![FMODB](./images/FMODB-Logo_20190201-0_300ppi.png)
FMODB ID: XYV12
Calculation Name: 2I49-A-Xray17
Preferred Name:
Target Type:
Ligand Name:
ligand 3-letter code:
PDB ID: 2I49
Chain ID: A
UniProt ID: Q55460
Base Structure: X-ray
Registration Date: 2018-06-01
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 | 692 |
LigandCharge | |
Software | MIZUHO/ABINIT-MP 3.0 |
Total energy (hartree)
FMO2-HF: Electronic energy | -8848380.059466 |
---|---|
FMO2-HF: Nuclear repulsion | 8672036.195878 |
FMO2-HF: Total energy | -176343.863588 |
FMO2-MP2: Total energy | -176854.161636 |
3D Structure
Ligand structure
![ligand structure](./Kdata/F001759/ligand_interaction/ligand_F001759.png)
Ligand Interaction
![ligand interaction](./Kdata/F001759/ligand_interaction/ligand_interaction_F001759.png)
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:54:ACE)
Summations of interaction energy for
fragment #1(A:54: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. |
1.224 | 2.304 | -0.014 | -0.439 | -0.628 | -0.001 |
Interaction energy analysis for fragmet #1(A:54: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 | 56 | PRO | 0 | 0.024 | 0.021 | 3.840 | 0.831 | 1.793 | -0.012 | -0.417 | -0.534 | -0.001 |
4 | A | 57 | GLU | -1 | -0.725 | -0.850 | 6.644 | -0.378 | -0.378 | 0.000 | 0.000 | 0.000 | 0.000 |
5 | A | 58 | THR | 0 | 0.011 | 0.008 | 9.597 | 0.031 | 0.031 | 0.000 | 0.000 | 0.000 | 0.000 |
6 | A | 59 | ALA | 0 | 0.034 | 0.016 | 10.790 | -0.039 | -0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
7 | A | 60 | ASN | 0 | 0.038 | 0.017 | 12.052 | 0.033 | 0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
8 | A | 61 | ILE | 0 | 0.009 | 0.014 | 15.340 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
9 | A | 62 | LYS | 1 | 0.876 | 0.977 | 17.351 | 0.112 | 0.112 | 0.000 | 0.000 | 0.000 | 0.000 |
10 | A | 63 | LEU | 0 | -0.011 | -0.011 | 17.286 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
11 | A | 64 | GLY | 0 | 0.003 | 0.000 | 21.565 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
12 | A | 65 | TYR | 0 | -0.026 | -0.037 | 24.739 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
13 | A | 66 | ILE | 0 | 0.007 | 0.011 | 26.889 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
14 | A | 67 | PRO | 0 | -0.032 | -0.019 | 30.012 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
15 | A | 68 | ILE | 0 | -0.054 | -0.007 | 30.856 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
16 | A | 69 | VAL | 0 | 0.063 | 0.015 | 30.078 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
17 | A | 70 | GLU | -1 | -0.722 | -0.858 | 28.318 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
18 | A | 71 | ALA | 0 | -0.038 | -0.011 | 25.815 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
19 | A | 72 | ALA | 0 | -0.024 | -0.006 | 24.634 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
20 | A | 73 | PRO | 0 | 0.007 | 0.003 | 20.952 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
21 | A | 74 | LEU | 0 | 0.014 | 0.012 | 19.613 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
22 | A | 75 | ILE | 0 | -0.006 | 0.004 | 20.541 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
23 | A | 76 | ILE | 0 | 0.000 | 0.002 | 20.886 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
24 | A | 77 | ALA | 0 | 0.013 | 0.007 | 16.510 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
25 | A | 78 | GLN | 0 | 0.026 | 0.024 | 17.138 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
26 | A | 79 | GLU | -1 | -0.783 | -0.872 | 18.923 | -0.127 | -0.127 | 0.000 | 0.000 | 0.000 | 0.000 |
27 | A | 80 | LYS | 1 | 0.773 | 0.886 | 20.124 | 0.069 | 0.069 | 0.000 | 0.000 | 0.000 | 0.000 |
28 | A | 81 | GLY | 0 | -0.003 | 0.008 | 16.778 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
29 | A | 82 | PHE | 0 | 0.018 | 0.022 | 14.516 | -0.029 | -0.029 | 0.000 | 0.000 | 0.000 | 0.000 |
30 | A | 83 | PHE | 0 | -0.001 | -0.009 | 12.621 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
31 | A | 84 | ALA | 0 | 0.027 | 0.006 | 11.286 | -0.085 | -0.085 | 0.000 | 0.000 | 0.000 | 0.000 |
32 | A | 85 | LYS | 1 | 0.824 | 0.909 | 10.346 | -0.136 | -0.136 | 0.000 | 0.000 | 0.000 | 0.000 |
33 | A | 86 | TYR | 0 | -0.059 | -0.057 | 6.921 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
34 | A | 87 | GLY | 0 | 0.038 | 0.017 | 6.815 | -0.292 | -0.292 | 0.000 | 0.000 | 0.000 | 0.000 |
35 | A | 88 | MET | 0 | -0.035 | 0.012 | 8.449 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
36 | A | 89 | THR | 0 | 0.048 | 0.014 | 11.323 | 0.106 | 0.106 | 0.000 | 0.000 | 0.000 | 0.000 |
37 | A | 90 | GLY | 0 | 0.042 | 0.040 | 14.051 | 0.048 | 0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
38 | A | 91 | VAL | 0 | -0.042 | -0.006 | 14.819 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
39 | A | 92 | GLU | -1 | -0.936 | -0.966 | 17.350 | -0.144 | -0.144 | 0.000 | 0.000 | 0.000 | 0.000 |
40 | A | 93 | VAL | 0 | 0.005 | -0.007 | 20.835 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
41 | A | 94 | SER | 0 | -0.032 | -0.020 | 22.840 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
42 | A | 95 | LYS | 1 | 0.881 | 0.944 | 26.027 | 0.059 | 0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
43 | A | 96 | GLN | 0 | -0.019 | 0.000 | 27.765 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
44 | A | 97 | ALA | 0 | 0.036 | 0.021 | 31.034 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
45 | A | 98 | ASN | 0 | 0.007 | 0.002 | 34.150 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
46 | A | 99 | TRP | 0 | 0.037 | 0.010 | 29.298 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
47 | A | 100 | ALA | 0 | 0.004 | 0.008 | 33.388 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
48 | A | 101 | SER | 0 | 0.000 | -0.016 | 33.714 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
49 | A | 102 | ALA | 0 | 0.004 | 0.018 | 29.272 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
50 | A | 103 | ARG | 1 | 0.863 | 0.926 | 29.503 | 0.023 | 0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
51 | A | 104 | ASP | -1 | -0.830 | -0.915 | 30.847 | -0.033 | -0.033 | 0.000 | 0.000 | 0.000 | 0.000 |
52 | A | 105 | ASN | 0 | 0.032 | 0.014 | 28.405 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
53 | A | 106 | VAL | 0 | 0.018 | 0.024 | 24.608 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
54 | A | 107 | THR | 0 | -0.090 | -0.061 | 26.741 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
55 | A | 108 | ILE | 0 | -0.034 | 0.006 | 28.721 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
56 | A | 109 | GLY | 0 | 0.054 | 0.060 | 25.036 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
57 | A | 110 | SER | 0 | -0.067 | -0.068 | 21.442 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
58 | A | 111 | GLN | 0 | -0.008 | 0.002 | 23.839 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
59 | A | 112 | GLY | 0 | 0.001 | 0.009 | 25.419 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
60 | A | 113 | GLY | 0 | -0.004 | -0.002 | 27.431 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
61 | A | 114 | GLY | 0 | -0.031 | -0.013 | 27.705 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
62 | A | 115 | ILE | 0 | -0.057 | -0.051 | 23.935 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
63 | A | 116 | ASP | -1 | -0.675 | -0.788 | 19.630 | -0.131 | -0.131 | 0.000 | 0.000 | 0.000 | 0.000 |
64 | A | 117 | GLY | 0 | 0.034 | 0.005 | 21.175 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
65 | A | 118 | GLY | 0 | -0.009 | 0.006 | 21.968 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
66 | A | 119 | GLN | 0 | 0.026 | 0.026 | 22.755 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
67 | A | 120 | TRP | 0 | -0.037 | -0.034 | 23.847 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
68 | A | 121 | GLN | 0 | 0.075 | 0.041 | 27.680 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
69 | A | 122 | MET | 0 | -0.028 | 0.007 | 27.147 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
70 | A | 123 | PRO | 0 | 0.041 | 0.014 | 30.593 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
71 | A | 124 | MET | 0 | 0.003 | -0.003 | 29.792 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
72 | A | 125 | PRO | 0 | 0.028 | 0.013 | 25.534 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
73 | A | 126 | HIS | 0 | 0.034 | 0.006 | 27.669 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
74 | A | 127 | LEU | 0 | -0.013 | -0.009 | 29.816 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
75 | A | 128 | ILE | 0 | -0.008 | -0.003 | 28.737 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
76 | A | 129 | THR | 0 | 0.013 | 0.014 | 27.362 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
77 | A | 130 | GLU | -1 | -0.780 | -0.886 | 29.354 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
78 | A | 131 | GLY | 0 | 0.016 | 0.008 | 32.598 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
79 | A | 132 | ILE | 0 | -0.024 | 0.002 | 34.446 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
80 | A | 133 | ILE | 0 | -0.027 | -0.007 | 32.956 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
