | 27.650 | 0.027 | 0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 325 | GLY | 0 | 0.095 | 0.064 | 32.102 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 326 | GLU | -1 | -0.809 | -0.872 | 34.569 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 327 | PRO | 0 | 0.004 | -0.008 | 33.304 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 328 | GLY | 0 | -0.040 | -0.021 | 31.907 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 329 | GLN | 0 | 0.003 | 0.022 | 32.845 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 330 | PRO | 0 | 0.032 | 0.014 | 30.177 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 331 | LEU | 0 | 0.021 | 0.001 | 27.222 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 332 | ASP | -1 | -0.889 | -0.951 | 30.638 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 333 | GLU | -1 | -0.847 | -0.917 | 33.397 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 334 | ARG | 1 | 0.754 | 0.875 | 28.178 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 335 | ARG | 1 | 0.846 | 0.907 | 31.954 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 336 | ARG | 1 | 0.872 | 0.967 | 35.898 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 337 | PRO | 0 | -0.006 | 0.012 | 39.254 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 338 | ASP | -1 | -0.682 | -0.804 | 42.334 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 339 | SER | 0 | 0.047 | 0.008 | 44.463 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 340 | PRO | 0 | 0.044 | 0.023 | 46.661 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 341 | LEU | 0 | -0.003 | -0.008 | 47.747 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 342 | ARG | 1 | 0.815 | 0.912 | 41.842 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 343 | ASP | -1 | -0.694 | -0.831 | 42.888 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 344 | VAL | 0 | -0.042 | -0.018 | 45.448 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 345 | ALA | 0 | 0.014 | -0.001 | 48.174 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 346 | GLY | 0 | 0.004 | 0.010 | 44.883 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 347 | VAL | 0 | 0.026 | 0.016 | 45.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 348 | LEU | 0 | -0.012 | -0.006 | 47.287 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 349 | ARG | 1 | 0.744 | 0.852 | 46.865 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 350 | SER | 0 | 0.041 | 0.013 | 44.754 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 351 | PHE | 0 | 0.046 | 0.000 | 46.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 352 | GLU | -1 | -0.751 | -0.846 | 50.378 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 353 | TYR | 0 | -0.054 | -0.050 | 45.924 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 354 | ALA | 0 | -0.004 | 0.012 | 48.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 355 | ALA | 0 | -0.007 | 0.000 | 49.273 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 356 | TYR | 0 | 0.006 | -0.031 | 52.141 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 357 | GLN | 0 | 0.010 | 0.002 | 45.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 358 | LYS | 1 | 0.837 | 0.922 | 50.098 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 359 | LEU | 0 | -0.039 | -0.016 | 52.851 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 360 | VAL | 0 | -0.037 | -0.003 | 49.521 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 361 | GLU | -1 | -0.842 | -0.874 | 47.542 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 362 | LEU | 0 | -0.026 | 0.018 | 51.881 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 363 | ALA | 0 | 0.062 | 0.052 | 55.543 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 364 | PRO | 0 | 0.036 | 0.029 | 57.745 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 365 | GLU | -1 | -0.866 | -0.944 | 60.484 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 366 | GLN | 0 | -0.003 | -0.002 | 57.566 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 367 | ASP | -1 | -0.755 | -0.837 | 60.733 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 368 | ALA | 0 | 0.008 | 0.018 | 62.616 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 369 | ASP | -1 | -0.889 | -0.939 | 65.403 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 370 | GLY | 0 | 0.048 | 0.030 | 63.355 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 371 | ARG | 1 | 0.878 | 0.938 | 63.893 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 372 | LEU | 0 | -0.021 | -0.017 | 59.306 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 373 | ALA | 0 | 0.055 | 0.020 | 59.309 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 374 | ASP | -1 | -0.781 | -0.851 | 60.374 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 375 | ARG | 1 | 0.804 | 0.902 | 59.845 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 376 | ALA | 0 | 0.012 | 0.019 | 56.349 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 377 | ARG | 1 | 0.794 | 0.887 | 56.050 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 378 | ASN | 0 | -0.008 | -0.010 | 59.530 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 379 | TRP | 0 | 0.000 | -0.001 | 51.573 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 380 | VAL | 0 | -0.014 | -0.005 | 54.082 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 381 | ASP | -1 | -0.727 | -0.812 | 56.268 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 382 | ARG | 1 | 0.899 | 0.932 | 59.158 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 383 | ASN | 0 | 0.052 | 0.003 | 54.176 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 384 | SER | 0 | 0.005 | 0.010 | 54.426 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 385 | ALA | 0 | -0.029 | -0.012 | 55.468 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 386 | ALA | 0 | -0.034 | -0.007 | 56.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 387 | PHE | 0 | 0.038 | 0.021 | 48.751 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 388 | CYS | 0 | -0.034 | -0.019 | 54.017 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 389 | ALA | 0 | 0.015 | 0.017 | 55.