81 | A | 134 | THR | 0 | -0.025 | -0.043 | 32.365 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
82 | A | 135 | ASN | 0 | -0.031 | -0.025 | 35.809 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
83 | A | 136 | GLY | 0 | 0.037 | 0.030 | 37.570 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
84 | A | 137 | ASN | 0 | -0.072 | -0.042 | 32.383 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
85 | A | 138 | LYS | 1 | 0.912 | 0.978 | 31.351 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
86 | A | 139 | VAL | 0 | 0.027 | 0.032 | 26.306 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
87 | A | 140 | PRO | 0 | -0.007 | -0.001 | 24.894 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
88 | A | 141 | MET | 0 | -0.010 | 0.014 | 23.099 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
89 | A | 142 | TYR | 0 | -0.016 | -0.026 | 18.413 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
90 | A | 143 | VAL | 0 | -0.002 | -0.005 | 21.086 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
91 | A | 144 | LEU | 0 | -0.027 | -0.022 | 16.044 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
92 | A | 145 | ALA | 0 | 0.034 | 0.001 | 18.332 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
93 | A | 146 | GLN | 0 | 0.006 | 0.027 | 20.366 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
94 | A | 147 | LEU | 0 | -0.065 | -0.061 | 21.384 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
95 | A | 148 | ILE | 0 | -0.015 | -0.017 | 23.776 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
96 | A | 149 | THR | 0 | 0.022 | 0.019 | 26.980 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
97 | A | 150 | GLN | 0 | 0.050 | 0.012 | 30.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
98 | A | 151 | GLY | 0 | 0.019 | 0.059 | 32.613 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
99 | A | 152 | ASN | 0 | -0.024 | -0.017 | 34.172 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
100 | A | 153 | GLY | 0 | 0.058 | 0.021 | 36.965 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
101 | A | 154 | ILE | 0 | -0.035 | 0.004 | 40.725 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
102 | A | 155 | ALA | 0 | 0.029 | 0.003 | 44.023 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
103 | A | 156 | VAL | 0 | -0.010 | -0.013 | 46.323 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
104 | A | 157 | ALA | 0 | 0.000 | 0.004 | 50.044 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
105 | A | 158 | PRO | 0 | 0.078 | 0.023 | 52.806 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
106 | A | 159 | MET | 0 | -0.026 | -0.004 | 55.493 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
107 | A | 160 | HIS | 0 | -0.013 | 0.029 | 54.061 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
108 | A | 161 | GLU | -1 | -0.822 | -0.878 | 55.179 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
109 | A | 162 | GLY | 0 | -0.010 | -0.013 | 57.107 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
110 | A | 163 | LYS | 1 | 0.872 | 0.956 | 57.688 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
111 | A | 164 | GLY | 0 | 0.041 | 0.042 | 56.433 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
112 | A | 165 | VAL | 0 | -0.026 | 0.001 | 51.769 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
113 | A | 166 | ASN | 0 | -0.012 | -0.032 | 50.714 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
114 | A | 167 | LEU | 0 | 0.049 | 0.036 | 44.875 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
115 | A | 168 | ASP | -1 | -0.755 | -0.831 | 48.519 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
116 | A | 169 | ILE | 0 | -0.027 | -0.007 | 50.633 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
117 | A | 170 | THR | 0 | 0.038 | 0.002 | 53.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
118 | A | 171 | LYS | 1 | 0.888 | 0.933 | 55.365 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
119 | A | 172 | ALA | 0 | 0.006 | 0.027 | 55.902 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
120 | A | 173 | ALA | 0 | 0.034 | 0.028 | 56.268 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
121 | A | 174 | ASP | -1 | -0.858 | -0.934 | 57.203 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
122 | A | 175 | TYR | 0 | -0.010 | -0.016 | 57.496 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
123 | A | 176 | ILE | 0 | 0.044 | 0.031 | 53.537 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
124 | A | 177 | LYS | 1 | 0.903 | 0.967 | 57.204 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
125 | A | 178 | GLY | 0 | -0.033 | -0.016 | 58.774 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
126 | A | 179 | PHE | 0 | 0.046 | 0.026 | 58.423 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
127 | A | 180 | ASN | 0 | -0.029 | -0.007 | 60.869 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
128 | A | 181 | LYS | 1 | 0.822 | 0.916 | 62.243 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
129 | A | 182 | THR | 0 | 0.001 | -0.007 | 63.444 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
130 | A | 183 | ASN | 0 | -0.011 | -0.008 | 61.702 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
131 | A | 184 | GLY | 0 | -0.009 | 0.022 | 63.171 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
132 | A | 185 | ARG | 1 | 0.770 | 0.865 | 56.383 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
133 | A | 186 | LYS | 1 | 0.894 | 0.951 | 56.657 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
134 | A | 187 | PHE | 0 | 0.030 | 0.016 | 51.492 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
135 | A | 188 | LYS | 1 | 0.879 | 0.925 | 51.180 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
136 | A | 189 | ALA | 0 | 0.010 | 0.001 | 47.838 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
137 | A | 190 | ALA | 0 | 0.012 | 0.006 | 45.419 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
138 | A | 191 | HIS | 0 | 0.042 | 0.022 | 40.476 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
139 | A | 192 | THR | 0 | -0.016 | -0.015 | 37.387 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
140 | A | 193 | PHE | 0 | -0.008 | -0.015 | 35.483 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
141 | A | 194 | PRO | 0 | 0.020 | 0.026 | 38.766 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
142 | A | 195 | ASN | 0 | -0.051 | -0.032 | 38.024 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
143 | A | 196 | VAL | 0 | 0.019 | 0.022 | 34.046 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
144 | A | 197 | ASN | 0 | 0.018 | -0.005 | 31.081 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
145 | A | 198 | GLN | 0 | 0.030 | 0.032 | 35.374 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
146 | A | 199 | ASP | -1 | -0.735 | -0.821 | 38.108 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
147 | A | 200 | PHE | 0 | -0.004 | -0.008 | 35.760 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
148 | A | 201 | TRP | 0 | -0.026 | -0.005 | 33.870 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
149 | A | 202 | ILE | 0 | 0.012 | -0.001 | 40.380 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
150 | A | 203 | ARG | 1 | 0.780 | 0.866 | 42.731 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
151 | A | 204 | TYR | 0 | -0.037 | -0.020 | 42.156 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
152 | A | 205 | TRP | 0 | -0.018 | -0.015 | 44.237 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
153 | A | 206 | PHE | 0 | 0.006 | -0.014 | 46.064 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
154 | A | 207 | ALA | 0 | 0.027 | 0.014 | 47.419 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
155 | A | 208 | ALA | 0 | -0.011 | 0.012 | 47.067 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
156 | A | 209 | GLY | 0 | 0.041 | 0.024 | 49.085 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
157 | A | 210 | GLY | 0 | 0.004 | 0.010 | 52.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
158 | A | 211 | VAL | 0 | -0.018 | -0.006 | 52.093 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
159 | A | 212 | ASP | -1 | -0.704 | -0.830 | 51.262 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
160 | A | 213 | PRO | 0 | -0.005 | -0.013 | 47.275 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
161 | A | 214 | ASP | -1 | -0.750 | -0.802 | 48.414 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
162 | A | 215 | THR | 0 | -0.002 | 0.010 | 50.867 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
163 | A | 216 | ASP | -1 | -0.752 | -0.830 | 54.097 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
164 | A | 217 | ILE | 0 | -0.028 | 0.016 | 49.583 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
165 | A | 218 | ASP | -1 | -0.777 | -0.843 | 52.389 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
166 | A | 219 | LEU | 0 | -0.022 | -0.008 | 44.961 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
167 | A | 220 | LEU | 0 | -0.015 | -0.019 | 47.205 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
168 | A | 221 | ALA | 0 | 0.014 | 0.015 | 42.369 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
169 | A | 222 | VAL | 0 | -0.010 | -0.013 | 43.663 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
170 | A | 223 | PRO | 0 | 0.020 | 0.013 | 41.604 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
171 | A | 224 | PRO | 0 | 0.064 | 0.031 | 38.936 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
172 | A | 225 | ALA | 0 | 0.025 | 0.014 | 42.113 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
173 | A | 226 | GLU | -1 | -0.855 | -0.932 | 44.174 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
174 | A | 227 | THR | 0 | 0.014 | 0.004 | 44.852 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
175 | A | 228 | VAL | 0 | 0.010 | 0.000 | 44.405 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
176 | A | 229 | GLN | 0 | -0.033 | -0.007 | 47.312 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
177 | A | 230 | GLY | 0 | 0.060 | 0.033 | 49.827 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
178 | A | 231 | MET | 0 | -0.060 | -0.019 | 48.243 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
179 | A | 232 | ARG | 1 | 0.940 | 0.986 | 51.484 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
180 | A | 233 | ASN | 0 | -0.103 | -0.066 | 53.250 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
181 | A | 234 | GLY | 0 | 0.064 | 0.043 | 55.054 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
182 | A | 235 | THR | 0 | -0.059 | -0.042 | 54.531 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
183 | A | 236 | MET | 0 | -0.008 | 0.011 | 48.474 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
184 | A | 237 | ASP | -1 | -0.723 | -0.815 | 52.225 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
185 | A | 238 | ALA | 0 | 0.039 | 0.018 | 48.215 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
186 | A | 239 | PHE | 0 | -0.020 | -0.014 | 41.407 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
187 | A | 240 | SER | 0 | -0.015 | -0.006 | 40.786 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
188 | A | 241 | THR | 0 | -0.010 | 0.002 | 39.359 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
189 | A | 242 | GLY | 0 | 0.119 | 0.056 | 36.517 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
190 | A | 243 | ASP | -1 | -0.763 | -0.834 | 34.896 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
191 | A | 244 | PRO | 0 | 0.025 | -0.023 | 34.880 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
192 | A | 245 | TRP | 0 | -0.032 | -0.027 | 37.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
193 | A | 246 | PRO | 0 | 0.030 | 0.009 | 39.425 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
194 | A | 247 | TYR | 0 | 0.038 | 0.046 | 41.107 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
195 | A | 248 | ARG | 1 | 0.831 | 0.899 | 41.966 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
196 | A | 249 | ILE | 0 | -0.013 | -0.001 | 44.125 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
197 | A | 250 | VAL | 0 | 0.005 | 0.009 | 46.158 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
198 | A | 251 | THR | 0 | -0.027 | -0.030 | 45.833 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
199 | A | 252 | GLU | -1 | -0.845 | -0.895 | 46.291 | -0.017 | -0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
200 | A | 253 | ASN | 0 | -0.079 | -0.038 | 50.132 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
201 | A | 254 | ILE | 0 | -0.058 | -0.026 | 47.988 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
202 | A | 255 | GLY | 0 | 0.042 | 0.007 | 50.289 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
203 | A | 256 | TYR | 0 | -0.081 | -0.023 | 49.328 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
204 | A | 257 | MET | 0 | -0.012 | 0.000 | 42.423 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
205 | A | 258 | ALA | 0 | 0.032 | 0.023 | 46.958 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
206 | A | 259 | GLY | 0 | 0.036 | 0.014 | 45.093 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
207 | A | 260 | LEU | 0 | -0.024 | -0.004 | 39.648 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
208 | A | 261 | THR | 0 | 0.032 | -0.015 | 36.102 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
209 | A | 262 | ALA | 0 | 0.013 | 0.009 | 37.109 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
210 | A | 263 | GLN | 0 | -0.009 | 0.000 | 38.130 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
211 | A | 264 | ILE | 0 | -0.002 | 0.009 | 40.570 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
212 | A | 265 | TRP | 0 | 0.001 | -0.010 | 34.725 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
213 | A | 266 | PRO | 0 | -0.006 | 0.005 | 36.732 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
214 | A | 267 | TYR | 0 | 0.002 | 0.006 | 32.063 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
215 | A | 268 | HIS | 0 | 0.015 | 0.051 | 32.172 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
216 | A | 269 | PRO | 0 | 0.051 | 0.060 | 29.733 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
217 | A | 270 | GLH | 0 | -0.026 | -0.074 | 29.117 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
218 | A | 271 | GLU | -1 | -0.754 | -0.865 | 27.043 | -0.015 | -0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
219 | A | 272 | TYR | 0 | -0.019 | -0.029 | 23.857 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
220 | A | 273 | LEU | 0 | -0.005 | 0.014 | 17.033 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
221 | A | 274 | ALA | 0 | -0.017 | -0.019 | 21.117 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
222 | A | 275 | ILE | 0 | -0.016 | -0.012 | 16.335 | -0.013 | -0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
223 | A | 276 | ARG | 1 | 0.783 | 0.887 | 20.240 | 0.071 | 0.071 | 0.000 | 0.000 | 0.000 | 0.000 |
224 | A | 277 | ALA | 0 | 0.036 | -0.002 | 19.631 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
225 | A | 278 | ASP | -1 | -0.761 | -0.851 | 19.395 | -0.059 | -0.059 | 0.000 | 0.000 | 0.000 | 0.000 |
226 | A | 279 | TRP | 0 | -0.021 | -0.020 | 12.938 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
227 | A | 280 | VAL | 0 | 0.002 | -0.006 | 14.626 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
228 | A | 281 | ASP | -1 | -0.784 | -0.861 | 14.484 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
229 | A | 282 | LYS | 1 | 0.923 | 0.969 | 15.320 | 0.172 | 0.172 | 0.000 | 0.000 | 0.000 | 0.000 |
230 | A | 283 | ASN | 0 | -0.054 | -0.017 | 11.734 | -0.072 | -0.072 | 0.000 | 0.000 | 0.000 | 0.000 |
231 | A | 284 | PRO | 0 | 0.091 | 0.064 | 10.118 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
232 | A | 285 | LYS | 1 | 0.863 | 0.934 | 4.677 | 0.637 | 0.699 | -0.001 | -0.008 | -0.053 | 0.000 |
233 | A | 286 | ALA | 0 | 0.058 | 0.016 | 7.367 | -0.048 | -0.048 | 0.000 | 0.000 | 0.000 | 0.000 |
234 | A | 287 | THR | 0 | 0.008 | 0.004 | 9.123 | 0.022 | 0.022 | 0.000 | 0.000 | 0.000 | 0.000 |
235 | A | 288 | LYS | 1 | 0.785 | 0.896 | 7.681 | -0.623 | -0.623 | 0.000 | 0.000 | 0.000 | 0.000 |
236 | A | 289 | ALA | 0 | 0.015 | 0.019 | 6.860 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
237 | A | 290 | LEU | 0 | -0.016 | 0.000 | 8.509 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
238 | A | 291 | LEU | 0 | -0.003 | 0.000 | 12.111 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
239 | A | 292 | LYS | 1 | 0.804 | 0.892 | 5.942 | -0.662 | -0.662 | 0.000 | 0.000 | 0.000 | 0.000 |
240 | A | 293 | GLY | 0 | 0.005 | 0.008 | 11.916 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
241 | A | 294 | ILE | 0 | -0.026 | -0.013 | 13.484 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
242 | A | 295 | MET | 0 | -0.009 | -0.006 | 14.478 | 0.013 | 0.013 | 0.000 | 0.000 | 0.000 | 0.000 |
243 | A | 296 | GLU | -1 | -0.771 | -0.827 | 13.237 | 0.021 | 0.021 | 0.000 | 0.000 | 0.000 | 0.000 |
244 | A | 297 | ALA | 0 | 0.019 | 0.016 | 16.804 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
245 | A | 298 | GLN | 0 | -0.001 | 0.006 | 19.278 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
246 | A | 299 | GLN | 0 | -0.042 | -0.010 | 17.015 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
247 | A | 300 | TRP | 0 | 0.020 | 0.011 | 20.684 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
248 | A | 301 | ILE | 0 | 0.015 | -0.003 | 22.512 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
249 | A | 302 | ASP | -1 | -0.706 | -0.831 | 24.830 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
250 | A | 303 | ASP | -1 | -0.812 | -0.861 | 25.925 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
251 | A | 304 | PRO | 0 | 0.020 | -0.005 | 27.672 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
252 | A | 305 | LYS | 1 | 0.925 | 0.968 | 29.380 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
253 | A | 306 | ASN | 0 | 0.039 | 0.029 | 24.969 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
254 | A | 307 | ARG | 1 | 0.781 | 0.871 | 28.306 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
255 | A | 308 | PRO | 0 | -0.021 | 0.001 | 30.295 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