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 390 | GLY | 0 | 0.048 | 0.023 | 54.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 391 | TYR | 0 | -0.033 | -0.044 | 49.063 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 392 | ALA | 0 | -0.025 | -0.018 | 53.693 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 393 | ALA | 0 | -0.057 | -0.012 | 57.013 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 394 | VAL | 0 | -0.060 | -0.011 | 51.622 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 395 | ALA | 0 | 0.001 | 0.002 | 53.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 396 | GLY | 0 | -0.015 | 0.009 | 54.709 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 397 | ASP | -1 | -0.816 | -0.889 | 56.771 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 398 | ASP | -1 | -0.758 | -0.844 | 56.715 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 399 | PRO | 0 | 0.034 | 0.028 | 53.603 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 400 | ARG | 1 | 0.781 | 0.842 | 55.715 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 401 | ARG | 1 | 0.841 | 0.906 | 57.984 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 402 | ASP | -1 | -0.804 | -0.872 | 56.256 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 403 | GLY | 0 | 0.039 | 0.009 | 56.732 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 404 | ASP | -1 | -0.774 | -0.866 | 57.640 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 405 | VAL | 0 | 0.045 | 0.019 | 52.577 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 406 | LEU | 0 | -0.022 | -0.001 | 51.965 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 407 | ALA | 0 | -0.004 | -0.004 | 52.730 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 408 | ALA | 0 | 0.028 | 0.013 | 53.167 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 409 | TYR | 0 | 0.003 | -0.020 | 47.618 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 410 | GLU | -1 | -0.721 | -0.828 | 48.843 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 411 | LEU | 0 | -0.010 | 0.004 | 50.290 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 412 | ASP | -1 | -0.770 | -0.842 | 46.007 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 413 | LYS | 1 | 0.814 | 0.899 | 43.237 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 414 | ALA | 0 | 0.039 | 0.022 | 46.401 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 415 | VAL | 0 | 0.003 | 0.001 | 47.631 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 416 | TYR | 0 | 0.023 | 0.017 | 38.248 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 417 | GLU | -1 | -0.725 | -0.846 | 44.080 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 418 | ALA | 0 | 0.005 | 0.004 | 45.340 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 419 | ALA | 0 | 0.003 | 0.007 | 44.047 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 420 | TYR | 0 | -0.003 | 0.015 | 37.621 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 421 | GLU | -1 | -0.735 | -0.847 | 42.632 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 422 | ALA | 0 | 0.000 | 0.000 | 45.055 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 423 | ARG | 1 | 0.884 | 0.950 | 37.413 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 424 | PHE | 0 | -0.081 | -0.041 | 36.466 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 425 | ARG | 1 | 0.801 | 0.891 | 41.523 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 426 | PRO | 0 | 0.096 | 0.055 | 44.400 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 427 | SER | 0 | 0.031 | 0.024 | 47.766 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 428 | TRP | 0 | 0.019 | -0.012 | 45.687 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 429 | LEU | 0 | 0.004 | 0.019 | 48.738 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 430 | PRO | 0 | 0.026 | 0.005 | 50.013 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 431 | ILE | 0 | 0.021 | 0.026 | 49.250 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 432 | PRO | 0 | 0.020 | 0.021 | 48.172 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 433 | MET | 0 | 0.012 | 0.007 | 51.046 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 434 | ARG | 1 | 0.913 | 0.967 | 53.916 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 435 | SER | 0 | -0.010 | -0.007 | 52.722 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 436 | ILE | 0 | 0.030 | 0.020 | 51.367 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 437 | ASP | -1 | -0.769 | -0.839 | 55.146 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 438 | ARG | 1 | 0.792 | 0.895 | 54.580 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 439 | ILE | 0 | -0.009 | -0.009 | 53.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 440 | LEU | 0 | 0.004 | 0.012 | 57.397 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 441 | GLY | 0 | 0.038 | 0.027 | 59.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 442 | LYS | 1 | 0.798 | 0.885 | 55.793 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 443 | LEU | 0 | 0.013 | 0.001 | 56.027 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 444 | ALA | 0 | -0.006 | -0.006 | 59.653 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 445 | ALA | 0 | 0.028 | 0.015 | 62.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 446 | ALA | 0 | -0.013 | -0.013 | 60.579 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 447 | LEU | 0 | -0.041 | -0.013 | 59.558 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 448 | GLU | -1 | -0.894 | -0.917 | 62.980 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 449 | HIS | 0 | -0.047 | -0.025 | 63.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 450 | HIS | 0 | -0.029 | -0.003 | 66.417 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 451 | HIS | 0 | -0.066 | -0.018 | 61.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 452 | HIS | 0 | -0.043 | -0.046 | 65.120 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 453 | NME | 0 | 0.039 | 0.051 | 64.318 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 501 | MG2 | 2 | 1.018 | 1.697 | 34.491 | -0.027 | -0.027 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 602 | HOH | 0 | -0.030 | -0.041 | 14.653 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 603 | HOH | 0 | 0.031 | 0.058 | 13.215 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 604 | HOH | 0 | 0.040 | 0.026 | 40.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 605 | HOH | 0 | 0.000 | 0.021 | 60.035 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 606 | HOH | 0 | -0.052 | -0.064 | 62.749 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 607 | HOH | 0 | -0.047 | -0.050 | 49.129 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 608 | HOH | 0 | -0.008 | -0.012 | 34.165 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 609 | HOH | 0 | -0.013 | -0.007 | 32.820 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 610 | HOH | 0 | -0.025 | -0.019 | 28.179 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 611 | HOH | 0 | 0.012 | 0.015 | 48.614 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 612 | HOH | 0 | -0.014 | -0.035 | 39.050 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 613 | HOH | 0 | 0.030 | 0.042 | 61.448 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 614 | HOH | 0 | -0.040 | -0.055 | 62.785 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 615 | HOH | 0 | -0.064 | -0.055 | 24.129 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 616 | HOH | 0 | -0.001 | -0.017 | 57.800 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 617 | HOH | 0 | -0.063 | -0.049 | 54.108 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 618 | HOH | 0 | -0.073 | -0.081 | 45.256 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 619 | HOH | 0 | -0.023 | -0.032 | 60.767 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 620 | HOH | 0 | 0.001 | -0.004 | 31.859 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 621 | HOH | 0 | -0.020 | -0.037 | 22.709 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 622 | HOH | 0 | -0.057 | -0.047 | 65.610 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 623 | HOH | 0 | 0.010 | 0.022 | 26.157 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 624 | HOH | 0 | 0.005 | 0.020 | 59.422 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 625 | HOH | 0 | -0.026 | -0.015 | 60.399 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 626 | HOH | 0 | -0.050 | -0.043 | 60.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 627 | HOH | 0 | -0.030 | -0.033 | 53.354 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 628 | HOH | 0 | -0.040 | -0.044 | 57.947 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 629 | HOH | 0 | -0.031 | -0.031 | 50.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 631 | HOH | 0 | -0.048 | -0.035 | 49.615 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 632 | HOH | 0 | -0.016 | -0.027 | 30.288 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 633 | HOH | 0 | -0.066 | -0.048 | 14.567 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 634 | HOH | 0 | -0.044 | -0.039 | 35.837 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 635 | HOH | 0 | -0.031 | -0.013 | 66.540 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
488 | A | 636 | HOH | 0 | -0.058 | -0.040 | 25.172 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 637 | HOH | 0 | -0.058 | -0.040 | 22.180 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 638 | HOH | 0 | -0.007 | -0.005 | 32.255 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 639 | HOH | 0 | -0.061 | -0.050 | 46.061 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 640 | HOH | 0 | -0.067 | -0.043 | 65.973 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 641 | HOH | 0 | -0.051 | -0.039 | 50.052 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 642 | HOH | 0 | -0.006 | 0.016 | 20.687 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 643 | HOH | 0 | -0.045 | -0.035 | 49.796 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 644 | HOH | 0 | -0.032 | -0.027 | 30.245 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 645 | HOH | 0 | 0.007 | 0.014 | 60.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 646 | HOH | 0 | -0.022 | -0.022 | 63.924 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 647 | HOH | 0 | -0.046 | -0.035 | 25.899 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 648 | HOH | 0 | 0.062 | 0.044 | 24.145 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 649 | HOH | 0 | -0.063 | -0.043 | 67.084 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 650 | HOH | 0 | -0.013 | -0.019 | 62.835 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 651 | HOH | 0 | -0.044 | -0.029 | 56.647 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 652 | HOH | 0 | -0.051 | -0.045 | 67.807 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 653 | HOH | 0 | -0.031 | -0.025 | 61.915 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 654 | HOH | 0 | -0.015 | -0.020 | 46.676 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 655 | HOH | 0 | 0.044 | 0.022 | 27.928 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 656 | HOH | 0 | -0.055 | -0.032 | 14.991 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 657 | HOH | 0 | 0.012 | 0.014 | 47.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 658 | HOH | 0 | -0.054 | -0.046 | 56.403 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 659 | HOH | 0 | 0.027 | 0.025 | 44.955 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