256 | A | 309 | GLU | -1 | -0.703 | -0.820 | 26.430 | -0.055 | -0.055 | 0.000 | 0.000 | 0.000 | 0.000 |
257 | A | 310 | VAL | 0 | -0.010 | 0.003 | 25.957 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
258 | A | 311 | VAL | 0 | 0.013 | 0.008 | 28.242 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
259 | A | 312 | GLN | 0 | 0.009 | 0.012 | 31.120 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
260 | A | 313 | ILE | 0 | 0.011 | 0.016 | 25.134 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
261 | A | 314 | VAL | 0 | 0.026 | 0.021 | 27.121 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
262 | A | 315 | SER | 0 | -0.010 | -0.022 | 29.421 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
263 | A | 316 | GLY | 0 | 0.015 | 0.027 | 31.548 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
264 | A | 317 | ARG | 1 | 0.942 | 0.951 | 32.633 | 0.051 | 0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
265 | A | 318 | ASN | 0 | -0.073 | -0.055 | 29.311 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
266 | A | 319 | TYR | 0 | -0.050 | -0.029 | 24.139 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
267 | A | 320 | PHE | 0 | 0.015 | 0.007 | 29.302 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
268 | A | 321 | ASN | 0 | 0.007 | 0.024 | 33.031 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
269 | A | 322 | VAL | 0 | -0.022 | -0.006 | 35.552 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
270 | A | 323 | PRO | 0 | 0.041 | 0.017 | 37.066 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
271 | A | 324 | THR | 0 | 0.075 | 0.034 | 35.237 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
272 | A | 325 | THR | 0 | 0.030 | 0.036 | 37.429 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
273 | A | 326 | ILE | 0 | -0.031 | -0.003 | 38.228 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
274 | A | 327 | LEU | 0 | -0.026 | 0.007 | 33.362 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
275 | A | 328 | GLU | -1 | -0.859 | -0.939 | 35.976 | -0.018 | -0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
276 | A | 329 | SER | 0 | -0.027 | -0.023 | 37.253 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
277 | A | 330 | PRO | 0 | 0.008 | 0.022 | 36.105 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
278 | A | 331 | PHE | 0 | -0.021 | 0.008 | 29.350 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
279 | A | 332 | LYS | 1 | 0.916 | 0.965 | 33.990 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
280 | A | 333 | GLY | 0 | 0.007 | 0.012 | 36.599 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
281 | A | 334 | GLN | 0 | -0.101 | -0.046 | 37.823 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
282 | A | 335 | TYR | 0 | -0.043 | -0.053 | 36.821 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
283 | A | 336 | THR | 0 | 0.010 | 0.015 | 43.069 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
284 | A | 337 | MET | 0 | -0.011 | 0.000 | 44.464 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
285 | A | 338 | GLY | 0 | 0.060 | 0.029 | 47.760 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
286 | A | 339 | ASP | -1 | -0.703 | -0.837 | 51.354 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
287 | A | 340 | GLY | 0 | 0.003 | 0.008 | 54.249 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
288 | A | 341 | GLN | 0 | -0.072 | -0.023 | 50.815 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
289 | A | 342 | PRO | 0 | -0.007 | 0.020 | 49.726 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
290 | A | 343 | ALA | 0 | 0.014 | 0.015 | 46.920 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
291 | A | 344 | ILE | 0 | 0.002 | 0.002 | 41.627 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
292 | A | 345 | ASP | -1 | -0.885 | -0.945 | 42.167 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
293 | A | 346 | ASP | -1 | -0.797 | -0.894 | 38.870 | 0.014 | 0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
294 | A | 347 | PHE | 0 | 0.028 | 0.023 | 30.584 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
295 | A | 348 | GLN | 0 | -0.028 | -0.027 | 32.867 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
296 | A | 349 | LYS | 1 | 0.874 | 0.948 | 35.578 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
297 | A | 350 | GLY | 0 | 0.040 | 0.033 | 35.263 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
298 | A | 351 | PRO | 0 | -0.054 | 0.007 | 30.531 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
299 | A | 352 | LEU | 0 | -0.012 | 0.003 | 29.087 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
300 | A | 353 | TYR | 0 | 0.009 | -0.047 | 24.094 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
301 | A | 354 | TRP | 0 | -0.049 | -0.025 | 18.153 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
302 | A | 355 | LYS | 1 | 0.896 | 0.959 | 23.900 | -0.053 | -0.053 | 0.000 | 0.000 | 0.000 | 0.000 |
303 | A | 356 | ASP | -1 | -0.695 | -0.831 | 26.594 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
304 | A | 357 | GLY | 0 | 0.003 | 0.000 | 30.141 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
305 | A | 358 | ILE | 0 | -0.059 | -0.008 | 31.780 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
306 | A | 359 | GLY | 0 | 0.056 | 0.013 | 28.489 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
307 | A | 360 | ASN | 0 | -0.027 | -0.002 | 21.581 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
308 | A | 361 | VAL | 0 | 0.007 | 0.013 | 25.031 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
309 | A | 362 | SER | 0 | 0.029 | 0.042 | 19.594 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
310 | A | 363 | TYR | 0 | -0.009 | -0.015 | 20.305 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
311 | A | 364 | PRO | 0 | 0.012 | 0.064 | 20.604 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
312 | A | 365 | TYR | 0 | 0.034 | -0.012 | 23.583 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
313 | A | 366 | LYS | 1 | 0.911 | 0.967 | 24.361 | -0.078 | -0.078 | 0.000 | 0.000 | 0.000 | 0.000 |
314 | A | 367 | SER | 0 | -0.010 | -0.014 | 27.749 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
315 | A | 368 | HIS | 0 | 0.013 | 0.006 | 28.934 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
316 | A | 369 | ASP | -1 | -0.791 | -0.877 | 27.211 | 0.028 | 0.028 | 0.000 | 0.000 | 0.000 | 0.000 |
317 | A | 370 | LEU | 0 | 0.000 | -0.014 | 30.167 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
318 | A | 371 | TRP | 0 | 0.022 | 0.032 | 33.215 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
319 | A | 372 | PHE | 0 | 0.027 | 0.008 | 30.518 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
320 | A | 373 | LEU | 0 | -0.025 | -0.004 | 32.282 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
321 | A | 374 | THR | 0 | -0.004 | -0.009 | 35.724 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
322 | A | 375 | GLU | -1 | -0.710 | -0.824 | 38.027 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
323 | A | 376 | SER | 0 | -0.029 | -0.038 | 36.985 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
324 | A | 377 | ILE | 0 | -0.032 | 0.004 | 39.392 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
325 | A | 378 | ARG | 1 | 0.804 | 0.913 | 41.869 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
326 | A | 379 | TRP | 0 | -0.017 | -0.027 | 42.096 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
327 | A | 380 | GLY | 0 | 0.000 | 0.020 | 44.600 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
328 | A | 381 | PHE | 0 | -0.029 | -0.023 | 39.878 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
329 | A | 382 | HIS | 0 | 0.017 | -0.011 | 37.731 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
330 | A | 383 | LYS | 1 | 0.975 | 0.999 | 41.461 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
331 | A | 384 | ASN | 0 | 0.020 | 0.009 | 43.628 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
332 | A | 385 | ALA | 0 | 0.016 | 0.025 | 38.036 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
333 | A | 386 | ILE | 0 | 0.007 | 0.003 | 35.957 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
334 | A | 387 | PRO | 0 | -0.021 | 0.003 | 39.420 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
335 | A | 388 | ASP | -1 | -0.807 | -0.859 | 40.373 | 0.018 | 0.018 | 0.000 | 0.000 | 0.000 | 0.000 |
336 | A | 389 | LEU | 0 | 0.062 | 0.004 | 38.649 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
337 | A | 390 | ASP | -1 | -0.906 | -0.941 | 37.086 | 0.030 | 0.030 | 0.000 | 0.000 | 0.000 | 0.000 |
338 | A | 391 | THR | 0 | -0.031 | -0.041 | 35.971 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
339 | A | 392 | ALA | 0 | -0.008 | -0.005 | 34.745 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
340 | A | 393 | GLN | 0 | 0.031 | 0.025 | 30.389 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
341 | A | 394 | LYS | 1 | 0.922 | 0.975 | 31.141 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
342 | A | 395 | ILE | 0 | -0.016 | -0.001 | 30.238 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
343 | A | 396 | ILE | 0 | 0.014 | 0.006 | 28.064 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