512 | A | 660 | HOH | 0 | -0.044 | -0.028 | 61.498 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 661 | HOH | 0 | -0.037 | -0.032 | 64.688 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 662 | HOH | 0 | -0.030 | -0.021 | 40.664 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 663 | HOH | 0 | 0.031 | 0.022 | 32.765 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 664 | HOH | 0 | -0.025 | -0.022 | 59.095 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 665 | HOH | 0 | -0.030 | -0.022 | 32.603 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 666 | HOH | 0 | -0.039 | -0.026 | 25.461 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 667 | HOH | 0 | -0.005 | 0.000 | 64.377 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 668 | HOH | 0 | -0.012 | -0.009 | 38.216 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 669 | HOH | 0 | -0.043 | -0.027 | 12.971 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 670 | HOH | 0 | 0.008 | 0.012 | 59.942 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 671 | HOH | 0 | -0.041 | -0.026 | 41.794 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 672 | HOH | 0 | -0.037 | -0.024 | 65.623 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 673 | HOH | 0 | 0.002 | 0.008 | 59.772 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 674 | HOH | 0 | -0.017 | -0.011 | 4.882 | -0.235 | -0.235 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 675 | HOH | 0 | -0.004 | -0.014 | 39.341 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 676 | HOH | 0 | -0.005 | -0.009 | 60.525 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 677 | HOH | 0 | -0.036 | -0.025 | 49.434 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 678 | HOH | 0 | -0.024 | -0.020 | 59.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 679 | HOH | 0 | -0.025 | -0.020 | 55.597 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 680 | HOH | 0 | -0.038 | -0.033 | 16.183 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 681 | HOH | 0 | 0.016 | 0.018 | 26.553 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 682 | HOH | 0 | 0.019 | 0.014 | 63.006 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 683 | HOH | 0 | -0.025 | -0.020 | 50.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 684 | HOH | 0 | -0.084 | -0.052 | 64.997 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 685 | HOH | 0 | -0.023 | -0.014 | 69.998 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 686 | HOH | 0 | -0.042 | -0.027 | 59.534 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 688 | HOH | 0 | -0.009 | -0.003 | 64.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 689 | HOH | 0 | 0.049 | 0.074 | 64.688 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 690 | HOH | 0 | -0.037 | -0.023 | 68.620 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 691 | HOH | 0 | -0.009 | -0.001 | 46.650 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 692 | HOH | 0 | -0.015 | -0.007 | 66.609 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 693 | HOH | 0 | -0.009 | 0.007 | 24.113 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 694 | HOH | 0 | -0.038 | -0.022 | 62.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 695 | HOH | 0 | 0.002 | 0.026 | 45.887 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 696 | HOH | 0 | 0.004 | 0.003 | 59.749 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 697 | HOH | 0 | 0.004 | 0.008 | 15.419 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 698 | HOH | 0 | -0.034 | -0.017 | 66.051 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 699 | HOH | 0 | -0.023 | -0.016 | 55.883 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 700 | HOH | 0 | -0.059 | -0.039 | 63.310 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 701 | HOH | 0 | -0.001 | 0.003 | 41.630 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 702 | HOH | 0 | -0.021 | -0.012 | 38.626 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 703 | HOH | 0 | -0.006 | -0.005 | 50.725 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 704 | HOH | 0 | -0.022 | -0.045 | 61.417 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 705 | HOH | 0 | -0.025 | -0.012 | 10.202 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 706 | HOH | 0 | -0.049 | -0.040 | 45.118 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 707 | HOH | 0 | 0.004 | 0.025 | 22.938 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 708 | HOH | 0 | -0.018 | -0.012 | 64.383 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 709 | HOH | 0 | -0.005 | -0.002 | 68.993 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 710 | HOH | 0 | -0.059 | -0.065 | 64.438 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 711 | HOH | 0 | -0.037 | -0.045 | 20.613 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 712 | HOH | 0 | -0.037 | -0.019 | 44.145 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 713 | HOH | 0 | -0.052 | -0.033 | 57.911 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 714 | HOH | 0 | -0.004 | -0.001 | 44.672 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 715 | HOH | 0 | 0.018 | 0.015 | 51.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 716 | HOH | 0 | 0.028 | 0.015 | 50.740 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 717 | HOH | 0 | -0.040 | -0.018 | 27.946 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 718 | HOH | 0 | 0.034 | 0.019 | 56.881 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 719 | HOH | 0 | 0.021 | 0.013 | 64.639 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 720 | HOH | 0 | 0.021 | 0.013 | 35.475 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 721 | HOH | 0 | -0.024 | -0.011 | 47.939 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 722 | HOH | 0 | 0.018 | 0.012 | 30.632 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 723 | HOH | 0 | 0.011 | 0.006 | 65.525 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 729 | HOH | 0 | -0.032 | -0.017 | 27.121 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 764 | HOH | 0 | -0.003 | 0.000 | 66.736 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 790 | HOH | 0 | -0.002 | -0.017 | 43.836 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 791 | HOH | 0 | -0.027 | -0.018 | 42.329 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 792 | HOH | 0 | 0.003 | -0.006 | 36.413 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 793 | HOH | 0 | -0.018 | -0.010 | 35.821 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 794 | HOH | 0 | 0.009 | -0.002 | 22.086 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 795 | HOH | 0 | 0.008 | 0.006 | 38.643 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 796 | HOH | 0 | -0.006 | -0.029 | 47.910 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 797 | HOH | 0 | 0.003 | -0.008 | 36.245 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 798 | HOH | 0 | -0.026 | -0.016 | 35.474 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 799 | HOH | 0 | 0.003 | 0.010 | 28.194 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 800 | HOH | 0 | 0.014 | 0.010 | 52.444 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 801 | HOH | 0 | -0.033 | -0.025 | 43.589 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 802 | HOH | 0 | 0.003 | 0.000 | 42.582 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 803 | HOH | 0 | -0.029 | -0.034 | 46.282 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 804 | HOH | 0 | 0.002 | 0.005 | 51.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 805 | HOH | 0 | -0.011 | -0.016 | 52.678 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 806 | HOH | 0 | 0.007 | 0.000 | 46.034 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 807 | HOH | 0 | -0.028 | -0.013 | 53.742 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 808 | HOH | 0 | -0.018 | -0.019 | 24.325 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 809 | HOH | 0 | -0.034 | -0.030 | 41.151 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 810 | HOH | 0 | 0.014 | -0.008 | 36.312 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 811 | HOH | 0 | -0.045 | -0.044 | 55.580 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 812 | HOH | 0 | -0.007 | -0.006 | 41.681 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 813 | HOH | 0 | -0.001 | -0.006 | 24.021 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 815 | HOH | 0 | 0.063 | 0.041 | 47.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 816 | HOH | 0 | 0.026 | 0.031 | 41.799 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 817 | HOH | 0 | 0.016 | 0.005 | 41.798 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 818 | HOH | 0 | 0.019 | 0.005 | 50.596 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 819 | HOH | 0 | -0.045 | -0.038 | 48.960 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 820 | HOH | 0 | -0.034 | -0.044 | 25.777 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 821 | HOH | 0 | 0.018 | 0.008 | 39.190 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 822 | HOH | 0 | -0.043 | -0.035 | 54.953 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 823 | HOH | 0 | -0.028 | -0.019 | 49.459 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 824 | HOH | 0 | 0.008 | 0.019 | 34.977 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 825 | HOH | 0 | -0.048 | -0.029 | 45.305 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 826 | HOH | 0 | 0.026 | 0.027 | 43.096 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 827 | HOH | 0 | 0.008 | -0.004 | 27.208 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 828 | HOH | 0 | -0.013 | -0.013 | 34.076 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 829 | HOH | 0 | 0.005 | -0.004 | 17.274 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 830 | HOH | 0 | 0.004 | 0.002 | 59.909 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 831 | HOH | 0 | -0.016 | -0.017 | 50.796 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 832 | HOH | 0 | -0.042 | -0.046 | 32.628 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 833 | HOH | 0 | -0.023 | -0.015 | 12.894 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 835 | HOH | 0 | -0.079 | -0.061 | 27.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 836 | HOH | 0 | 0.029 | 0.021 | 24.592 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 837 | HOH | 0 | 0.018 | 0.015 | 47.429 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 838 | HOH | 0 | -0.038 | -0.025 | 51.337 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 839 | HOH | 0 | 0.025 | 0.017 | 59.847 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 840 | HOH | 0 | 0.006 | 0.001 | 11.039 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 841 | HOH | 0 | 0.003 | -0.004 | 46.105 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 842 | HOH | 0 | 0.016 | 0.004 | 14.930 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 843 | HOH | 0 | -0.021 | -0.017 | 49.372 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 844 | HOH | 0 | -0.011 | -0.005 | 39.854 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 845 | HOH | 0 | -0.016 | -0.007 | 53.230 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 847 | HOH | 0 | -0.068 | -0.053 | 48.699 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 848 | HOH | 0 | 0.027 | 0.019 | 59.209 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 849 | HOH | 0 | 0.022 | 0.031 | 50.389 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 850 | HOH | 0 | 0.010 | -0.009 | 54.588 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 851 | HOH | 0 | -0.028 | -0.017 | 57.383 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 852 | HOH | 0 | -0.032 | -0.021 | 58.977 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 853 | HOH | 0 | -0.006 | -0.001 | 32.833 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 855 | HOH | 0 | -0.031 | -0.020 | 24.916 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 856 | HOH | 0 | -0.009 | -0.015 | 32.315 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 857 | HOH | 0 | -0.005 | 0.003 | 29.195 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 858 | HOH | 0 | -0.039 | -0.033 | 49.420 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 859 | HOH | 0 | -0.030 | -0.026 | 55.043 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 860 | HOH | 0 | -0.042 | -0.045 | 40.509 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 861 | HOH | 0 | -0.015 | -0.012 | 21.862 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 862 | HOH | 0 | 0.026 | 0.034 | 41.812 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 863 | HOH | 0 | -0.035 | -0.033 | 22.334 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 864 | HOH | 0 | -0.014 | -0.009 | 41.