344 | A | 397 | ASP | -1 | -0.894 | -0.942 | 26.739 | 0.054 | 0.054 | 0.000 | 0.000 | 0.000 | 0.000 |
345 | A | 398 | LYS | 1 | 0.805 | 0.918 | 25.455 | -0.009 | -0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
346 | A | 399 | VAL | 0 | -0.017 | 0.008 | 24.311 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
347 | A | 400 | ASN | 0 | -0.052 | -0.020 | 23.081 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
348 | A | 401 | ARG | 1 | 0.815 | 0.882 | 16.755 | -0.089 | -0.089 | 0.000 | 0.000 | 0.000 | 0.000 |
349 | A | 402 | GLU | -1 | -0.700 | -0.820 | 18.401 | 0.130 | 0.130 | 0.000 | 0.000 | 0.000 | 0.000 |
350 | A | 403 | ASP | -1 | -0.783 | -0.866 | 17.461 | 0.146 | 0.146 | 0.000 | 0.000 | 0.000 | 0.000 |
351 | A | 404 | LEU | 0 | 0.009 | 0.001 | 13.162 | 0.035 | 0.035 | 0.000 | 0.000 | 0.000 | 0.000 |
352 | A | 405 | TRP | 0 | -0.021 | -0.006 | 13.801 | 0.039 | 0.039 | 0.000 | 0.000 | 0.000 | 0.000 |
353 | A | 406 | ARG | 1 | 0.826 | 0.901 | 15.163 | -0.111 | -0.111 | 0.000 | 0.000 | 0.000 | 0.000 |
354 | A | 407 | GLU | -1 | -0.764 | -0.846 | 10.816 | 0.463 | 0.463 | 0.000 | 0.000 | 0.000 | 0.000 |
355 | A | 408 | ALA | 0 | -0.009 | -0.011 | 10.279 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
356 | A | 409 | ALA | 0 | 0.051 | 0.013 | 11.176 | 0.037 | 0.037 | 0.000 | 0.000 | 0.000 | 0.000 |
357 | A | 410 | THR | 0 | -0.033 | -0.015 | 12.711 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
358 | A | 411 | GLU | -1 | -0.769 | -0.849 | 7.068 | 0.973 | 0.973 | 0.000 | 0.000 | 0.000 | 0.000 |
359 | A | 412 | ALA | 0 | -0.021 | 0.005 | 9.396 | 0.082 | 0.082 | 0.000 | 0.000 | 0.000 | 0.000 |
360 | A | 413 | GLY | 0 | 0.035 | 0.030 | 10.805 | -0.051 | -0.051 | 0.000 | 0.000 | 0.000 | 0.000 |
361 | A | 414 | PHE | 0 | -0.016 | -0.019 | 13.855 | -0.038 | -0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
362 | A | 415 | THR | 0 | 0.050 | 0.020 | 16.482 | -0.023 | -0.023 | 0.000 | 0.000 | 0.000 | 0.000 |
363 | A | 416 | ALA | 0 | -0.011 | 0.002 | 17.982 | -0.014 | -0.014 | 0.000 | 0.000 | 0.000 | 0.000 |
364 | A | 417 | ASP | -1 | -0.816 | -0.903 | 19.720 | 0.086 | 0.086 | 0.000 | 0.000 | 0.000 | 0.000 |
365 | A | 418 | ILE | 0 | -0.065 | -0.017 | 16.652 | -0.010 | -0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
366 | A | 419 | PRO | 0 | 0.033 | 0.029 | 20.920 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
367 | A | 420 | SER | 0 | 0.032 | 0.013 | 23.546 | 0.009 | 0.009 | 0.000 | 0.000 | 0.000 | 0.000 |
368 | A | 421 | SER | 0 | 0.020 | 0.012 | 25.956 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
369 | A | 422 | THR | 0 | 0.028 | 0.030 | 24.416 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
370 | A | 423 | SER | 0 | -0.008 | -0.024 | 26.585 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
371 | A | 424 | ARG | 1 | 0.768 | 0.869 | 29.650 | -0.032 | -0.032 | 0.000 | 0.000 | 0.000 | 0.000 |
372 | A | 425 | GLY | 0 | 0.021 | 0.016 | 30.991 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
373 | A | 426 | VAL | 0 | 0.016 | -0.012 | 34.453 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
374 | A | 427 | GLU | -1 | -0.742 | -0.796 | 33.406 | 0.034 | 0.034 | 0.000 | 0.000 | 0.000 | 0.000 |
375 | A | 428 | THR | 0 | 0.005 | 0.036 | 37.641 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
376 | A | 429 | PHE | 0 | -0.001 | 0.001 | 38.532 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
377 | A | 430 | PHE | 0 | -0.004 | -0.017 | 42.117 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
378 | A | 431 | ASP | -1 | -0.784 | -0.857 | 44.608 | 0.012 | 0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
379 | A | 432 | GLY | 0 | 0.022 | 0.016 | 45.989 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
380 | A | 433 | ILE | 0 | -0.027 | 0.013 | 43.647 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
381 | A | 434 | THR | 0 | 0.015 | -0.001 | 42.054 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
382 | A | 435 | PHE | 0 | 0.012 | 0.000 | 34.921 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
383 | A | 436 | ASP | -1 | -0.825 | -0.909 | 38.360 | 0.038 | 0.038 | 0.000 | 0.000 | 0.000 | 0.000 |
384 | A | 437 | PRO | 0 | -0.001 | -0.002 | 34.061 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
385 | A | 438 | ALA | 0 | 0.019 | 0.031 | 36.216 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
386 | A | 439 | ASN | 0 | 0.020 | -0.001 | 37.893 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
387 | A | 440 | PRO | 0 | 0.080 | 0.039 | 37.744 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
388 | A | 441 | SER | 0 | 0.015 | 0.001 | 40.508 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
389 | A | 442 | ALA | 0 | -0.011 | 0.004 | 43.954 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
390 | A | 443 | TYR | 0 | 0.018 | 0.004 | 41.306 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
391 | A | 444 | LEU | 0 | 0.023 | 0.017 | 42.485 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
392 | A | 445 | GLN | 0 | -0.057 | -0.037 | 45.246 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
393 | A | 446 | SER | 0 | -0.044 | -0.003 | 46.321 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
394 | A | 447 | LEU | 0 | 0.016 | 0.020 | 44.041 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
395 | A | 448 | ALA | 0 | 0.030 | 0.016 | 48.561 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
396 | A | 449 | ILE | 0 | -0.047 | -0.010 | 50.086 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
397 | A | 450 | LYS | 1 | 0.841 | 0.908 | 47.511 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
398 | A | 451 | LYS | 1 | 0.757 | 0.858 | 47.748 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
399 | A | 452 | VAL | -1 | -0.843 | -0.906 | 45.920 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
400 | A | 500 | HOH | 0 | -0.052 | -0.102 | 25.050 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
401 | A | 501 | HOH | 0 | -0.003 | -0.012 | 26.447 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
402 | A | 502 | HOH | 0 | -0.005 | -0.019 | 37.164 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
403 | A | 503 | HOH | 0 | -0.004 | -0.012 | 45.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
404 | A | 504 | HOH | 0 | -0.067 | -0.054 | 26.476 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
405 | A | 505 | HOH | 0 | -0.011 | -0.008 | 32.979 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
406 | A | 506 | HOH | 0 | 0.013 | -0.010 | 36.555 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
407 | A | 507 | HOH | 0 | -0.014 | -0.008 | 46.216 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
408 | A | 508 | HOH | 0 | 0.005 | 0.002 | 48.962 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
409 | A | 509 | HOH | 0 | -0.027 | -0.013 | 28.761 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
410 | A | 510 | HOH | 0 | -0.040 | -0.030 | 41.658 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
411 | A | 511 | HOH | 0 | 0.011 | 0.002 | 36.216 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
412 | A | 512 | HOH | 0 | 0.019 | 0.016 | 41.380 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
413 | A | 513 | HOH | 0 | -0.019 | -0.021 | 29.720 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
414 | A | 514 | HOH | 0 | 0.033 | 0.018 | 41.878 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
415 | A | 515 | HOH | 0 | -0.002 | -0.005 | 36.812 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
416 | A | 516 | HOH | 0 | -0.011 | -0.003 | 32.664 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
417 | A | 517 | HOH | 0 | 0.031 | 0.013 | 49.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
418 | A | 518 | HOH | 0 | -0.006 | -0.010 | 55.247 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
419 | A | 519 | HOH | 0 | 0.003 | -0.008 | 57.056 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
420 | A | 520 | HOH | 0 | -0.034 | -0.019 | 43.207 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
421 | A | 521 | HOH | 0 | -0.023 | -0.022 | 36.983 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
422 | A | 522 | HOH | 0 | -0.022 | -0.014 | 26.468 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
423 | A | 523 | HOH | 0 | 0.022 | 0.005 | 49.869 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
424 | A | 524 | HOH | 0 | -0.022 | -0.019 | 38.833 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
425 | A | 525 | HOH | 0 | 0.028 | 0.005 | 43.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
426 | A | 526 | HOH | 0 | -0.034 | -0.026 | 24.451 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
427 | A | 527 | HOH | 0 | -0.073 | -0.057 | 9.290 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
428 | A | 528 | HOH | 0 | -0.024 | -0.018 | 27.672 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
429 | A | 529 | HOH | 0 | 0.005 | -0.006 | 32.093 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
430 | A | 530 | HOH | 0 | -0.047 | -0.045 | 50.547 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
431 | A | 531 | HOH | 0 | -0.042 | -0.026 | 28.586 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