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 865 | HOH | 0 | -0.024 | -0.030 | 44.484 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 866 | HOH | 0 | -0.023 | -0.018 | 27.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 867 | HOH | 0 | -0.020 | -0.022 | 22.443 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 868 | HOH | 0 | -0.003 | 0.000 | 57.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 869 | HOH | 0 | 0.001 | -0.010 | 17.187 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 870 | HOH | 0 | 0.029 | 0.020 | 10.619 | 0.042 | 0.042 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 871 | HOH | 0 | -0.045 | -0.035 | 53.679 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 873 | HOH | 0 | -0.026 | -0.019 | 57.132 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 874 | HOH | 0 | 0.035 | 0.022 | 50.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 875 | HOH | 0 | 0.000 | 0.002 | 43.801 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 877 | HOH | 0 | -0.019 | -0.019 | 54.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 879 | HOH | 0 | 0.006 | -0.004 | 41.739 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 881 | HOH | 0 | 0.030 | 0.016 | 37.126 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 882 | HOH | 0 | 0.025 | 0.020 | 13.978 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 883 | HOH | 0 | -0.025 | -0.028 | 44.445 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 884 | HOH | 0 | -0.031 | -0.013 | 46.413 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 885 | HOH | 0 | -0.018 | -0.024 | 13.760 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 887 | HOH | 0 | -0.060 | -0.038 | 31.041 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 888 | HOH | 0 | -0.030 | -0.026 | 36.924 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 890 | HOH | 0 | 0.003 | -0.004 | 51.473 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 891 | HOH | 0 | -0.019 | -0.009 | 33.917 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 893 | HOH | 0 | -0.025 | -0.034 | 10.507 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 894 | HOH | 0 | -0.032 | -0.024 | 26.305 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 895 | HOH | 0 | 0.054 | 0.066 | 56.097 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 897 | HOH | 0 | -0.020 | -0.013 | 43.288 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 898 | HOH | 0 | -0.011 | -0.015 | 61.663 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 900 | HOH | 0 | 0.029 | 0.020 | 8.384 | 0.025 | 0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 901 | HOH | 0 | -0.034 | -0.032 | 43.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 903 | HOH | 0 | -0.006 | -0.009 | 36.140 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 904 | HOH | 0 | 0.004 | 0.013 | 41.060 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 905 | HOH | 0 | -0.032 | -0.025 | 55.787 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 906 | HOH | 0 | 0.014 | 0.008 | 6.152 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 908 | HOH | 0 | -0.038 | -0.027 | 36.320 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 909 | HOH | 0 | 0.038 | 0.022 | 30.231 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 911 | HOH | 0 | 0.006 | 0.011 | 57.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 912 | HOH | 0 | -0.012 | -0.017 | 23.805 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 913 | HOH | 0 | -0.015 | -0.017 | 15.864 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 915 | HOH | 0 | -0.064 | -0.044 | 46.648 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 916 | HOH | 0 | -0.005 | -0.012 | 60.806 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 917 | HOH | 0 | -0.003 | -0.001 | 46.304 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 918 | HOH | 0 | -0.020 | -0.016 | 62.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 920 | HOH | 0 | -0.037 | -0.025 | 45.376 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 921 | HOH | 0 | -0.029 | -0.024 | 58.411 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 923 | HOH | 0 | -0.039 | -0.034 | 48.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 924 | HOH | 0 | -0.002 | -0.013 | 35.625 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
693 | A | 925 | HOH | 0 | 0.014 | 0.014 | 58.537 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
694 | A | 926 | HOH | 0 | -0.017 | -0.008 | 35.738 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
695 | A | 927 | HOH | 0 | 0.021 | 0.015 | 39.620 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
696 | A | 928 | HOH | 0 | -0.031 | -0.036 | 15.713 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
697 | A | 929 | HOH | 0 | -0.079 | -0.065 | 52.549 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
698 | A | 931 | HOH | 0 | -0.002 | 0.002 | 25.196 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
699 | A | 932 | HOH | 0 | -0.008 | 0.002 | 17.589 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
700 | A | 933 | HOH | 0 | -0.010 | -0.021 | 57.261 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
701 | A | 935 | HOH | 0 | 0.050 | 0.033 | 44.495 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
702 | A | 938 | HOH | 0 | 0.007 | -0.004 | 55.891 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
703 | A | 939 | HOH | 0 | -0.054 | -0.043 | 11.933 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
704 | A | 940 | HOH | 0 | -0.003 | -0.006 | 9.377 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
705 | A | 941 | HOH | 0 | -0.009 | 0.003 | 17.782 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
706 | A | 942 | HOH | 0 | 0.009 | 0.003 | 20.866 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
707 | A | 943 | HOH | 0 | 0.009 | -0.004 | 19.221 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
708 | A | 944 | HOH | 0 | -0.013 | -0.021 | 17.077 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
709 | A | 945 | HOH | 0 | -0.028 | -0.019 | 15.088 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
710 | A | 946 | HOH | 0 | -0.024 | -0.034 | 20.357 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
711 | A | 947 | HOH | 0 | -0.025 | -0.016 | 8.006 | -0.031 | -0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
712 | A | 948 | HOH | 0 | -0.034 | -0.022 | 10.814 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
713 | A | 951 | HOH | 0 | -0.059 | -0.052 | 9.513 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
714 | A | 952 | HOH | 0 | -0.015 | -0.018 | 17.751 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
715 | A | 953 | HOH | 0 | 0.026 | 0.015 | 17.377 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
716 | A | 954 | HOH | 0 | 0.036 | 0.017 | 19.910 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
717 | A | 955 | HOH | 0 | -0.032 | -0.040 | 12.894 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
718 | A | 957 | HOH | 0 | 0.041 | 0.024 | 16.218 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
719 | A | 958 | HOH | 0 | 0.021 | 0.029 | 21.222 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
720 | A | 959 | HOH | 0 | 0.008 | -0.015 | 24.912 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
721 | A | 960 | HOH | 0 | 0.023 | 0.024 | 28.717 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
722 | A | 961 | HOH | 0 | 0.025 | 0.046 | 38.685 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
723 | A | 963 | HOH | 0 | -0.030 | -0.028 | 34.723 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
724 | A | 964 | HOH | 0 | 0.081 | 0.054 | 31.642 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
725 | A | 965 | HOH | 0 | 0.068 | 0.046 | 33.605 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
726 | A | 966 | HOH | 0 | 0.025 | 0.017 | 26.699 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
727 | A | 967 | HOH | 0 | -0.045 | -0.043 | 30.612 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
728 | A | 968 | HOH | 0 | -0.026 | -0.017 | 32.396 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
729 | A | 969 | HOH | 0 | 0.017 | -0.002 | 35.810 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
730 | A | 972 | HOH | 0 | -0.012 | -0.008 | 48.672 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
731 | A | 973 | HOH | 0 | -0.008 | -0.012 | 49.863 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
732 | A | 974 | HOH | 0 | -0.037 | -0.044 | 34.931 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
733 | A | 975 | HOH | 0 | -0.015 | -0.015 | 18.227 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
734 | A | 978 | HOH | 0 | -0.068 | -0.057 | 51.873 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
735 | A | 981 | HOH | 0 | -0.055 | -0.052 | 43.439 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
736 | A | 982 | HOH | 0 | -0.055 | -0.041 | 42.688 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
737 | A | 986 | HOH | 0 | -0.009 | -0.021 | 17.305 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
738 | A | 987 | HOH | 0 | 0.013 | 0.010 | 27.383 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
739 | A | 991 | HOH | 0 | -0.013 | -0.015 | 44.221 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
740 | A | 992 | HOH | 0 | -0.035 | -0.024 | 12.035 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
741 | A | 997 | HOH | 0 | 0.023 | 0.024 | 18.582 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
742 | A | 998 | HOH | 0 | -0.027 | -0.035 | 15.734 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
743 | A | 999 | HOH | 0 | 0.019 | 0.012 | 22.325 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
744 | A | 1002 | HOH | 0 | -0.023 | -0.016 | 24.555 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
745 | A | 1004 | HOH | 0 | -0.040 | -0.027 | 20.217 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
746 | A | 1005 | HOH | 0 | 0.029 | 0.019 | 18.907 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
747 | A | 1007 | HOH | 0 | -0.034 | -0.033 | 34.788 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
748 | A | 1009 | HOH | 0 | -0.001 | 0.002 | 29.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
749 | A | 1012 | HOH | 0 | -0.027 | -0.028 | 58.339 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
750 | A | 1014 | HOH | 0 | -0.031 | -0.021 | 54.626 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
751 | A | 1015 | HOH | 0 | -0.042 | -0.038 | 53.345 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
752 | A | 1016 | HOH | 0 | -0.020 | -0.021 | 50.225 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
753 | A | 1017 | HOH | 0 | 0.004 | 0.010 | 41.328 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
754 | A | 1018 | HOH | 0 | 0.015 | 0.002 | 60.202 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
755 | A | 1019 | HOH | 0 | -0.046 | -0.031 | 63.402 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
756 | A | 1020 | HOH | 0 | -0.021 | -0.013 | 39.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
757 | A | 1022 | HOH | 0 | -0.034 | -0.023 | 37.819 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
758 | A | 1023 | HOH | 0 | -0.008 | -0.020 | 58.423 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
759 | A | 1024 | HOH | 0 | -0.005 | -0.005 | 24.856 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
760 | A | 1025 | HOH | 0 | -0.017 | -0.027 | 39.425 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
761 | A | 1026 | HOH | 0 | 0.030 | 0.017 | 23.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