432 | A | 532 | HOH | 0 | -0.037 | -0.028 | 15.337 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
433 | A | 533 | HOH | 0 | 0.009 | 0.005 | 16.180 | -0.008 | -0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
434 | A | 534 | HOH | 0 | 0.001 | -0.014 | 24.086 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
435 | A | 535 | HOH | 0 | 0.009 | 0.008 | 45.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
436 | A | 536 | HOH | 0 | 0.002 | -0.005 | 51.726 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
437 | A | 537 | HOH | 0 | 0.002 | -0.002 | 24.028 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
438 | A | 538 | HOH | 0 | 0.010 | 0.003 | 34.596 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
439 | A | 539 | HOH | 0 | -0.008 | -0.010 | 33.722 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
440 | A | 540 | HOH | 0 | -0.035 | -0.033 | 43.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
441 | A | 541 | HOH | 0 | -0.021 | -0.023 | 36.763 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
442 | A | 542 | HOH | 0 | 0.013 | 0.005 | 37.814 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
443 | A | 543 | HOH | 0 | -0.010 | -0.004 | 51.566 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
444 | A | 544 | HOH | 0 | -0.039 | -0.027 | 43.153 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
445 | A | 545 | HOH | 0 | -0.017 | -0.012 | 47.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
446 | A | 546 | HOH | 0 | -0.024 | -0.028 | 44.638 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
447 | A | 547 | HOH | 0 | -0.055 | -0.046 | 61.797 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
448 | A | 548 | HOH | 0 | 0.034 | 0.020 | 34.378 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
449 | A | 550 | HOH | 0 | 0.003 | -0.015 | 5.093 | 0.141 | 0.141 | 0.000 | 0.000 | 0.000 | 0.000 |
450 | A | 551 | HOH | 0 | 0.022 | 0.017 | 43.032 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
451 | A | 552 | HOH | 0 | 0.015 | -0.003 | 37.170 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
452 | A | 553 | HOH | 0 | -0.030 | -0.032 | 35.471 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
453 | A | 554 | HOH | 0 | -0.009 | -0.007 | 36.394 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
454 | A | 555 | HOH | 0 | -0.033 | -0.024 | 49.288 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
455 | A | 556 | HOH | 0 | -0.036 | -0.017 | 32.489 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
456 | A | 557 | HOH | 0 | 0.020 | 0.008 | 41.649 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
457 | A | 558 | HOH | 0 | 0.023 | 0.017 | 37.209 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
458 | A | 559 | HOH | 0 | -0.028 | -0.019 | 37.739 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
459 | A | 560 | HOH | 0 | -0.060 | -0.046 | 46.507 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
460 | A | 561 | HOH | 0 | -0.001 | -0.008 | 41.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
461 | A | 562 | HOH | 0 | 0.023 | 0.012 | 62.189 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
462 | A | 563 | HOH | 0 | -0.008 | -0.012 | 60.607 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
463 | A | 565 | HOH | 0 | 0.001 | -0.003 | 59.205 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
464 | A | 566 | HOH | 0 | -0.024 | -0.029 | 50.131 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
465 | A | 567 | HOH | 0 | -0.038 | -0.032 | 53.330 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
466 | A | 568 | HOH | 0 | 0.002 | 0.006 | 37.046 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
467 | A | 569 | HOH | 0 | -0.003 | -0.006 | 38.291 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
468 | A | 570 | HOH | 0 | 0.027 | 0.020 | 28.396 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
469 | A | 571 | HOH | 0 | 0.034 | 0.016 | 43.870 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
470 | A | 572 | HOH | 0 | 0.012 | 0.013 | 49.425 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
471 | A | 573 | HOH | 0 | 0.013 | 0.013 | 6.761 | 0.019 | 0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
472 | A | 574 | HOH | 0 | -0.014 | -0.011 | 30.404 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
473 | A | 575 | HOH | 0 | -0.039 | -0.030 | 27.229 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
474 | A | 576 | HOH | 0 | -0.060 | -0.048 | 48.895 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
475 | A | 577 | HOH | 0 | -0.066 | -0.044 | 55.672 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
476 | A | 578 | HOH | 0 | 0.032 | 0.016 | 51.528 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
477 | A | 579 | HOH | 0 | -0.040 | -0.030 | 50.467 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
478 | A | 580 | HOH | 0 | -0.062 | -0.042 | 34.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
479 | A | 581 | HOH | 0 | -0.006 | -0.003 | 5.089 | -0.201 | -0.201 | 0.000 | 0.000 | 0.000 | 0.000 |
480 | A | 582 | HOH | 0 | -0.005 | 0.006 | 54.815 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
481 | A | 583 | HOH | 0 | -0.034 | -0.027 | 33.828 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
482 | A | 584 | HOH | 0 | 0.011 | -0.003 | 43.896 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
483 | A | 585 | HOH | 0 | 0.037 | 0.021 | 30.237 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
484 | A | 586 | HOH | 0 | 0.018 | 0.013 | 34.130 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
485 | A | 587 | HOH | 0 | -0.032 | -0.028 | 32.125 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
486 | A | 588 | HOH | 0 | 0.013 | 0.006 | 43.988 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
487 | A | 589 | HOH | 0 | -0.036 | -0.021 | 5.063 | -0.103 | -0.095 | -0.001 | -0.001 | -0.006 | 0.000 |
488 | A | 590 | HOH | 0 | -0.041 | -0.028 | 33.443 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
489 | A | 591 | HOH | 0 | -0.049 | -0.026 | 14.622 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
490 | A | 592 | HOH | 0 | 0.041 | 0.029 | 27.910 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
491 | A | 593 | HOH | 0 | 0.012 | 0.008 | 59.143 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
492 | A | 594 | HOH | 0 | -0.001 | -0.009 | 44.400 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
493 | A | 595 | HOH | 0 | 0.027 | 0.018 | 16.003 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
494 | A | 596 | HOH | 0 | -0.030 | -0.044 | 21.781 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
495 | A | 597 | HOH | 0 | -0.002 | -0.035 | 38.005 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
496 | A | 598 | HOH | 0 | 0.032 | 0.026 | 28.565 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
497 | A | 599 | HOH | 0 | -0.048 | -0.031 | 46.708 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
498 | A | 600 | HOH | 0 | 0.008 | -0.014 | 40.696 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
499 | A | 601 | HOH | 0 | -0.053 | -0.048 | 60.374 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
500 | A | 602 | HOH | 0 | 0.001 | -0.017 | 40.921 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
501 | A | 603 | HOH | 0 | -0.044 | -0.027 | 47.576 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
502 | A | 604 | HOH | 0 | -0.001 | 0.004 | 39.204 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
503 | A | 605 | HOH | 0 | -0.041 | -0.031 | 19.299 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
504 | A | 606 | HOH | 0 | -0.022 | -0.009 | 56.212 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
505 | A | 607 | HOH | 0 | -0.012 | -0.011 | 53.734 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
506 | A | 608 | HOH | 0 | -0.012 | -0.010 | 56.866 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
507 | A | 609 | HOH | 0 | -0.045 | -0.030 | 24.238 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
508 | A | 610 | HOH | 0 | 0.038 | 0.029 | 30.687 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
509 | A | 611 | HOH | 0 | -0.033 | -0.029 | 29.764 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
510 | A | 612 | HOH | 0 | 0.028 | 0.019 | 12.780 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
511 | A | 613 | HOH | 0 | -0.014 | -0.007 | 3.866 | 0.305 | 0.353 | 0.000 | -0.013 | -0.035 | 0.000 |
512 | A | 614 | HOH | 0 | -0.074 | -0.061 | 30.464 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
513 | A | 615 | HOH | 0 | -0.045 | -0.037 | 65.871 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
514 | A | 616 | HOH | 0 | -0.049 | -0.030 | 25.172 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
515 | A | 617 | HOH | 0 | -0.015 | -0.019 | 23.294 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
516 | A | 618 | HOH | 0 | -0.035 | -0.031 | 16.352 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
517 | A | 619 | HOH | 0 | -0.006 | -0.003 | 18.101 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
518 | A | 621 | HOH | 0 | -0.049 | -0.028 | 30.714 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
519 | A | 622 | HOH | 0 | -0.011 | -0.029 | 38.514 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
520 | A | 623 | HOH | 0 | -0.007 | -0.005 | 49.423 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
521 | A | 624 | HOH | 0 | -0.041 | -0.031 | 55.688 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
522 | A | 625 | HOH | 0 | 0.007 | 0.000 | 28.463 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
523 | A | 626 | HOH | 0 | -0.026 | -0.021 | 38.770 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
524 | A | 629 | HOH | 0 | 0.013 | 0.013 | 42.823 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
525 | A | 630 | HOH | 0 | -0.030 | -0.021 | 37.843 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
526 | A | 631 | HOH | 0 | -0.008 | -0.011 | 34.426 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
527 | A | 632 | HOH | 0 | -0.053 | -0.038 | 36.173 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
528 | A | 633 | HOH | 0 | -0.006 | -0.005 | 27.411 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
529 | A | 634 | HOH | 0 | -0.012 | -0.020 | 42.935 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
530 | A | 635 | HOH | 0 | -0.058 | -0.044 | 60.042 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
531 | A | 636 | HOH | 0 | -0.044 | -0.032 | 9.463 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
532 | A | 637 | HOH | 0 | -0.008 | -0.009 | 35.351 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
533 | A | 638 | HOH | 0 | -0.019 | -0.024 | 36.414 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
534 | A | 639 | HOH | 0 | 0.031 | 0.019 | 27.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
535 | A | 640 | HOH | 0 | -0.013 | -0.010 | 40.751 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
536 | A | 642 | HOH | 0 | -0.042 | -0.037 | 49.160 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
537 | A | 643 | HOH | 0 | 0.025 | 0.018 | 38.989 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
538 | A | 644 | HOH | 0 | -0.013 | -0.010 | 37.987 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
539 | A | 646 | HOH | 0 | 0.000 | -0.002 | 44.621 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
540 | A | 647 | HOH | 0 | 0.032 | 0.032 | 52.857 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
541 | A | 648 | HOH | 0 | 0.002 | 0.002 | 54.162 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
542 | A | 650 | HOH | 0 | -0.032 | -0.026 | 25.466 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
543 | A | 651 | HOH | 0 | -0.021 | -0.022 | 57.194 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
544 | A | 652 | HOH | 0 | -0.032 | -0.027 | 43.301 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
545 | A | 653 | HOH | 0 | -0.001 | -0.010 | 33.737 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
546 | A | 654 | HOH | 0 | -0.013 | -0.007 | 22.429 | -0.006 | -0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
547 | A | 655 | HOH | 0 | -0.010 | -0.005 | 64.118 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
548 | A | 656 | HOH | 0 | -0.065 | -0.032 | 51.693 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
549 | A | 657 | HOH | 0 | -0.032 | -0.027 | 19.476 | -0.011 | -0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
550 | A | 658 | HOH | 0 | -0.021 | -0.011 | 38.291 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
551 | A | 659 | HOH | 0 | -0.061 | -0.059 | 27.278 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
552 | A | 660 | HOH | 0 | -0.011 | -0.007 | 62.290 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
553 | A | 662 | HOH | 0 | -0.030 | -0.022 | 20.978 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
554 | A | 663 | HOH | 0 | -0.035 | -0.038 | 55.608 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
555 | A | 664 | HOH | 0 | -0.027 | -0.014 | 51.894 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
556 | A | 665 | HOH | 0 | -0.022 | -0.021 | 48.360 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
557 | A | 666 | HOH | 0 | 0.000 | -0.004 | 44.591 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
558 | A | 667 | HOH | 0 | -0.021 | -0.014 | 48.786 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
559 | A | 668 | HOH | 0 | -0.060 | -0.049 | 58.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
560 | A | 669 | HOH | 0 | 0.033 | 0.023 | 33.996 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
561 | A | 670 | HOH | 0 | 0.005 | 0.004 | 20.931 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
562 | A | 671 | HOH | 0 | -0.016 | -0.023 | 29.123 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
563 | A | 672 | HOH | 0 | -0.010 | -0.014 | 11.665 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
564 | A | 673 | HOH | 0 | -0.043 | -0.028 | 32.130 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
565 | A | 674 | HOH | 0 | -0.011 | -0.004 | 30.458 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
566 | A | 675 | HOH | 0 | 0.009 | 0.007 | 35.100 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
567 | A | 676 | HOH | 0 | -0.019 | -0.007 | 37.100 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
568 | A | 677 | HOH | 0 | -0.005 | 0.008 | 52.585 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
569 | A | 678 | HOH | 0 | 0.010 | 0.003 | 39.083 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
570 | A | 680 | HOH | 0 | -0.026 | -0.022 | 53.759 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
571 | A | 681 | HOH | 0 | -0.003 | -0.001 | 21.763 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
572 | A | 683 | HOH | 0 | 0.002 | 0.005 | 15.032 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
573 | A | 684 | HOH | 0 | -0.050 | -0.059 | 52.761 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
574 | A | 685 | HOH | 0 | 0.020 | 0.016 | 28.289 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
575 | A | 686 | HOH | 0 | -0.019 | -0.019 | 47.591 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
576 | A | 687 | HOH | 0 | -0.001 | -0.012 | 27.944 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
577 | A | 688 | HOH | 0 | -0.017 | -0.006 | 11.004 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
578 | A | 689 | HOH | 0 | -0.047 | -0.029 | 43.868 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
579 | A | 690 | HOH | 0 | -0.016 | -0.010 | 17.814 | 0.011 | 0.011 | 0.000 | 0.000 | 0.000 | 0.000 |
580 | A | 691 | HOH | 0 | -0.043 | -0.028 | 9.300 | 0.052 | 0.052 | 0.000 | 0.000 | 0.000 | 0.000 |
581 | A | 692 | HOH | 0 | -0.038 | -0.025 | 14.755 | -0.016 | -0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
582 | A | 693 | HOH | 0 | -0.025 | -0.021 | 22.981 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
583 | A | 694 | HOH | 0 | -0.021 | -0.013 | 32.655 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
584 | A | 695 | HOH | 0 | -0.027 | -0.022 | 10.990 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
585 | A | 696 | HOH | 0 | 0.001 | -0.004 | 39.952 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
586 | A | 697 | HOH | 0 | -0.035 | -0.018 | 51.766 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
587 | A | 698 | HOH | 0 | -0.055 | -0.036 | 32.714 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
588 | A | 699 | HOH | 0 | -0.044 | -0.027 | 30.215 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
589 | A | 700 | HOH | 0 | -0.033 | -0.022 | 28.921 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
590 | A | 701 | HOH | 0 | -0.029 | -0.023 | 21.363 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
591 | A | 702 | HOH | 0 | -0.031 | -0.018 | 31.988 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
592 | A | 703 | HOH | 0 | -0.033 | -0.018 | 18.039 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
593 | A | 705 | HOH | 0 | 0.000 | 0.002 | 14.913 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
594 | A | 706 | HOH | 0 | -0.041 | -0.020 | 58.872 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
595 | A | 707 | HOH | 0 | -0.033 | -0.020 | 46.678 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
596 | A | 712 | HOH | 0 | -0.021 | -0.010 | 37.302 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
597 | A | 713 | HOH | 0 | -0.065 | -0.057 | 16.126 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
598 | A | 714 | HOH | 0 | 0.008 | 0.001 | 42.216 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
599 | A | 715 | HOH | 0 | -0.049 | -0.031 | 21.925 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
600 | A | 716 | HOH | 0 | 0.004 | 0.002 | 28.285 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
601 | A | 717 | HOH | 0 | -0.034 | -0.031 | 53.927 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
602 | A | 718 | HOH | 0 | -0.030 | -0.027 | 25.346 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
603 | A | 719 | HOH | 0 | 0.017 | 0.014 | 22.797 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
604 | A | 720 | HOH | 0 | -0.016 | -0.009 | 36.179 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
605 | A | 721 | HOH | 0 | -0.046 | -0.036 | 52.849 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
606 | A | 722 | HOH | 0 | -0.005 | -0.004 | 51.592 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
607 | A | 723 | HOH | 0 | -0.052 | -0.042 | 54.208 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
608 | A | 724 | HOH | 0 | 0.043 | 0.033 | 57.047 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
609 | A | 725 | HOH | 0 | 0.048 | 0.048 | 31.021 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
610 | A | 727 | HOH | 0 | 0.020 | 0.013 | 41.251 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
611 | A | 729 | HOH | 0 | 0.022 | 0.015 | 39.737 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
612 | A | 731 | HOH | 0 | -0.055 | -0.036 | 39.589 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
613 | A | 732 | HOH | 0 | 0.064 | 0.047 | 28.105 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
614 | A | 733 | HOH | 0 | -0.028 | -0.021 | 24.215 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
615 | A | 735 | HOH | 0 | -0.065 | -0.038 | 58.867 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
616 | A | 736 | HOH | 0 | -0.057 | -0.039 | 56.913 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
617 | A | 738 | HOH | 0 | 0.011 | 0.010 | 17.431 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
618 | A | 740 | HOH | 0 | -0.021 | -0.013 | 34.576 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
619 | A | 742 | HOH | 0 | 0.046 | 0.024 | 16.703 | 0.007 | 0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
620 | A | 743 | HOH | 0 | -0.012 | -0.004 | 32.519 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
621 | A | 744 | HOH | 0 | 0.070 | 0.045 | 63.996 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
622 | A | 746 | HOH | 0 | -0.050 | -0.041 | 8.860 | -0.101 | -0.101 | 0.000 | 0.000 | 0.000 | 0.000 |
623 | A | 747 | HOH | 0 | 0.004 | 0.000 | 11.965 | -0.025 | -0.025 | 0.000 | 0.000 | 0.000 | 0.000 |
624 | A | 749 | HOH | 0 | -0.043 | -0.026 | 26.281 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
625 | A | 751 | HOH | 0 | -0.040 | -0.032 | 38.123 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
626 | A | 752 | HOH | 0 | -0.048 | -0.036 | 38.972 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
627 | A | 753 | HOH | 0 | 0.004 | -0.001 | 23.627 | -0.003 | -0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
628 | A | 754 | HOH | 0 | -0.053 | -0.033 | 21.686 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
629 | A | 755 | HOH | 0 | -0.046 | -0.039 | 11.839 | 0.006 | 0.006 | 0.000 | 0.000 | 0.000 | 0.000 |
630 | A | 756 | HOH | 0 | -0.054 | -0.036 | 50.381 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
631 | A | 757 | HOH | 0 | -0.037 | -0.019 | 24.500 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
632 | A | 758 | HOH | 0 | 0.028 | 0.025 | 46.606 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
633 | A | 759 | HOH | 0 | -0.041 | -0.034 | 59.719 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
634 | A | 760 | HOH | 0 | -0.032 | -0.028 | 22.092 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
635 | A | 761 | HOH | 0 | -0.011 | -0.028 | 26.232 | -0.004 | -0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
636 | A | 762 | HOH | 0 | -0.044 | -0.031 | 37.315 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
637 | A | 763 | HOH | 0 | -0.032 | -0.015 | 61.351 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
638 | A | 764 | HOH | 0 | -0.036 | -0.017 | 29.573 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
639 | A | 765 | HOH | 0 | -0.002 | 0.008 | 32.653 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
640 | A | 766 | HOH | 0 | 0.009 | 0.009 | 50.471 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
641 | A | 767 | HOH | 0 | -0.004 | -0.014 | 8.615 | 0.094 | 0.094 | 0.000 | 0.000 | 0.000 | 0.000 |
642 | A | 768 | HOH | 0 | -0.009 | -0.010 | 34.823 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
643 | A | 792 | HOH | 0 | -0.047 | -0.055 | 43.617 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
644 | A | 800 | HOH | 0 | 0.019 | 0.019 | 23.200 | -0.002 | -0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
645 | A | 802 | HOH | 0 | -0.014 | -0.025 | 31.233 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
646 | A | 806 | HOH | 0 | -0.007 | -0.022 | 52.802 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
647 | A | 811 | HOH | 0 | -0.050 | -0.030 | 57.074 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
648 | A | 813 | HOH | 0 | -0.026 | -0.018 | 36.570 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
649 | A | 815 | HOH | 0 | -0.024 | -0.028 | 28.738 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
650 | A | 822 | HOH | 0 | -0.027 | -0.016 | 10.919 | -0.036 | -0.036 | 0.000 | 0.000 | 0.000 | 0.000 |
651 | A | 823 | HOH | 0 | -0.039 | -0.024 | 15.215 | 0.010 | 0.010 | 0.000 | 0.000 | 0.000 | 0.000 |
652 | A | 825 | HOH | 0 | -0.039 | -0.026 | 33.914 | 0.001 | 0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
653 | A | 826 | HOH | 0 | -0.017 | -0.014 | 21.163 | -0.005 | -0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
654 | A | 827 | HOH | 0 | -0.038 | -0.020 | 45.756 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
655 | A | 828 | HOH | 0 | 0.008 | 0.002 | 25.061 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
656 | A | 829 | HOH | 0 | 0.034 | 0.025 | 43.292 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
657 | A | 831 | HOH | 0 | 0.026 | 0.010 | 23.863 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
658 | A | 832 | HOH | 0 | -0.018 | -0.018 | 19.804 | 0.005 | 0.005 | 0.000 | 0.000 | 0.000 | 0.000 |
659 | A | 833 | HOH | 0 | -0.036 | -0.023 | 13.698 | -0.012 | -0.012 | 0.000 | 0.000 | 0.000 | 0.000 |
660 | A | 835 | HOH | 0 | -0.041 | -0.031 | 36.765 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
661 | A | 838 | HOH | 0 | 0.015 | 0.016 | 43.923 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
662 | A | 842 | HOH | 0 | -0.014 | -0.017 | 10.798 | 0.004 | 0.004 | 0.000 | 0.000 | 0.000 | 0.000 |
663 | A | 843 | HOH | 0 | 0.025 | 0.023 | 38.550 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
664 | A | 845 | HOH | 0 | -0.054 | -0.038 | 25.822 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
665 | A | 851 | HOH | 0 | -0.027 | -0.017 | 36.349 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
666 | A | 852 | HOH | 0 | -0.038 | -0.023 | 10.044 | -0.019 | -0.019 | 0.000 | 0.000 | 0.000 | 0.000 |
667 | A | 855 | HOH | 0 | -0.029 | -0.022 | 39.677 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
668 | A | 857 | HOH | 0 | -0.061 | -0.036 | 18.665 | -0.007 | -0.007 | 0.000 | 0.000 | 0.000 | 0.000 |
669 | A | 858 | HOH | 0 | -0.051 | -0.030 | 62.582 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
670 | A | 859 | HOH | 0 | -0.004 | -0.014 | 26.846 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
671 | A | 860 | HOH | 0 | -0.012 | -0.017 | 62.830 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
672 | A | 861 | HOH | 0 | 0.003 | 0.000 | 19.512 | 0.008 | 0.008 | 0.000 | 0.000 | 0.000 | 0.000 |
673 | A | 862 | HOH | 0 | -0.033 | -0.020 | 29.604 | 0.002 | 0.002 | 0.000 | 0.000 | 0.000 | 0.000 |
674 | A | 863 | HOH | 0 | -0.050 | -0.034 | 11.474 | 0.016 | 0.016 | 0.000 | 0.000 | 0.000 | 0.000 |
675 | A | 864 | HOH | 0 | -0.026 | -0.026 | 13.844 | 0.017 | 0.017 | 0.000 | 0.000 | 0.000 | 0.000 |
676 | A | 866 | HOH | 0 | -0.028 | -0.022 | 53.055 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
677 | A | 870 | HOH | 0 | 0.005 | 0.001 | 55.877 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
678 | A | 871 | HOH | 0 | -0.037 | -0.016 | 13.651 | 0.015 | 0.015 | 0.000 | 0.000 | 0.000 | 0.000 |
679 | A | 875 | HOH | 0 | 0.030 | 0.030 | 35.098 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
680 | A | 876 | HOH | 0 | -0.022 | -0.014 | 48.263 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
681 | A | 877 | HOH | 0 | -0.046 | -0.024 | 21.752 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
682 | A | 878 | HOH | 0 | -0.022 | -0.010 | 19.624 | 0.003 | 0.003 | 0.000 | 0.000 | 0.000 | 0.000 |
683 | A | 881 | HOH | 0 | -0.021 | -0.024 | 45.735 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
684 | A | 883 | HOH | 0 | -0.031 | -0.015 | 40.712 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
685 | A | 886 | HOH | 0 | -0.041 | -0.023 | 45.705 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
686 | A | 891 | HOH | 0 | 0.016 | 0.002 | 37.325 | -0.001 | -0.001 | 0.000 | 0.000 | 0.000 | 0.000 |
687 | A | 892 | HOH | 0 | 0.022 | 0.026 | 36.059 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
688 | A | 895 | HOH | 0 | -0.027 | -0.026 | 40.527 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
689 | A | 898 | HOH | 0 | -0.044 | -0.030 | 24.575 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
690 | A | 902 | HOH | 0 | -0.018 | -0.017 | 58.487 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
691 | A | 903 | HOH | 0 | -0.058 | -0.083 | 49.271 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |
692 | A | 905 | HOH | 0 | -0.025 | -0.015 | 52.819 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 | 0.000 |