762 | A | 1027 | HOH | 0 | -0.039 | -0.042 | 57.260 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
763 | A | 1028 | HOH | 0 | 0.039 | 0.023 | 55.041 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
764 | A | 1029 | HOH | 0 | -0.014 | -0.005 | 20.772 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
765 | A | 1030 | HOH | 0 | -0.024 | -0.013 | 57.200 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
766 | A | 1031 | HOH | 0 | -0.049 | -0.021 | 57.196 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
767 | A | 1035 | HOH | 0 | -0.006 | -0.006 | 51.038 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
768 | A | 1040 | HOH | 0 | 0.033 | 0.024 | 56.955 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
769 | A | 1041 | HOH | 0 | 0.003 | 0.008 | 40.039 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
770 | A | 1044 | HOH | 0 | 0.034 | 0.026 | 37.326 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
771 | A | 1046 | HOH | 0 | -0.026 | -0.021 | 55.630 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
772 | A | 1050 | HOH | 0 | 0.047 | 0.057 | 55.917 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
773 | A | 1051 | HOH | 0 | 0.017 | 0.012 | 11.825 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
774 | A | 1053 | HOH | 0 | -0.014 | -0.027 | 58.698 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
775 | A | 1054 | HOH | 0 | -0.035 | -0.024 | 52.985 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
776 | A | 1056 | HOH | 0 | -0.033 | -0.028 | 50.758 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
777 | A | 1057 | HOH | 0 | -0.023 | -0.012 | 56.336 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
778 | A | 1063 | HOH | 0 | -0.033 | -0.029 | 56.858 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
779 | A | 1065 | HOH | 0 | -0.024 | -0.032 | 55.026 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
780 | A | 1066 | HOH | 0 | -0.033 | -0.022 | 33.602 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
781 | A | 1067 | HOH | 0 | 0.006 | 0.005 | 55.522 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
782 | A | 1068 | HOH | 0 | -0.069 | -0.058 | 21.588 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
783 | A | 1071 | HOH | 0 | -0.031 | -0.035 | 38.843 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
784 | A | 1075 | HOH | 0 | -0.056 | -0.049 | 48.499 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
785 | A | 1077 | HOH | 0 | -0.014 | -0.029 | 55.907 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
786 | A | 1080 | HOH | 0 | -0.017 | -0.022 | 32.567 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
787 | A | 1082 | HOH | 0 | -0.018 | -0.012 | 14.001 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
788 | A | 1083 | HOH | 0 | -0.063 | -0.049 | 31.568 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
789 | A | 1091 | HOH | 0 | -0.046 | -0.024 | 19.023 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
790 | A | 1094 | HOH | 0 | -0.033 | -0.018 | 29.092 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
791 | A | 1095 | HOH | 0 | -0.048 | -0.030 | 51.948 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
792 | A | 1097 | HOH | 0 | 0.006 | 0.021 | 38.407 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
793 | A | 1099 | HOH | 0 | -0.036 | -0.029 | 51.510 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
794 | A | 1103 | HOH | 0 | -0.005 | 0.003 | 25.789 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
795 | A | 1108 | HOH | 0 | -0.035 | -0.016 | 45.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
796 | A | 1111 | HOH | 0 | 0.051 | 0.049 | 18.420 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
797 | A | 1112 | HOH | 0 | -0.054 | -0.047 | 39.447 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
798 | A | 1114 | HOH | 0 | 0.002 | 0.005 | 23.884 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
799 | A | 1115 | HOH | 0 | -0.043 | -0.033 | 48.567 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
800 | A | 1116 | HOH | 0 | -0.016 | -0.014 | 7.279 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
801 | A | 1126 | HOH | 0 | 0.011 | 0.021 | 14.465 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
802 | A | 1130 | HOH | 0 | -0.048 | -0.024 | 15.049 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
803 | A | 1136 | HOH | 0 | 0.010 | 0.003 | 38.557 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
804 | A | 1137 | HOH | 0 | -0.034 | -0.021 | 19.982 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
805 | A | 1144 | HOH | 0 | -0.055 | -0.035 | 61.886 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
806 | A | 1147 | HOH | 0 | -0.005 | 0.006 | 51.341 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
807 | A | 1151 | HOH | 0 | -0.017 | -0.001 | 41.153 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
808 | A | 1152 | HOH | 0 | -0.007 | -0.011 | 60.640 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
809 | A | 1154 | HOH | 0 | -0.046 | -0.045 | 38.952 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
810 | A | 1159 | HOH | 0 | -0.031 | -0.016 | 59.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
811 | A | 1160 | HOH | 0 | -0.016 | -0.015 | 37.733 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
812 | A | 1161 | HOH | 0 | -0.011 | -0.024 | 19.907 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
813 | A | 1163 | HOH | 0 | -0.002 | -0.010 | 36.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
814 | A | 1164 | HOH | 0 | -0.031 | -0.020 | 36.813 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
815 | A | 1167 | HOH | 0 | -0.059 | -0.049 | 47.304 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
816 | A | 1170 | HOH | 0 | -0.001 | -0.005 | 41.173 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
817 | A | 1173 | HOH | 0 | 0.062 | -0.069 | 33.495 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
818 | A | 1174 | HOH | 0 | -0.012 | -0.007 | 55.780 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |