NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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8487 |
1ma6   |
5486 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H LYS 1 1HT LYS 1 -0.466 2.417 -5.444
2 2H LYS 1 2HT LYS 1 -1.969 1.598 -5.330
3 3H LYS 1 3HT LYS 1 -1.049 1.906 -3.915
4 HA LYS 1 HA LYS 1 -1.518 4.097 -3.899
5 1HB LYS 1 2HB LYS 1 -2.682 5.078 -6.019
6 2HB LYS 1 1HB LYS 1 -0.940 4.846 -6.022
7 1HG LYS 1 2HG LYS 1 -1.543 2.537 -7.086
8 2HG LYS 1 1HG LYS 1 -3.064 3.340 -7.476
9 1HD LYS 1 2HD LYS 1 -1.973 4.016 -9.322
10 2HD LYS 1 1HD LYS 1 -1.260 5.221 -8.247
11 1HE LYS 1 2HE LYS 1 0.511 3.392 -7.773
12 2HE LYS 1 1HE LYS 1 -0.087 2.658 -9.261
13 1HZ LYS 1 1HZ LYS 1 1.792 4.077 -9.719
14 2HZ LYS 1 2HZ LYS 1 1.027 5.397 -8.989
15 3HZ LYS 1 3HZ LYS 1 0.400 4.742 -10.416
16 H TRP 2 H TRP 2 -2.957 2.288 -2.699
17 HA TRP 2 HA TRP 2 -5.504 1.808 -3.625
18 1HB TRP 2 2HB TRP 2 -6.145 1.373 -1.241
19 2HB TRP 2 1HB TRP 2 -4.836 0.426 -1.910
20 HD1 TRP 2 HD TRP 2 -4.917 0.191 0.967
21 HE1 TRP 2 1HE TRP 2 -3.272 1.282 2.608
22 HE3 TRP 2 3HE TRP 2 -3.152 4.017 -1.982
23 HZ2 TRP 2 2HZ TRP 2 -1.462 3.397 2.658
24 HZ3 TRP 2 3HZ TRP 2 -1.444 5.492 -1.044
25 HH2 TRP 2 HH TRP 2 -0.621 5.198 1.232
26 H TYR 3 H TYR 3 -5.193 3.999 -0.765
27 HA TYR 3 HA TYR 3 -7.278 5.579 -2.088
28 1HB TYR 3 2HB TYR 3 -8.135 6.005 0.283
29 2HB TYR 3 1HB TYR 3 -8.393 4.423 -0.427
30 HD1 TYR 3 1HD TYR 3 -7.079 6.208 2.360
31 HD2 TYR 3 2HD TYR 3 -6.755 2.555 0.216
32 HE1 TYR 3 1HE TYR 3 -6.087 5.148 4.332
33 HE2 TYR 3 2HE TYR 3 -5.724 1.490 2.180
34 HH TYR 3 HH TYR 3 -5.607 1.762 4.566
35 H PHE 4 H PHE 4 -7.284 7.293 0.444
36 HA PHE 4 HA PHE 4 -6.559 9.612 -0.332
37 1HB PHE 4 2HB PHE 4 -6.123 10.386 1.876
38 2HB PHE 4 1HB PHE 4 -7.356 9.141 1.930
39 HD1 PHE 4 1HD PHE 4 -5.168 6.856 1.671
40 HD2 PHE 4 2HD PHE 4 -5.710 10.210 4.225
41 HE1 PHE 4 1HE PHE 4 -3.934 5.686 3.452
42 HE2 PHE 4 2HE PHE 4 -4.473 9.056 6.010
43 HZ PHE 4 HZ PHE 4 -3.585 6.793 5.627
44 H ARG 5 H ARG 5 -3.906 7.366 0.416
45 HA ARG 5 HA ARG 5 -2.028 9.556 -0.020
46 1HB ARG 5 2HB ARG 5 -1.032 6.777 0.229
47 2HB ARG 5 1HB ARG 5 -0.373 8.265 0.869
48 1HG ARG 5 2HG ARG 5 -2.911 7.109 1.947
49 2HG ARG 5 1HG ARG 5 -1.332 6.568 2.518
50 1HD ARG 5 2HD ARG 5 -2.155 8.317 3.972
51 2HD ARG 5 1HD ARG 5 -0.755 8.896 3.077
52 HE ARG 5 HE ARG 5 -2.859 9.720 1.566
53 1HH1 ARG 5 1HH1 ARG 5 -2.025 10.085 4.937
54 2HH1 ARG 5 2HH1 ARG 5 -2.811 11.620 5.092
55 1HH2 ARG 5 1HH2 ARG 5 -3.886 11.737 1.768
56 2HH2 ARG 5 2HH2 ARG 5 -3.868 12.558 3.292
57 H VAL 6 H VAL 6 -3.024 6.555 -1.569
58 HA VAL 6 HA VAL 6 -2.412 5.677 -3.621
59 HB VAL 6 HB VAL 6 -4.282 6.813 -4.336
60 1HG1 VAL 6 1HG1 VAL 6 -3.988 8.711 -2.795
61 2HG1 VAL 6 2HG1 VAL 6 -4.548 9.222 -4.393
62 3HG1 VAL 6 3HG1 VAL 6 -2.857 9.440 -3.938
63 1HG2 VAL 6 1HG2 VAL 6 -2.716 8.516 -6.118
64 2HG2 VAL 6 2HG2 VAL 6 -3.811 7.186 -6.493
65 3HG2 VAL 6 3HG2 VAL 6 -2.135 6.851 -6.050
66 H TYR 7 H TYR 7 -0.070 5.722 -2.912
67 HA TYR 7 HA TYR 7 1.476 7.192 -4.891
68 1HB TYR 7 2HB TYR 7 3.101 7.885 -3.143
69 2HB TYR 7 1HB TYR 7 1.518 8.630 -2.979
70 HD1 TYR 7 1HD TYR 7 2.538 9.143 -0.661
71 HD2 TYR 7 2HD TYR 7 1.427 5.228 -1.908
72 HE1 TYR 7 1HE TYR 7 2.430 8.425 1.687
73 HE2 TYR 7 2HE TYR 7 1.314 4.504 0.430
74 HH TYR 7 HH TYR 7 2.180 5.138 2.597
75 H TYR 8 H TYR 8 0.777 4.240 -3.961
76 HA TYR 8 HA TYR 8 3.522 3.312 -4.408
77 1HB TYR 8 2HB TYR 8 3.463 3.041 -2.100
78 2HB TYR 8 1HB TYR 8 1.754 2.611 -2.101
79 HD1 TYR 8 1HD TYR 8 1.352 0.407 -1.473
80 HD2 TYR 8 2HD TYR 8 4.856 1.283 -3.725
81 HE1 TYR 8 1HE TYR 8 1.934 -1.962 -1.479
82 HE2 TYR 8 2HE TYR 8 5.444 -1.101 -3.738
83 HH TYR 8 HH TYR 8 4.984 -3.120 -2.389
84 H ARG 9 H ARG 9 0.848 1.274 -3.453
85 HA ARG 9 HA ARG 9 -0.621 0.020 -4.765
86 1HB ARG 9 2HB ARG 9 -0.422 -0.272 -7.043
87 2HB ARG 9 1HB ARG 9 0.403 1.265 -6.858
88 1HG ARG 9 2HG ARG 9 1.814 0.077 -8.257
89 2HG ARG 9 1HG ARG 9 2.549 -0.174 -6.670
90 1HD ARG 9 2HD ARG 9 2.423 -2.354 -7.040
91 2HD ARG 9 1HD ARG 9 0.670 -2.210 -6.927
92 HE ARG 9 HE ARG 9 0.540 -2.527 -9.188
93 1HH1 ARG 9 1HH1 ARG 9 3.820 -1.657 -8.373
94 2HH1 ARG 9 2HH1 ARG 9 4.424 -1.942 -9.970
95 1HH2 ARG 9 1HH2 ARG 9 1.334 -2.900 -11.291
96 2HH2 ARG 9 2HH2 ARG 9 3.014 -2.645 -11.626
97 H GLY 10 H GLY 10 -0.637 -1.923 -3.842
98 1HA GLY 10 2HA GLY 10 0.542 -4.182 -4.254
99 2HA GLY 10 1HA GLY 10 1.935 -3.329 -3.609
100 H ILE 11 H ILE 11 -0.224 -1.934 -1.808
101 HA ILE 11 HA ILE 11 0.358 -3.174 0.556
102 HB ILE 11 HB ILE 11 -2.283 -1.852 -0.048
103 1HG1 ILE 11 2HG1 ILE 11 -0.286 -0.204 1.263
104 2HG1 ILE 11 1HG1 ILE 11 0.263 -0.754 -0.317
105 1HG2 ILE 11 1HG2 ILE 11 -1.881 -1.159 2.439
106 2HG2 ILE 11 2HG2 ILE 11 -0.845 -2.586 2.460
107 3HG2 ILE 11 3HG2 ILE 11 -2.555 -2.743 2.057
108 1HD1 ILE 11 1HD1 ILE 11 -1.445 0.337 -1.429
109 2HD1 ILE 11 2HD1 ILE 11 -1.040 1.462 -0.129
110 3HD1 ILE 11 3HD1 ILE 11 -2.457 0.421 0.013
111 H TYR 12 H TYR 12 -2.076 -4.109 -1.780
112 HA TYR 12 HA TYR 12 -3.414 -5.942 -1.950
113 1HB TYR 12 2HB TYR 12 -1.097 -6.975 -1.349
114 2HB TYR 12 1HB TYR 12 -1.830 -7.282 0.223
115 HD1 TYR 12 1HD TYR 12 -1.886 -8.142 -3.343
116 HD2 TYR 12 2HD TYR 12 -3.567 -8.947 0.482
117 HE1 TYR 12 1HE TYR 12 -2.897 -10.202 -4.228
118 HE2 TYR 12 2HE TYR 12 -4.583 -11.008 -0.392
119 HH TYR 12 HH TYR 12 -5.227 -12.019 -2.446
120 H TYR 13 H TYR 13 -4.169 -3.866 -0.121
121 HA TYR 13 HA TYR 13 -5.206 -5.108 2.257
122 1HB TYR 13 2HB TYR 13 -5.770 -2.996 2.953
123 2HB TYR 13 1HB TYR 13 -4.523 -2.588 1.782
124 HD1 TYR 13 1HD TYR 13 -5.346 -2.048 -0.629
125 HD2 TYR 13 2HD TYR 13 -7.865 -2.011 2.798
126 HE1 TYR 13 1HE TYR 13 -6.945 -0.612 -1.826
127 HE2 TYR 13 2HE TYR 13 -9.472 -0.577 1.611
128 HH TYR 13 HH TYR 13 -9.503 0.994 -0.262
129 H ARG 14 H ARG 14 -6.491 -4.089 -0.864
130 HA ARG 14 HA ARG 14 -9.080 -5.289 -0.146
131 1HB ARG 14 2HB ARG 14 -8.311 -2.940 -1.720
132 2HB ARG 14 1HB ARG 14 -9.494 -3.963 -2.524
133 1HG ARG 14 2HG ARG 14 -9.807 -2.912 0.278
134 2HG ARG 14 1HG ARG 14 -10.469 -2.128 -1.158
135 1HD ARG 14 2HD ARG 14 -11.559 -4.418 -1.628
136 2HD ARG 14 1HD ARG 14 -11.205 -4.765 0.064
137 HE ARG 14 HE ARG 14 -12.481 -2.365 0.138
138 1HH1 ARG 14 1HH1 ARG 14 -13.254 -5.487 -1.218
139 2HH1 ARG 14 2HH1 ARG 14 -14.964 -5.287 -1.024
140 1HH2 ARG 14 1HH2 ARG 14 -14.730 -2.101 0.394
141 2HH2 ARG 14 2HH2 ARG 14 -15.801 -3.366 -0.110
142 H ARG 15 H ARG 15 -6.688 -6.760 -0.986
143 HA ARG 15 HA ARG 15 -7.681 -7.887 -3.523
144 1HB ARG 15 2HB ARG 15 -4.875 -8.190 -2.468
145 2HB ARG 15 1HB ARG 15 -5.462 -8.520 -4.091
146 1HG ARG 15 2HG ARG 15 -5.449 -5.767 -2.886
147 2HG ARG 15 1HG ARG 15 -4.097 -6.426 -3.810
148 1HD ARG 15 2HD ARG 15 -6.238 -6.945 -5.440
149 2HD ARG 15 1HD ARG 15 -6.676 -5.396 -4.722
150 HE ARG 15 HE ARG 15 -3.983 -5.488 -5.722
151 1HH1 ARG 15 1HH1 ARG 15 -7.320 -4.881 -6.541
152 2HH1 ARG 15 2HH1 ARG 15 -6.935 -3.874 -7.895
153 1HH2 ARG 15 1HH2 ARG 15 -3.474 -4.165 -7.503
154 2HH2 ARG 15 2HH2 ARG 15 -4.751 -3.467 -8.443
155 H TYR 16 H TYR 16 -8.602 -8.539 -0.832
156 HA TYR 16 HA TYR 16 -7.474 -10.935 0.109
157 1HB TYR 16 2HB TYR 16 -9.641 -9.256 0.806
158 2HB TYR 16 1HB TYR 16 -10.304 -10.876 0.614
159 HD1 TYR 16 1HD TYR 16 -7.122 -9.493 2.023
160 HD2 TYR 16 2HD TYR 16 -10.541 -11.949 2.635
161 HE1 TYR 16 1HE TYR 16 -6.284 -10.092 4.256
162 HE2 TYR 16 2HE TYR 16 -9.713 -12.554 4.870
163 HH TYR 16 HH TYR 16 -8.216 -11.728 6.567
164 H ARG 17 H ARG 17 -7.621 -12.982 -0.553
165 HA ARG 17 HA ARG 17 -8.162 -14.815 -1.786
166 1HB ARG 17 2HB ARG 17 -10.875 -13.630 -2.297
167 2HB ARG 17 1HB ARG 17 -10.432 -15.319 -2.100
168 1HG ARG 17 2HG ARG 17 -10.591 -13.212 0.041
169 2HG ARG 17 1HG ARG 17 -11.626 -14.627 -0.158
170 1HD ARG 17 2HD ARG 17 -10.256 -15.673 1.255
171 2HD ARG 17 1HD ARG 17 -9.073 -15.687 -0.054
172 HE ARG 17 HE ARG 17 -8.697 -13.268 1.102
173 1HH1 ARG 17 1HH1 ARG 17 -8.799 -16.525 2.351
174 2HH1 ARG 17 2HH1 ARG 17 -7.697 -16.196 3.645
175 1HH2 ARG 17 1HH2 ARG 17 -7.248 -12.834 2.802
176 2HH2 ARG 17 2HH2 ARG 17 -6.816 -14.101 3.902
Start of MODEL 2
1 1H LYS 1 1HT LYS 1 -2.781 2.415 -6.491
2 2H LYS 1 2HT LYS 1 -3.134 2.009 -4.862
3 3H LYS 1 3HT LYS 1 -3.517 3.570 -5.462
4 HA LYS 1 HA LYS 1 -5.162 2.754 -6.853
5 1HB LYS 1 2HB LYS 1 -5.497 0.468 -7.325
6 2HB LYS 1 1HB LYS 1 -3.757 0.693 -7.388
7 1HG LYS 1 2HG LYS 1 -5.169 -0.337 -4.946
8 2HG LYS 1 1HG LYS 1 -4.586 -1.388 -6.238
9 1HD LYS 1 2HD LYS 1 -2.568 -1.378 -5.310
10 2HD LYS 1 1HD LYS 1 -2.469 0.363 -5.573
11 1HE LYS 1 2HE LYS 1 -2.168 0.221 -3.290
12 2HE LYS 1 1HE LYS 1 -3.906 0.488 -3.402
13 1HZ LYS 1 1HZ LYS 1 -4.312 -1.480 -2.490
14 2HZ LYS 1 2HZ LYS 1 -2.670 -1.570 -2.101
15 3HZ LYS 1 3HZ LYS 1 -3.241 -2.281 -3.525
16 H TRP 2 H TRP 2 -4.319 2.545 -3.629
17 HA TRP 2 HA TRP 2 -6.805 1.499 -2.648
18 1HB TRP 2 2HB TRP 2 -4.623 1.127 -1.543
19 2HB TRP 2 1HB TRP 2 -4.522 2.839 -1.200
20 HD1 TRP 2 HD TRP 2 -4.254 1.007 1.145
21 HE1 TRP 2 1HE TRP 2 -5.948 0.961 3.058
22 HE3 TRP 2 3HE TRP 2 -8.381 2.701 -1.373
23 HZ2 TRP 2 2HZ TRP 2 -8.685 1.501 3.448
24 HZ3 TRP 2 3HZ TRP 2 -10.490 2.885 -0.155
25 HH2 TRP 2 HH TRP 2 -10.650 2.292 2.205
26 H TYR 3 H TYR 3 -5.698 4.258 -0.930
27 HA TYR 3 HA TYR 3 -7.644 6.004 -2.185
28 1HB TYR 3 2HB TYR 3 -8.681 6.512 0.002
29 2HB TYR 3 1HB TYR 3 -8.901 4.851 -0.517
30 HD1 TYR 3 1HD TYR 3 -5.730 4.515 0.455
31 HD2 TYR 3 2HD TYR 3 -9.454 5.542 2.218
32 HE1 TYR 3 1HE TYR 3 -4.921 3.670 2.593
33 HE2 TYR 3 2HE TYR 3 -8.656 4.704 4.386
34 HH TYR 3 HH TYR 3 -6.878 2.971 5.150
35 H PHE 4 H PHE 4 -6.862 7.058 0.952
36 HA PHE 4 HA PHE 4 -5.594 9.354 -0.022
37 1HB PHE 4 2HB PHE 4 -5.374 10.064 2.198
38 2HB PHE 4 1HB PHE 4 -6.909 9.200 2.091
39 HD1 PHE 4 1HD PHE 4 -5.093 6.475 2.100
40 HD2 PHE 4 2HD PHE 4 -5.652 9.829 4.658
41 HE1 PHE 4 1HE PHE 4 -4.408 5.109 4.034
42 HE2 PHE 4 2HE PHE 4 -4.970 8.475 6.591
43 HZ PHE 4 HZ PHE 4 -4.344 6.114 6.282
44 H ARG 5 H ARG 5 -3.971 7.672 -1.167
45 HA ARG 5 HA ARG 5 -1.507 8.515 -0.379
46 1HB ARG 5 2HB ARG 5 -0.584 6.193 0.378
47 2HB ARG 5 1HB ARG 5 -1.333 7.270 1.550
48 1HG ARG 5 2HG ARG 5 -2.121 5.052 1.933
49 2HG ARG 5 1HG ARG 5 -3.449 5.998 1.264
50 1HD ARG 5 2HD ARG 5 -1.668 4.386 -0.511
51 2HD ARG 5 1HD ARG 5 -3.012 3.632 0.346
52 HE ARG 5 HE ARG 5 -4.263 5.634 -0.825
53 1HH1 ARG 5 1HH1 ARG 5 -1.859 3.491 -2.165
54 2HH1 ARG 5 2HH1 ARG 5 -2.511 3.560 -3.765
55 1HH2 ARG 5 1HH2 ARG 5 -5.121 5.724 -2.928
56 2HH2 ARG 5 2HH2 ARG 5 -4.366 4.818 -4.195
57 H VAL 6 H VAL 6 -2.981 8.034 -2.753
58 HA VAL 6 HA VAL 6 -2.010 5.710 -4.069
59 HB VAL 6 HB VAL 6 -3.946 6.434 -5.081
60 1HG1 VAL 6 1HG1 VAL 6 -3.988 9.005 -5.848
61 2HG1 VAL 6 2HG1 VAL 6 -2.982 9.123 -4.403
62 3HG1 VAL 6 3HG1 VAL 6 -4.602 8.425 -4.295
63 1HG2 VAL 6 1HG2 VAL 6 -2.291 8.018 -6.962
64 2HG2 VAL 6 2HG2 VAL 6 -3.455 6.733 -7.279
65 3HG2 VAL 6 3HG2 VAL 6 -1.841 6.335 -6.691
66 H TYR 7 H TYR 7 0.181 6.073 -3.298
67 HA TYR 7 HA TYR 7 1.800 7.375 -5.345
68 1HB TYR 7 2HB TYR 7 3.203 8.483 -3.706
69 2HB TYR 7 1HB TYR 7 1.533 8.988 -3.490
70 HD1 TYR 7 1HD TYR 7 3.226 9.616 -1.339
71 HD2 TYR 7 2HD TYR 7 1.392 5.862 -2.146
72 HE1 TYR 7 1HE TYR 7 3.350 9.036 1.048
73 HE2 TYR 7 2HE TYR 7 1.503 5.274 0.226
74 HH TYR 7 HH TYR 7 1.903 7.355 2.615
75 H TYR 8 H TYR 8 1.119 4.594 -3.864
76 HA TYR 8 HA TYR 8 3.882 3.631 -4.075
77 1HB TYR 8 2HB TYR 8 3.784 3.615 -1.784
78 2HB TYR 8 1HB TYR 8 2.031 3.454 -1.752
79 HD1 TYR 8 1HD TYR 8 5.014 1.465 -2.816
80 HD2 TYR 8 2HD TYR 8 1.175 1.446 -0.963
81 HE1 TYR 8 1HE TYR 8 5.252 -0.936 -2.353
82 HE2 TYR 8 2HE TYR 8 1.419 -0.944 -0.491
83 HH TYR 8 HH TYR 8 4.076 -2.556 -0.380
84 H ARG 9 H ARG 9 0.867 2.063 -3.143
85 HA ARG 9 HA ARG 9 -0.527 0.664 -4.345
86 1HB ARG 9 2HB ARG 9 -0.164 0.002 -6.513
87 2HB ARG 9 1HB ARG 9 0.804 1.465 -6.466
88 1HG ARG 9 2HG ARG 9 2.614 -0.436 -5.698
89 2HG ARG 9 1HG ARG 9 1.614 -1.312 -6.860
90 1HD ARG 9 2HD ARG 9 2.019 1.151 -8.045
91 2HD ARG 9 1HD ARG 9 3.566 0.792 -7.281
92 HE ARG 9 HE ARG 9 3.930 -0.714 -8.942
93 1HH1 ARG 9 1HH1 ARG 9 0.479 -0.364 -8.555
94 2HH1 ARG 9 2HH1 ARG 9 0.098 -1.452 -9.846
95 1HH2 ARG 9 1HH2 ARG 9 3.430 -2.145 -10.640
96 2HH2 ARG 9 2HH2 ARG 9 1.772 -2.464 -11.030
97 H GLY 10 H GLY 10 -0.923 -1.279 -3.555
98 1HA GLY 10 2HA GLY 10 -0.269 -3.589 -3.240
99 2HA GLY 10 1HA GLY 10 1.366 -3.025 -2.933
100 H ILE 11 H ILE 11 -0.916 -1.014 -1.454
101 HA ILE 11 HA ILE 11 -0.069 -1.350 1.124
102 HB ILE 11 HB ILE 11 -2.775 -0.533 0.080
103 1HG1 ILE 11 2HG1 ILE 11 -1.585 1.493 1.605
104 2HG1 ILE 11 1HG1 ILE 11 -0.276 0.796 0.647
105 1HG2 ILE 11 1HG2 ILE 11 -1.887 -0.782 2.947
106 2HG2 ILE 11 2HG2 ILE 11 -3.328 -1.454 2.189
107 3HG2 ILE 11 3HG2 ILE 11 -3.200 0.284 2.451
108 1HD1 ILE 11 1HD1 ILE 11 -2.856 1.982 -0.344
109 2HD1 ILE 11 2HD1 ILE 11 -1.724 1.092 -1.368
110 3HD1 ILE 11 3HD1 ILE 11 -1.212 2.589 -0.586
111 H TYR 12 H TYR 12 -2.362 -3.296 -0.650
112 HA TYR 12 HA TYR 12 -3.237 -5.358 -0.237
113 1HB TYR 12 2HB TYR 12 -0.858 -5.485 1.059
114 2HB TYR 12 1HB TYR 12 -1.963 -5.709 2.411
115 HD1 TYR 12 1HD TYR 12 0.094 -7.645 0.948
116 HD2 TYR 12 2HD TYR 12 -4.137 -7.204 0.912
117 HE1 TYR 12 1HE TYR 12 -0.143 -10.017 0.353
118 HE2 TYR 12 2HE TYR 12 -4.385 -9.576 0.316
119 HH TYR 12 HH TYR 12 -2.597 -11.781 0.757
120 H TYR 13 H TYR 13 -4.188 -2.721 0.960
121 HA TYR 13 HA TYR 13 -5.412 -3.181 3.434
122 1HB TYR 13 2HB TYR 13 -6.706 -1.232 3.020
123 2HB TYR 13 1HB TYR 13 -5.161 -0.953 2.231
124 HD1 TYR 13 1HD TYR 13 -8.715 -1.109 1.813
125 HD2 TYR 13 2HD TYR 13 -5.022 -1.318 -0.290
126 HE1 TYR 13 1HE TYR 13 -9.893 -0.628 -0.291
127 HE2 TYR 13 2HE TYR 13 -6.191 -0.836 -2.400
128 HH TYR 13 HH TYR 13 -8.493 0.422 -2.985
129 H ARG 14 H ARG 14 -6.722 -3.452 0.150
130 HA ARG 14 HA ARG 14 -8.840 -5.200 1.236
131 1HB ARG 14 2HB ARG 14 -8.869 -3.157 -0.949
132 2HB ARG 14 1HB ARG 14 -9.962 -4.531 -1.048
133 1HG ARG 14 2HG ARG 14 -9.830 -2.829 1.412
134 2HG ARG 14 1HG ARG 14 -10.820 -2.372 0.023
135 1HD ARG 14 2HD ARG 14 -11.060 -5.138 1.094
136 2HD ARG 14 1HD ARG 14 -11.798 -3.819 2.003
137 HE ARG 14 HE ARG 14 -12.637 -3.465 -0.583
138 1HH1 ARG 14 1HH1 ARG 14 -12.844 -6.031 1.774
139 2HH1 ARG 14 2HH1 ARG 14 -14.345 -6.640 1.162
140 1HH2 ARG 14 1HH2 ARG 14 -14.609 -4.267 -1.391
141 2HH2 ARG 14 2HH2 ARG 14 -15.347 -5.640 -0.636
142 H ARG 15 H ARG 15 -7.882 -4.680 -2.116
143 HA ARG 15 HA ARG 15 -7.789 -6.352 -3.751
144 1HB ARG 15 2HB ARG 15 -5.277 -7.386 -2.986
145 2HB ARG 15 1HB ARG 15 -5.619 -6.092 -4.122
146 1HG ARG 15 2HG ARG 15 -5.683 -4.564 -2.060
147 2HG ARG 15 1HG ARG 15 -4.895 -5.901 -1.223
148 1HD ARG 15 2HD ARG 15 -3.473 -4.010 -2.343
149 2HD ARG 15 1HD ARG 15 -2.951 -5.691 -2.425
150 HE ARG 15 HE ARG 15 -3.125 -5.541 -4.684
151 1HH1 ARG 15 1HH1 ARG 15 -5.267 -3.157 -3.295
152 2HH1 ARG 15 2HH1 ARG 15 -5.762 -2.527 -4.829
153 1HH2 ARG 15 1HH2 ARG 15 -3.774 -4.709 -6.700
154 2HH2 ARG 15 2HH2 ARG 15 -4.915 -3.407 -6.761
155 H TYR 16 H TYR 16 -5.903 -8.173 -1.376
156 HA TYR 16 HA TYR 16 -6.051 -10.325 -0.662
157 1HB TYR 16 2HB TYR 16 -8.671 -9.163 -0.345
158 2HB TYR 16 1HB TYR 16 -8.812 -10.883 -0.699
159 HD1 TYR 16 1HD TYR 16 -7.620 -8.391 1.705
160 HD2 TYR 16 2HD TYR 16 -7.965 -12.545 0.857
161 HE1 TYR 16 1HE TYR 16 -7.093 -8.906 4.049
162 HE2 TYR 16 2HE TYR 16 -7.440 -13.073 3.202
163 HH TYR 16 HH TYR 16 -7.633 -11.866 5.448
164 H ARG 17 H ARG 17 -6.854 -12.556 -1.239
165 HA ARG 17 HA ARG 17 -8.055 -13.058 -3.746
166 1HB ARG 17 2HB ARG 17 -6.145 -13.833 -5.022
167 2HB ARG 17 1HB ARG 17 -5.907 -12.152 -4.569
168 1HG ARG 17 2HG ARG 17 -4.727 -14.438 -3.019
169 2HG ARG 17 1HG ARG 17 -3.899 -13.658 -4.368
170 1HD ARG 17 2HD ARG 17 -4.675 -11.519 -2.849
171 2HD ARG 17 1HD ARG 17 -4.316 -12.733 -1.622
172 HE ARG 17 HE ARG 17 -2.436 -11.291 -3.148
173 1HH1 ARG 17 1HH1 ARG 17 -3.030 -14.502 -1.918
174 2HH1 ARG 17 2HH1 ARG 17 -1.351 -14.918 -1.840
175 1HH2 ARG 17 1HH2 ARG 17 -0.228 -11.837 -3.047
176 2HH2 ARG 17 2HH2 ARG 17 0.240 -13.406 -2.482
Start of MODEL 3
1 1H LYS 1 1HT LYS 1 -0.301 2.547 -5.361
2 2H LYS 1 2HT LYS 1 -1.631 1.494 -5.617
3 3H LYS 1 3HT LYS 1 -1.153 1.904 -4.021
4 HA LYS 1 HA LYS 1 -1.671 4.210 -4.510
5 1HB LYS 1 2HB LYS 1 -3.282 3.307 -6.840
6 2HB LYS 1 1HB LYS 1 -2.540 4.867 -6.533
7 1HG LYS 1 2HG LYS 1 -0.962 2.419 -7.278
8 2HG LYS 1 1HG LYS 1 -1.602 3.561 -8.461
9 1HD LYS 1 2HD LYS 1 -0.337 5.370 -7.392
10 2HD LYS 1 1HD LYS 1 0.312 4.218 -6.223
11 1HE LYS 1 2HE LYS 1 1.798 3.376 -7.690
12 2HE LYS 1 1HE LYS 1 0.662 3.451 -9.035
13 1HZ LYS 1 1HZ LYS 1 2.395 4.965 -9.501
14 2HZ LYS 1 2HZ LYS 1 2.332 5.649 -7.956
15 3HZ LYS 1 3HZ LYS 1 1.065 5.907 -9.046
16 H TRP 2 H TRP 2 -2.558 2.618 -2.606
17 HA TRP 2 HA TRP 2 -5.045 1.456 -2.816
18 1HB TRP 2 2HB TRP 2 -3.797 1.030 -0.891
19 2HB TRP 2 1HB TRP 2 -3.528 2.735 -0.587
20 HD1 TRP 2 HD TRP 2 -4.246 2.101 1.954
21 HE1 TRP 2 1HE TRP 2 -6.566 2.089 3.047
22 HE3 TRP 2 3HE TRP 2 -7.113 1.806 -2.261
23 HZ2 TRP 2 2HZ TRP 2 -9.271 1.954 2.222
24 HZ3 TRP 2 3HZ TRP 2 -9.526 1.764 -2.024
25 HH2 TRP 2 HH TRP 2 -10.608 1.818 0.165
26 H TYR 3 H TYR 3 -5.108 4.178 -0.705
27 HA TYR 3 HA TYR 3 -7.192 5.435 -2.343
28 1HB TYR 3 2HB TYR 3 -8.309 6.096 -0.192
29 2HB TYR 3 1HB TYR 3 -8.301 4.372 -0.526
30 HD1 TYR 3 1HD TYR 3 -5.056 5.286 0.482
31 HD2 TYR 3 2HD TYR 3 -8.953 4.577 2.026
32 HE1 TYR 3 1HE TYR 3 -4.075 4.764 2.663
33 HE2 TYR 3 2HE TYR 3 -7.991 4.074 4.230
34 HH TYR 3 HH TYR 3 -5.915 4.571 5.496
35 H PHE 4 H PHE 4 -7.107 7.280 0.327
36 HA PHE 4 HA PHE 4 -6.344 9.586 -0.747
37 1HB PHE 4 2HB PHE 4 -6.159 10.503 1.393
38 2HB PHE 4 1HB PHE 4 -7.256 9.139 1.571
39 HD1 PHE 4 1HD PHE 4 -4.204 10.668 2.652
40 HD2 PHE 4 2HD PHE 4 -6.383 7.016 2.591
41 HE1 PHE 4 1HE PHE 4 -2.843 9.831 4.522
42 HE2 PHE 4 2HE PHE 4 -5.021 6.167 4.460
43 HZ PHE 4 HZ PHE 4 -3.250 7.579 5.429
44 H ARG 5 H ARG 5 -4.002 7.295 0.648
45 HA ARG 5 HA ARG 5 -1.805 9.062 0.242
46 1HB ARG 5 2HB ARG 5 -1.971 6.103 0.758
47 2HB ARG 5 1HB ARG 5 -0.436 6.925 0.504
48 1HG ARG 5 2HG ARG 5 -2.428 7.457 2.693
49 2HG ARG 5 1HG ARG 5 -0.840 6.710 2.859
50 1HD ARG 5 2HD ARG 5 -0.527 8.926 3.554
51 2HD ARG 5 1HD ARG 5 0.096 8.883 1.909
52 HE ARG 5 HE ARG 5 -2.439 9.709 1.522
53 1HH1 ARG 5 1HH1 ARG 5 0.046 10.778 3.740
54 2HH1 ARG 5 2HH1 ARG 5 -0.504 12.420 3.755
55 1HH2 ARG 5 1HH2 ARG 5 -3.146 11.871 1.536
56 2HH2 ARG 5 2HH2 ARG 5 -2.313 13.040 2.506
57 H VAL 6 H VAL 6 -3.202 6.419 -1.581
58 HA VAL 6 HA VAL 6 -2.480 5.560 -3.651
59 HB VAL 6 HB VAL 6 -4.446 6.747 -4.112
60 1HG1 VAL 6 1HG1 VAL 6 -2.977 9.370 -4.210
61 2HG1 VAL 6 2HG1 VAL 6 -3.713 8.755 -2.725
62 3HG1 VAL 6 3HG1 VAL 6 -4.716 9.086 -4.142
63 1HG2 VAL 6 1HG2 VAL 6 -2.394 6.683 -6.010
64 2HG2 VAL 6 2HG2 VAL 6 -3.135 8.276 -6.173
65 3HG2 VAL 6 3HG2 VAL 6 -4.127 6.826 -6.310
66 H TYR 7 H TYR 7 -0.081 5.735 -2.962
67 HA TYR 7 HA TYR 7 1.309 7.102 -5.097
68 1HB TYR 7 2HB TYR 7 2.727 8.431 -3.761
69 2HB TYR 7 1HB TYR 7 1.114 8.694 -3.108
70 HD1 TYR 7 1HD TYR 7 0.573 6.632 -1.283
71 HD2 TYR 7 2HD TYR 7 4.336 8.437 -2.113
72 HE1 TYR 7 1HE TYR 7 1.365 5.992 0.954
73 HE2 TYR 7 2HE TYR 7 5.139 7.801 0.123
74 HH TYR 7 HH TYR 7 3.861 7.289 2.463
75 H TYR 8 H TYR 8 0.774 4.328 -4.048
76 HA TYR 8 HA TYR 8 3.568 3.462 -4.113
77 1HB TYR 8 2HB TYR 8 3.367 3.129 -1.872
78 2HB TYR 8 1HB TYR 8 1.609 3.055 -1.939
79 HD1 TYR 8 1HD TYR 8 1.057 1.111 -0.750
80 HD2 TYR 8 2HD TYR 8 4.106 0.951 -3.708
81 HE1 TYR 8 1HE TYR 8 1.135 -1.308 -0.529
82 HE2 TYR 8 2HE TYR 8 4.154 -1.482 -3.527
83 HH TYR 8 HH TYR 8 1.806 -3.266 -1.818
84 H ARG 9 H ARG 9 0.909 1.278 -3.451
85 HA ARG 9 HA ARG 9 0.466 0.511 -6.147
86 1HB ARG 9 2HB ARG 9 1.872 -1.459 -4.361
87 2HB ARG 9 1HB ARG 9 1.247 -1.795 -5.961
88 1HG ARG 9 2HG ARG 9 3.399 0.240 -5.458
89 2HG ARG 9 1HG ARG 9 3.728 -1.457 -5.792
90 1HD ARG 9 2HD ARG 9 2.015 -0.867 -7.805
91 2HD ARG 9 1HD ARG 9 2.826 0.684 -7.596
92 HE ARG 9 HE ARG 9 4.645 -0.226 -8.609
93 1HH1 ARG 9 1HH1 ARG 9 2.781 -2.822 -7.209
94 2HH1 ARG 9 2HH1 ARG 9 3.821 -4.065 -7.819
95 1HH2 ARG 9 1HH2 ARG 9 6.013 -1.859 -9.414
96 2HH2 ARG 9 2HH2 ARG 9 5.656 -3.519 -9.071
97 H GLY 10 H GLY 10 0.446 -0.933 -2.947
98 1HA GLY 10 2HA GLY 10 -2.399 -0.784 -2.748
99 2HA GLY 10 1HA GLY 10 -1.817 -2.425 -2.998
100 H ILE 11 H ILE 11 -0.867 0.390 -1.095
101 HA ILE 11 HA ILE 11 0.487 -0.416 0.962
102 HB ILE 11 HB ILE 11 -1.683 0.838 2.257
103 1HG1 ILE 11 2HG1 ILE 11 -2.104 1.311 -0.333
104 2HG1 ILE 11 1HG1 ILE 11 -2.534 2.419 0.955
105 1HG2 ILE 11 1HG2 ILE 11 -0.052 2.766 2.312
106 2HG2 ILE 11 2HG2 ILE 11 1.028 1.729 1.378
107 3HG2 ILE 11 3HG2 ILE 11 0.501 1.232 2.987
108 1HD1 ILE 11 1HD1 ILE 11 -1.271 3.248 -1.134
109 2HD1 ILE 11 2HD1 ILE 11 0.147 2.597 -0.299
110 3HD1 ILE 11 3HD1 ILE 11 -0.841 3.850 0.473
111 H TYR 12 H TYR 12 -3.005 -0.474 1.613
112 HA TYR 12 HA TYR 12 -4.258 -1.843 2.928
113 1HB TYR 12 2HB TYR 12 -2.719 -3.548 1.177
114 2HB TYR 12 1HB TYR 12 -2.983 -4.348 2.722
115 HD1 TYR 12 1HD TYR 12 -4.653 -5.919 2.422
116 HD2 TYR 12 2HD TYR 12 -5.153 -2.050 0.731
117 HE1 TYR 12 1HE TYR 12 -6.932 -6.526 1.732
118 HE2 TYR 12 2HE TYR 12 -7.434 -2.644 0.032
119 HH TYR 12 HH TYR 12 -8.609 -5.862 0.127
120 H TYR 13 H TYR 13 -1.790 -0.533 3.929
121 HA TYR 13 HA TYR 13 -0.370 -2.092 5.721
122 1HB TYR 13 2HB TYR 13 0.236 -0.021 6.828
123 2HB TYR 13 1HB TYR 13 0.234 0.215 5.087
124 HD1 TYR 13 1HD TYR 13 -1.184 1.849 4.067
125 HD2 TYR 13 2HD TYR 13 -1.653 0.878 8.194
126 HE1 TYR 13 1HE TYR 13 -2.668 3.787 4.357
127 HE2 TYR 13 2HE TYR 13 -3.139 2.814 8.484
128 HH TYR 13 HH TYR 13 -3.551 4.999 7.379
129 H ARG 14 H ARG 14 -3.618 -0.936 5.898
130 HA ARG 14 HA ARG 14 -3.794 -1.686 8.732
131 1HB ARG 14 2HB ARG 14 -5.175 0.270 7.037
132 2HB ARG 14 1HB ARG 14 -6.260 -0.669 8.051
133 1HG ARG 14 2HG ARG 14 -4.919 -0.022 10.021
134 2HG ARG 14 1HG ARG 14 -3.928 0.996 8.975
135 1HD ARG 14 2HD ARG 14 -6.552 1.713 8.387
136 2HD ARG 14 1HD ARG 14 -6.525 1.513 10.139
137 HE ARG 14 HE ARG 14 -5.316 3.609 8.634
138 1HH1 ARG 14 1HH1 ARG 14 -4.980 1.694 11.532
139 2HH1 ARG 14 2HH1 ARG 14 -4.076 2.906 12.378
140 1HH2 ARG 14 1HH2 ARG 14 -4.132 5.205 9.744
141 2HH2 ARG 14 2HH2 ARG 14 -3.597 4.902 11.362
142 H ARG 15 H ARG 15 -5.524 -2.098 5.650
143 HA ARG 15 HA ARG 15 -7.242 -4.145 6.585
144 1HB ARG 15 2HB ARG 15 -6.415 -3.941 3.707
145 2HB ARG 15 1HB ARG 15 -7.988 -4.347 4.381
146 1HG ARG 15 2HG ARG 15 -7.910 -1.876 5.252
147 2HG ARG 15 1HG ARG 15 -6.739 -1.679 3.946
148 1HD ARG 15 2HD ARG 15 -8.355 -1.645 2.420
149 2HD ARG 15 1HD ARG 15 -9.033 -3.154 3.028
150 HE ARG 15 HE ARG 15 -10.695 -1.919 3.960
151 1HH1 ARG 15 1HH1 ARG 15 -7.880 0.125 3.667
152 2HH1 ARG 15 2HH1 ARG 15 -8.681 1.527 4.290
153 1HH2 ARG 15 1HH2 ARG 15 -11.749 -0.074 4.776
154 2HH2 ARG 15 2HH2 ARG 15 -10.877 1.417 4.919
155 H TYR 16 H TYR 16 -4.495 -4.376 4.328
156 HA TYR 16 HA TYR 16 -2.995 -6.026 3.910
157 1HB TYR 16 2HB TYR 16 -2.828 -5.635 6.530
158 2HB TYR 16 1HB TYR 16 -3.454 -7.280 6.577
159 HD1 TYR 16 1HD TYR 16 -2.017 -9.107 6.267
160 HD2 TYR 16 2HD TYR 16 -0.703 -5.211 5.171
161 HE1 TYR 16 1HE TYR 16 0.249 -9.984 5.885
162 HE2 TYR 16 2HE TYR 16 1.566 -6.079 4.787
163 HH TYR 16 HH TYR 16 2.959 -7.928 5.401
164 H ARG 17 H ARG 17 -3.385 -7.619 2.551
165 HA ARG 17 HA ARG 17 -5.773 -9.177 2.668
166 1HB ARG 17 2HB ARG 17 -3.343 -9.222 0.893
167 2HB ARG 17 1HB ARG 17 -4.616 -10.425 0.742
168 1HG ARG 17 2HG ARG 17 -5.806 -9.041 -0.504
169 2HG ARG 17 1HG ARG 17 -5.818 -7.850 0.796
170 1HD ARG 17 2HD ARG 17 -3.442 -7.266 -0.038
171 2HD ARG 17 1HD ARG 17 -3.919 -8.119 -1.505
172 HE ARG 17 HE ARG 17 -5.879 -6.210 -0.794
173 1HH1 ARG 17 1HH1 ARG 17 -2.671 -6.460 -2.146
174 2HH1 ARG 17 2HH1 ARG 17 -2.807 -4.995 -3.060
175 1HH2 ARG 17 1HH2 ARG 17 -6.062 -4.286 -1.998
176 2HH2 ARG 17 2HH2 ARG 17 -4.733 -3.760 -2.977
Start of MODEL 4
1 1H LYS 1 1HT LYS 1 -3.226 2.455 3.261
2 2H LYS 1 2HT LYS 1 -3.127 1.134 2.173
3 3H LYS 1 3HT LYS 1 -4.621 1.924 2.425
4 HA LYS 1 HA LYS 1 -3.533 3.979 1.619
5 1HB LYS 1 2HB LYS 1 -1.646 2.567 -0.056
6 2HB LYS 1 1HB LYS 1 -1.387 3.939 0.994
7 1HG LYS 1 2HG LYS 1 -1.454 1.138 2.058
8 2HG LYS 1 1HG LYS 1 0.009 1.863 1.400
9 1HD LYS 1 2HD LYS 1 -0.730 3.827 3.060
10 2HD LYS 1 1HD LYS 1 -1.437 2.454 3.913
11 1HE LYS 1 2HE LYS 1 0.561 1.700 4.573
12 2HE LYS 1 1HE LYS 1 1.274 1.943 2.980
13 1HZ LYS 1 1HZ LYS 1 1.899 3.375 5.162
14 2HZ LYS 1 2HZ LYS 1 0.741 4.377 4.445
15 3HZ LYS 1 3HZ LYS 1 2.115 3.917 3.574
16 H TRP 2 H TRP 2 -2.671 2.934 -1.256
17 HA TRP 2 HA TRP 2 -3.622 2.483 -3.214
18 1HB TRP 2 2HB TRP 2 -5.597 1.007 -3.403
19 2HB TRP 2 1HB TRP 2 -4.259 0.317 -2.506
20 HD1 TRP 2 HD TRP 2 -4.788 -0.590 -0.152
21 HE1 TRP 2 1HE TRP 2 -6.855 -0.550 1.387
22 HE3 TRP 2 3HE TRP 2 -7.777 2.468 -2.922
23 HZ2 TRP 2 2HZ TRP 2 -9.456 0.570 1.371
24 HZ3 TRP 2 3HZ TRP 2 -10.037 2.965 -2.113
25 HH2 TRP 2 HH TRP 2 -10.869 2.031 -0.014
26 H TYR 3 H TYR 3 -5.295 4.401 -0.954
27 HA TYR 3 HA TYR 3 -6.604 5.795 -3.140
28 1HB TYR 3 2HB TYR 3 -8.663 6.109 -1.736
29 2HB TYR 3 1HB TYR 3 -8.404 4.469 -2.296
30 HD1 TYR 3 1HD TYR 3 -9.716 6.088 0.348
31 HD2 TYR 3 2HD TYR 3 -6.663 3.268 -0.451
32 HE1 TYR 3 1HE TYR 3 -9.897 5.241 2.654
33 HE2 TYR 3 2HE TYR 3 -6.798 2.398 1.829
34 HH TYR 3 HH TYR 3 -8.610 2.344 3.658
35 H PHE 4 H PHE 4 -6.856 6.235 0.370
36 HA PHE 4 HA PHE 4 -6.354 8.999 0.265
37 1HB PHE 4 2HB PHE 4 -6.376 8.934 2.675
38 2HB PHE 4 1HB PHE 4 -7.616 7.835 2.085
39 HD1 PHE 4 1HD PHE 4 -6.403 5.352 1.601
40 HD2 PHE 4 2HD PHE 4 -5.380 8.187 4.591
41 HE1 PHE 4 1HE PHE 4 -5.485 3.530 2.971
42 HE2 PHE 4 2HE PHE 4 -4.440 6.381 5.976
43 HZ PHE 4 HZ PHE 4 -4.491 4.053 5.170
44 H ARG 5 H ARG 5 -4.341 8.513 -1.169
45 HA ARG 5 HA ARG 5 -2.041 9.393 0.102
46 1HB ARG 5 2HB ARG 5 -0.728 7.183 -0.040
47 2HB ARG 5 1HB ARG 5 -1.786 7.424 1.345
48 1HG ARG 5 2HG ARG 5 -2.441 5.331 0.805
49 2HG ARG 5 1HG ARG 5 -3.503 6.195 -0.301
50 1HD ARG 5 2HD ARG 5 -1.024 5.884 -1.602
51 2HD ARG 5 1HD ARG 5 -1.430 4.324 -0.908
52 HE ARG 5 HE ARG 5 -3.652 5.447 -2.267
53 1HH1 ARG 5 1HH1 ARG 5 -0.692 3.690 -2.741
54 2HH1 ARG 5 2HH1 ARG 5 -1.095 3.208 -4.352
55 1HH2 ARG 5 1HH2 ARG 5 -4.163 4.845 -4.417
56 2HH2 ARG 5 2HH2 ARG 5 -3.051 3.856 -5.302
57 H VAL 6 H VAL 6 -3.075 7.030 -2.285
58 HA VAL 6 HA VAL 6 -2.225 6.453 -4.332
59 HB VAL 6 HB VAL 6 -3.761 7.848 -5.240
60 1HG1 VAL 6 1HG1 VAL 6 -2.409 10.032 -3.729
61 2HG1 VAL 6 2HG1 VAL 6 -4.079 9.462 -3.640
62 3HG1 VAL 6 3HG1 VAL 6 -3.536 10.400 -5.037
63 1HG2 VAL 6 1HG2 VAL 6 -2.823 8.713 -7.115
64 2HG2 VAL 6 2HG2 VAL 6 -1.421 7.835 -6.497
65 3HG2 VAL 6 3HG2 VAL 6 -1.566 9.574 -6.227
66 H TYR 7 H TYR 7 -0.174 6.023 -3.257
67 HA TYR 7 HA TYR 7 2.007 7.320 -4.658
68 1HB TYR 7 2HB TYR 7 3.282 7.669 -2.586
69 2HB TYR 7 1HB TYR 7 1.787 8.591 -2.585
70 HD1 TYR 7 1HD TYR 7 2.619 8.641 -0.071
71 HD2 TYR 7 2HD TYR 7 0.951 5.216 -1.971
72 HE1 TYR 7 1HE TYR 7 2.033 7.702 2.123
73 HE2 TYR 7 2HE TYR 7 0.362 4.267 0.211
74 HH TYR 7 HH TYR 7 0.522 6.111 3.104
75 H TYR 8 H TYR 8 0.529 4.591 -4.122
76 HA TYR 8 HA TYR 8 2.893 2.936 -4.318
77 1HB TYR 8 2HB TYR 8 2.616 3.297 -1.912
78 2HB TYR 8 1HB TYR 8 0.946 2.767 -2.021
79 HD1 TYR 8 1HD TYR 8 4.392 1.539 -2.757
80 HD2 TYR 8 2HD TYR 8 0.453 0.557 -1.461
81 HE1 TYR 8 1HE TYR 8 5.122 -0.764 -2.298
82 HE2 TYR 8 2HE TYR 8 1.178 -1.740 -1.007
83 HH TYR 8 HH TYR 8 3.772 -2.783 -0.427
84 H ARG 9 H ARG 9 1.908 0.468 -4.012
85 HA ARG 9 HA ARG 9 -0.706 -0.031 -4.845
86 1HB ARG 9 2HB ARG 9 -0.007 -0.905 -7.191
87 2HB ARG 9 1HB ARG 9 -0.312 0.814 -6.982
88 1HG ARG 9 2HG ARG 9 1.717 1.286 -7.717
89 2HG ARG 9 1HG ARG 9 2.431 0.330 -6.414
90 1HD ARG 9 2HD ARG 9 3.163 -1.098 -7.953
91 2HD ARG 9 1HD ARG 9 1.487 -1.525 -8.290
92 HE ARG 9 HE ARG 9 1.717 -0.478 -10.293
93 1HH1 ARG 9 1HH1 ARG 9 4.025 0.917 -8.077
94 2HH1 ARG 9 2HH1 ARG 9 4.716 1.971 -9.264
95 1HH2 ARG 9 1HH2 ARG 9 2.625 0.907 -11.856
96 2HH2 ARG 9 2HH2 ARG 9 3.920 1.966 -11.411
97 H GLY 10 H GLY 10 0.001 -1.380 -2.987
98 1HA GLY 10 2HA GLY 10 0.768 -4.014 -3.963
99 2HA GLY 10 1HA GLY 10 1.847 -3.298 -2.781
100 H ILE 11 H ILE 11 -0.660 -2.024 -1.502
101 HA ILE 11 HA ILE 11 -1.014 -3.452 0.715
102 HB ILE 11 HB ILE 11 -3.199 -2.065 -0.856
103 1HG1 ILE 11 2HG1 ILE 11 -2.260 -0.900 1.661
104 2HG1 ILE 11 1HG1 ILE 11 -0.995 -1.034 0.440
105 1HG2 ILE 11 1HG2 ILE 11 -4.618 -3.126 0.523
106 2HG2 ILE 11 2HG2 ILE 11 -4.036 -1.981 1.734
107 3HG2 ILE 11 3HG2 ILE 11 -3.339 -3.600 1.644
108 1HD1 ILE 11 1HD1 ILE 11 -1.802 0.971 -0.164
109 2HD1 ILE 11 2HD1 ILE 11 -3.414 0.653 0.505
110 3HD1 ILE 11 3HD1 ILE 11 -2.952 -0.016 -1.065
111 H TYR 12 H TYR 12 -3.507 -3.756 -1.733
112 HA TYR 12 HA TYR 12 -3.525 -6.411 -2.317
113 1HB TYR 12 2HB TYR 12 -3.874 -7.344 -0.257
114 2HB TYR 12 1HB TYR 12 -4.557 -5.867 0.408
115 HD1 TYR 12 1HD TYR 12 -6.616 -6.330 1.335
116 HD2 TYR 12 2HD TYR 12 -5.629 -8.108 -2.404
117 HE1 TYR 12 1HE TYR 12 -8.867 -7.310 1.209
118 HE2 TYR 12 2HE TYR 12 -7.870 -9.091 -2.537
119 HH TYR 12 HH TYR 12 -10.413 -8.110 -0.864
120 H TYR 13 H TYR 13 -5.268 -3.527 -1.501
121 HA TYR 13 HA TYR 13 -7.762 -3.809 -2.438
122 1HB TYR 13 2HB TYR 13 -7.741 -1.592 -2.148
123 2HB TYR 13 1HB TYR 13 -5.989 -1.658 -2.018
124 HD1 TYR 13 1HD TYR 13 -8.731 -0.399 -3.895
125 HD2 TYR 13 2HD TYR 13 -4.652 -1.563 -4.230
126 HE1 TYR 13 1HE TYR 13 -8.527 0.929 -5.955
127 HE2 TYR 13 2HE TYR 13 -4.437 -0.238 -6.291
128 HH TYR 13 HH TYR 13 -5.484 1.581 -7.429
129 H ARG 14 H ARG 14 -4.844 -3.565 -4.346
130 HA ARG 14 HA ARG 14 -6.086 -3.343 -6.874
131 1HB ARG 14 2HB ARG 14 -3.896 -3.967 -7.804
132 2HB ARG 14 1HB ARG 14 -3.753 -2.739 -6.555
133 1HG ARG 14 2HG ARG 14 -2.855 -4.251 -5.011
134 2HG ARG 14 1HG ARG 14 -3.368 -5.650 -5.953
135 1HD ARG 14 2HD ARG 14 -1.166 -3.698 -6.576
136 2HD ARG 14 1HD ARG 14 -1.030 -5.431 -6.277
137 HE ARG 14 HE ARG 14 -1.624 -4.164 -8.757
138 1HH1 ARG 14 1HH1 ARG 14 -2.252 -7.035 -6.871
139 2HH1 ARG 14 2HH1 ARG 14 -2.584 -8.021 -8.255
140 1HH2 ARG 14 1HH2 ARG 14 -2.063 -5.458 -10.576
141 2HH2 ARG 14 2HH2 ARG 14 -2.476 -7.126 -10.360
142 H ARG 15 H ARG 15 -5.051 -6.167 -5.008
143 HA ARG 15 HA ARG 15 -5.597 -8.045 -7.083
144 1HB ARG 15 2HB ARG 15 -5.843 -8.997 -4.296
145 2HB ARG 15 1HB ARG 15 -4.917 -9.658 -5.633
146 1HG ARG 15 2HG ARG 15 -3.413 -7.553 -5.228
147 2HG ARG 15 1HG ARG 15 -4.156 -7.602 -3.628
148 1HD ARG 15 2HD ARG 15 -3.446 -10.239 -4.152
149 2HD ARG 15 1HD ARG 15 -2.093 -9.287 -4.761
150 HE ARG 15 HE ARG 15 -2.534 -8.217 -2.323
151 1HH1 ARG 15 1HH1 ARG 15 -2.077 -11.497 -3.426
152 2HH1 ARG 15 2HH1 ARG 15 -1.355 -12.028 -1.945
153 1HH2 ARG 15 1HH2 ARG 15 -1.585 -8.915 -0.373
154 2HH2 ARG 15 2HH2 ARG 15 -1.075 -10.562 -0.212
155 H TYR 16 H TYR 16 -7.598 -6.194 -5.108
156 HA TYR 16 HA TYR 16 -9.721 -7.743 -4.402
157 1HB TYR 16 2HB TYR 16 -10.981 -5.781 -4.275
158 2HB TYR 16 1HB TYR 16 -9.326 -5.194 -4.155
159 HD1 TYR 16 1HD TYR 16 -8.601 -5.390 -7.091
160 HD2 TYR 16 2HD TYR 16 -12.047 -3.856 -5.123
161 HE1 TYR 16 1HE TYR 16 -8.999 -3.872 -8.984
162 HE2 TYR 16 2HE TYR 16 -12.456 -2.336 -7.010
163 HH TYR 16 HH TYR 16 -10.925 -1.251 -8.869
164 H ARG 17 H ARG 17 -11.974 -7.650 -5.483
165 HA ARG 17 HA ARG 17 -12.294 -7.502 -8.249
166 1HB ARG 17 2HB ARG 17 -12.406 -9.916 -8.827
167 2HB ARG 17 1HB ARG 17 -10.781 -9.370 -8.440
168 1HG ARG 17 2HG ARG 17 -12.282 -10.428 -6.156
169 2HG ARG 17 1HG ARG 17 -11.955 -11.600 -7.435
170 1HD ARG 17 2HD ARG 17 -9.971 -9.952 -5.881
171 2HD ARG 17 1HD ARG 17 -10.142 -11.706 -5.895
172 HE ARG 17 HE ARG 17 -8.667 -10.123 -7.741
173 1HH1 ARG 17 1HH1 ARG 17 -10.580 -13.030 -7.478
174 2HH1 ARG 17 2HH1 ARG 17 -9.806 -13.808 -8.819
175 1HH2 ARG 17 1HH2 ARG 17 -7.651 -11.144 -9.504
176 2HH2 ARG 17 2HH2 ARG 17 -8.145 -12.738 -9.969
Start of MODEL 5
1 1H LYS 1 1HT LYS 1 -1.268 1.603 -3.728
2 2H LYS 1 2HT LYS 1 -2.518 0.644 -3.047
3 3H LYS 1 3HT LYS 1 -2.435 2.323 -2.703
4 HA LYS 1 HA LYS 1 -2.898 2.860 -4.938
5 1HB LYS 1 2HB LYS 1 -1.708 0.742 -5.737
6 2HB LYS 1 1HB LYS 1 -3.230 -0.087 -5.452
7 1HG LYS 1 2HG LYS 1 -4.317 1.516 -7.018
8 2HG LYS 1 1HG LYS 1 -2.716 2.165 -7.380
9 1HD LYS 1 2HD LYS 1 -2.102 -0.292 -7.907
10 2HD LYS 1 1HD LYS 1 -3.845 -0.541 -8.001
11 1HE LYS 1 2HE LYS 1 -3.489 -0.001 -10.172
12 2HE LYS 1 1HE LYS 1 -3.649 1.635 -9.536
13 1HZ LYS 1 1HZ LYS 1 -1.551 0.725 -10.967
14 2HZ LYS 1 2HZ LYS 1 -0.971 0.585 -9.385
15 3HZ LYS 1 3HZ LYS 1 -1.515 2.081 -9.955
16 H TRP 2 H TRP 2 -4.243 2.074 -2.289
17 HA TRP 2 HA TRP 2 -6.884 1.616 -3.443
18 1HB TRP 2 2HB TRP 2 -7.618 0.494 -1.444
19 2HB TRP 2 1HB TRP 2 -6.209 -0.277 -2.137
20 HD1 TRP 2 HD TRP 2 -6.677 -1.194 0.618
21 HE1 TRP 2 1HE TRP 2 -5.222 -0.535 2.633
22 HE3 TRP 2 3HE TRP 2 -4.651 3.165 -1.153
23 HZ2 TRP 2 2HZ TRP 2 -3.475 1.493 3.381
24 HZ3 TRP 2 3HZ TRP 2 -3.115 4.370 0.290
25 HH2 TRP 2 HH TRP 2 -2.524 3.576 2.506
26 H TYR 3 H TYR 3 -5.575 4.266 -2.748
27 HA TYR 3 HA TYR 3 -7.043 6.152 -2.631
28 1HB TYR 3 2HB TYR 3 -8.624 6.365 -0.897
29 2HB TYR 3 1HB TYR 3 -8.734 4.760 -1.594
30 HD1 TYR 3 1HD TYR 3 -6.065 4.042 0.050
31 HD2 TYR 3 2HD TYR 3 -9.952 5.409 1.044
32 HE1 TYR 3 1HE TYR 3 -5.858 2.947 2.215
33 HE2 TYR 3 2HE TYR 3 -9.763 4.340 3.251
34 HH TYR 3 HH TYR 3 -7.898 2.034 4.020
35 H PHE 4 H PHE 4 -7.324 7.291 0.080
36 HA PHE 4 HA PHE 4 -5.764 9.200 0.328
37 1HB PHE 4 2HB PHE 4 -5.687 9.274 2.628
38 2HB PHE 4 1HB PHE 4 -7.141 8.369 2.229
39 HD1 PHE 4 1HD PHE 4 -5.673 8.530 4.882
40 HD2 PHE 4 2HD PHE 4 -5.457 5.736 1.681
41 HE1 PHE 4 1HE PHE 4 -4.962 6.787 6.461
42 HE2 PHE 4 2HE PHE 4 -4.753 3.972 3.270
43 HZ PHE 4 HZ PHE 4 -4.502 4.509 5.655
44 H ARG 5 H ARG 5 -3.987 8.950 -1.009
45 HA ARG 5 HA ARG 5 -1.655 9.455 0.012
46 1HB ARG 5 2HB ARG 5 -0.322 7.250 -0.178
47 2HB ARG 5 1HB ARG 5 -1.196 7.600 1.299
48 1HG ARG 5 2HG ARG 5 -1.782 5.440 1.009
49 2HG ARG 5 1HG ARG 5 -3.073 6.205 0.091
50 1HD ARG 5 2HD ARG 5 -0.807 5.797 -1.607
51 2HD ARG 5 1HD ARG 5 -1.224 4.283 -0.803
52 HE ARG 5 HE ARG 5 -3.601 5.310 -1.703
53 1HH1 ARG 5 1HH1 ARG 5 -0.621 4.215 -3.117
54 2HH1 ARG 5 2HH1 ARG 5 -1.300 3.998 -4.695
55 1HH2 ARG 5 1HH2 ARG 5 -4.495 5.082 -3.780
56 2HH2 ARG 5 2HH2 ARG 5 -3.508 4.500 -5.073
57 H VAL 6 H VAL 6 -2.774 7.009 -2.279
58 HA VAL 6 HA VAL 6 -1.962 6.441 -4.359
59 HB VAL 6 HB VAL 6 -3.621 7.708 -5.226
60 1HG1 VAL 6 1HG1 VAL 6 -3.562 10.289 -5.032
61 2HG1 VAL 6 2HG1 VAL 6 -2.421 9.981 -3.722
62 3HG1 VAL 6 3HG1 VAL 6 -4.054 9.306 -3.648
63 1HG2 VAL 6 1HG2 VAL 6 -1.326 7.880 -6.553
64 2HG2 VAL 6 2HG2 VAL 6 -1.609 9.603 -6.286
65 3HG2 VAL 6 3HG2 VAL 6 -2.816 8.633 -7.131
66 H TYR 7 H TYR 7 0.123 6.196 -3.295
67 HA TYR 7 HA TYR 7 2.194 7.587 -4.794
68 1HB TYR 7 2HB TYR 7 3.487 8.048 -2.772
69 2HB TYR 7 1HB TYR 7 1.915 8.831 -2.677
70 HD1 TYR 7 1HD TYR 7 3.136 8.760 -0.209
71 HD2 TYR 7 2HD TYR 7 1.147 5.511 -2.103
72 HE1 TYR 7 1HE TYR 7 2.747 7.712 1.980
73 HE2 TYR 7 2HE TYR 7 0.747 4.455 0.069
74 HH TYR 7 HH TYR 7 0.769 5.868 2.818
75 H TYR 8 H TYR 8 0.853 4.786 -4.133
76 HA TYR 8 HA TYR 8 3.224 3.216 -4.512
77 1HB TYR 8 2HB TYR 8 3.523 3.607 -2.213
78 2HB TYR 8 1HB TYR 8 1.803 3.468 -1.894
79 HD1 TYR 8 1HD TYR 8 0.917 1.455 -1.108
80 HD2 TYR 8 2HD TYR 8 4.787 1.460 -2.868
81 HE1 TYR 8 1HE TYR 8 1.265 -0.831 -0.351
82 HE2 TYR 8 2HE TYR 8 5.136 -0.837 -2.121
83 HH TYR 8 HH TYR 8 3.985 -2.226 0.078
84 H ARG 9 H ARG 9 2.499 0.732 -4.088
85 HA ARG 9 HA ARG 9 -0.291 0.306 -4.726
86 1HB ARG 9 2HB ARG 9 0.295 -1.010 -6.762
87 2HB ARG 9 1HB ARG 9 0.657 0.709 -6.911
88 1HG ARG 9 2HG ARG 9 2.808 0.298 -7.271
89 2HG ARG 9 1HG ARG 9 2.919 -0.695 -5.808
90 1HD ARG 9 2HD ARG 9 2.798 -2.608 -6.971
91 2HD ARG 9 1HD ARG 9 1.519 -2.003 -8.023
92 HE ARG 9 HE ARG 9 3.706 -0.703 -8.922
93 1HH1 ARG 9 1HH1 ARG 9 3.033 -4.073 -8.309
94 2HH1 ARG 9 2HH1 ARG 9 4.108 -4.640 -9.543
95 1HH2 ARG 9 1HH2 ARG 9 5.121 -1.448 -10.542
96 2HH2 ARG 9 2HH2 ARG 9 5.294 -3.151 -10.810
97 H GLY 10 H GLY 10 2.790 -0.956 -3.804
98 1HA GLY 10 2HA GLY 10 2.372 -3.662 -3.836
99 2HA GLY 10 1HA GLY 10 3.356 -2.831 -2.651
100 H ILE 11 H ILE 11 0.356 -1.559 -2.111
101 HA ILE 11 HA ILE 11 -0.062 -2.700 0.341
102 HB ILE 11 HB ILE 11 -2.248 -1.770 -1.532
103 1HG1 ILE 11 2HG1 ILE 11 -0.985 -0.239 0.738
104 2HG1 ILE 11 1HG1 ILE 11 -0.401 -0.120 -0.919
105 1HG2 ILE 11 1HG2 ILE 11 -3.592 -1.455 0.487
106 2HG2 ILE 11 2HG2 ILE 11 -2.293 -2.153 1.455
107 3HG2 ILE 11 3HG2 ILE 11 -3.137 -3.145 0.265
108 1HD1 ILE 11 1HD1 ILE 11 -1.825 1.573 -1.108
109 2HD1 ILE 11 2HD1 ILE 11 -2.698 1.114 0.350
110 3HD1 ILE 11 3HD1 ILE 11 -3.096 0.341 -1.191
111 H TYR 12 H TYR 12 -1.670 -3.693 -2.685
112 HA TYR 12 HA TYR 12 -2.508 -5.706 -3.350
113 1HB TYR 12 2HB TYR 12 -0.202 -6.350 -1.963
114 2HB TYR 12 1HB TYR 12 -1.425 -7.348 -1.185
115 HD1 TYR 12 1HD TYR 12 -1.602 -9.483 -2.014
116 HD2 TYR 12 2HD TYR 12 -0.528 -6.348 -4.681
117 HE1 TYR 12 1HE TYR 12 -1.441 -11.110 -3.852
118 HE2 TYR 12 2HE TYR 12 -0.368 -7.965 -6.528
119 HH TYR 12 HH TYR 12 -0.409 -11.356 -6.009
120 H TYR 13 H TYR 13 -3.853 -4.003 -1.414
121 HA TYR 13 HA TYR 13 -5.023 -5.464 0.645
122 1HB TYR 13 2HB TYR 13 -6.211 -3.588 1.085
123 2HB TYR 13 1HB TYR 13 -5.090 -2.873 -0.064
124 HD1 TYR 13 1HD TYR 13 -5.825 -2.247 -2.291
125 HD2 TYR 13 2HD TYR 13 -8.534 -3.962 0.504
126 HE1 TYR 13 1HE TYR 13 -7.718 -1.517 -3.683
127 HE2 TYR 13 2HE TYR 13 -10.435 -3.235 -0.877
128 HH TYR 13 HH TYR 13 -10.032 -2.030 -4.067
129 H ARG 14 H ARG 14 -6.133 -4.912 -2.681
130 HA ARG 14 HA ARG 14 -8.060 -7.113 -2.309
131 1HB ARG 14 2HB ARG 14 -9.492 -6.085 -3.970
132 2HB ARG 14 1HB ARG 14 -9.156 -4.933 -2.686
133 1HG ARG 14 2HG ARG 14 -8.841 -3.575 -4.468
134 2HG ARG 14 1HG ARG 14 -7.209 -4.230 -4.346
135 1HD ARG 14 2HD ARG 14 -8.305 -6.090 -5.926
136 2HD ARG 14 1HD ARG 14 -9.315 -4.716 -6.369
137 HE ARG 14 HE ARG 14 -6.719 -3.804 -6.474
138 1HH1 ARG 14 1HH1 ARG 14 -8.576 -6.312 -8.034
139 2HH1 ARG 14 2HH1 ARG 14 -7.658 -6.254 -9.501
140 1HH2 ARG 14 1HH2 ARG 14 -5.510 -3.725 -8.403
141 2HH2 ARG 14 2HH2 ARG 14 -5.916 -4.785 -9.711
142 H ARG 15 H ARG 15 -5.373 -5.942 -4.098
143 HA ARG 15 HA ARG 15 -5.557 -7.050 -6.574
144 1HB ARG 15 2HB ARG 15 -3.250 -6.766 -4.687
145 2HB ARG 15 1HB ARG 15 -3.019 -7.577 -6.228
146 1HG ARG 15 2HG ARG 15 -2.677 -5.587 -7.135
147 2HG ARG 15 1HG ARG 15 -4.382 -5.230 -6.854
148 1HD ARG 15 2HD ARG 15 -3.403 -3.461 -5.784
149 2HD ARG 15 1HD ARG 15 -3.516 -4.610 -4.453
150 HE ARG 15 HE ARG 15 -1.245 -4.554 -4.343
151 1HH1 ARG 15 1HH1 ARG 15 -2.187 -3.719 -7.598
152 2HH1 ARG 15 2HH1 ARG 15 -0.560 -3.454 -8.134
153 1HH2 ARG 15 1HH2 ARG 15 0.894 -4.208 -5.046
154 2HH2 ARG 15 2HH2 ARG 15 1.187 -3.732 -6.685
155 H TYR 16 H TYR 16 -3.742 -8.821 -4.079
156 HA TYR 16 HA TYR 16 -3.634 -11.032 -3.547
157 1HB TYR 16 2HB TYR 16 -6.373 -10.614 -4.276
158 2HB TYR 16 1HB TYR 16 -5.861 -12.188 -4.876
159 HD1 TYR 16 1HD TYR 16 -5.707 -14.021 -3.425
160 HD2 TYR 16 2HD TYR 16 -5.986 -10.097 -1.806
161 HE1 TYR 16 1HE TYR 16 -5.994 -14.975 -1.177
162 HE2 TYR 16 2HE TYR 16 -6.272 -11.041 0.447
163 HH TYR 16 HH TYR 16 -7.181 -13.370 1.365
164 H ARG 17 H ARG 17 -5.169 -11.052 -6.770
165 HA ARG 17 HA ARG 17 -3.672 -13.205 -7.756
166 1HB ARG 17 2HB ARG 17 -5.193 -10.987 -9.109
167 2HB ARG 17 1HB ARG 17 -4.351 -12.223 -10.034
168 1HG ARG 17 2HG ARG 17 -6.300 -13.313 -9.929
169 2HG ARG 17 1HG ARG 17 -5.771 -13.751 -8.303
170 1HD ARG 17 2HD ARG 17 -6.902 -11.274 -7.930
171 2HD ARG 17 1HD ARG 17 -7.934 -11.992 -9.165
172 HE ARG 17 HE ARG 17 -7.900 -12.653 -6.426
173 1HH1 ARG 17 1HH1 ARG 17 -8.130 -14.151 -9.569
174 2HH1 ARG 17 2HH1 ARG 17 -9.041 -15.507 -8.995
175 1HH2 ARG 17 1HH2 ARG 17 -9.098 -14.436 -5.668
176 2HH2 ARG 17 2HH2 ARG 17 -9.591 -15.668 -6.779
Start of MODEL 6
1 1H LYS 1 1HT LYS 1 -4.091 5.265 -5.357
2 2H LYS 1 2HT LYS 1 -4.979 5.011 -6.803
3 3H LYS 1 3HT LYS 1 -3.264 5.048 -6.841
4 HA LYS 1 HA LYS 1 -4.375 2.828 -6.953
5 1HB LYS 1 2HB LYS 1 -2.181 3.697 -5.106
6 2HB LYS 1 1HB LYS 1 -2.649 2.003 -5.144
7 1HG LYS 1 2HG LYS 1 -1.001 1.971 -6.701
8 2HG LYS 1 1HG LYS 1 -2.369 2.350 -7.746
9 1HD LYS 1 2HD LYS 1 -1.742 4.564 -7.983
10 2HD LYS 1 1HD LYS 1 -0.808 4.564 -6.484
11 1HE LYS 1 2HE LYS 1 0.962 3.353 -7.480
12 2HE LYS 1 1HE LYS 1 -0.013 2.946 -8.890
13 1HZ LYS 1 1HZ LYS 1 0.338 4.955 -9.826
14 2HZ LYS 1 2HZ LYS 1 1.741 4.918 -8.884
15 3HZ LYS 1 3HZ LYS 1 0.388 5.780 -8.350
16 H TRP 2 H TRP 2 -3.667 3.498 -3.537
17 HA TRP 2 HA TRP 2 -5.706 1.785 -2.620
18 1HB TRP 2 2HB TRP 2 -3.464 2.578 -1.572
19 2HB TRP 2 1HB TRP 2 -4.427 3.892 -0.931
20 HD1 TRP 2 HD TRP 2 -2.953 1.385 0.560
21 HE1 TRP 2 1HE TRP 2 -4.240 0.174 2.367
22 HE3 TRP 2 3HE TRP 2 -7.654 2.620 -0.932
23 HZ2 TRP 2 2HZ TRP 2 -6.961 -0.278 3.059
24 HZ3 TRP 2 3HZ TRP 2 -9.549 1.748 0.336
25 HH2 TRP 2 HH TRP 2 -9.219 0.319 2.293
26 H TYR 3 H TYR 3 -5.673 4.770 -0.942
27 HA TYR 3 HA TYR 3 -8.076 5.780 -2.182
28 1HB TYR 3 2HB TYR 3 -9.326 5.808 -0.100
29 2HB TYR 3 1HB TYR 3 -8.844 4.173 -0.519
30 HD1 TYR 3 1HD TYR 3 -9.530 5.860 2.215
31 HD2 TYR 3 2HD TYR 3 -6.114 4.001 0.504
32 HE1 TYR 3 1HE TYR 3 -8.588 5.518 4.462
33 HE2 TYR 3 2HE TYR 3 -5.157 3.651 2.725
34 HH TYR 3 HH TYR 3 -6.403 3.453 5.248
35 H PHE 4 H PHE 4 -5.531 6.213 0.251
36 HA PHE 4 HA PHE 4 -5.825 9.104 -0.166
37 1HB PHE 4 2HB PHE 4 -5.278 9.608 2.084
38 2HB PHE 4 1HB PHE 4 -6.561 8.413 2.120
39 HD1 PHE 4 1HD PHE 4 -4.371 9.332 4.200
40 HD2 PHE 4 2HD PHE 4 -4.831 5.952 1.668
41 HE1 PHE 4 1HE PHE 4 -3.058 7.976 5.778
42 HE2 PHE 4 2HE PHE 4 -3.523 4.579 3.236
43 HZ PHE 4 HZ PHE 4 -2.632 5.598 5.298
44 H ARG 5 H ARG 5 -3.602 6.417 0.225
45 HA ARG 5 HA ARG 5 -1.259 8.076 0.145
46 1HB ARG 5 2HB ARG 5 -1.406 5.142 -0.554
47 2HB ARG 5 1HB ARG 5 0.005 6.046 -0.020
48 1HG ARG 5 2HG ARG 5 -2.427 5.450 1.631
49 2HG ARG 5 1HG ARG 5 -0.876 4.626 1.746
50 1HD ARG 5 2HD ARG 5 -0.989 6.248 3.504
51 2HD ARG 5 1HD ARG 5 0.181 6.802 2.311
52 HE ARG 5 HE ARG 5 -2.251 7.975 1.653
53 1HH1 ARG 5 1HH1 ARG 5 0.000 8.022 4.320
54 2HH1 ARG 5 2HH1 ARG 5 -0.395 9.641 4.785
55 1HH2 ARG 5 1HH2 ARG 5 -2.771 10.099 2.260
56 2HH2 ARG 5 2HH2 ARG 5 -1.970 10.823 3.615
57 H VAL 6 H VAL 6 -2.639 5.756 -2.138
58 HA VAL 6 HA VAL 6 -2.334 5.540 -4.398
59 HB VAL 6 HB VAL 6 -4.210 6.974 -4.348
60 1HG1 VAL 6 1HG1 VAL 6 -4.030 9.426 -4.188
61 2HG1 VAL 6 2HG1 VAL 6 -2.290 9.270 -3.948
62 3HG1 VAL 6 3HG1 VAL 6 -3.406 8.616 -2.742
63 1HG2 VAL 6 1HG2 VAL 6 -2.697 8.597 -6.269
64 2HG2 VAL 6 2HG2 VAL 6 -4.109 7.566 -6.513
65 3HG2 VAL 6 3HG2 VAL 6 -2.491 6.851 -6.448
66 H TYR 7 H TYR 7 0.128 6.235 -2.985
67 HA TYR 7 HA TYR 7 1.581 7.320 -5.282
68 1HB TYR 7 2HB TYR 7 2.883 8.794 -4.007
69 2HB TYR 7 1HB TYR 7 1.274 9.013 -3.333
70 HD1 TYR 7 1HD TYR 7 4.559 8.843 -2.446
71 HD2 TYR 7 2HD TYR 7 0.835 7.098 -1.370
72 HE1 TYR 7 1HE TYR 7 5.451 8.335 -0.211
73 HE2 TYR 7 2HE TYR 7 1.714 6.582 0.869
74 HH TYR 7 HH TYR 7 3.466 7.333 2.378
75 H TYR 8 H TYR 8 1.010 4.657 -4.486
76 HA TYR 8 HA TYR 8 3.707 3.650 -4.414
77 1HB TYR 8 2HB TYR 8 3.816 3.661 -2.147
78 2HB TYR 8 1HB TYR 8 2.074 3.720 -1.959
79 HD1 TYR 8 1HD TYR 8 2.086 2.179 -0.091
80 HD2 TYR 8 2HD TYR 8 3.670 0.940 -3.848
81 HE1 TYR 8 1HE TYR 8 2.135 -0.131 0.680
82 HE2 TYR 8 2HE TYR 8 3.652 -1.359 -3.112
83 HH TYR 8 HH TYR 8 3.794 -2.600 -0.992
84 H ARG 9 H ARG 9 0.783 2.133 -3.192
85 HA ARG 9 HA ARG 9 -0.633 0.693 -4.536
86 1HB ARG 9 2HB ARG 9 0.867 0.867 -6.548
87 2HB ARG 9 1HB ARG 9 1.999 -0.201 -5.738
88 1HG ARG 9 2HG ARG 9 0.550 -1.228 -7.507
89 2HG ARG 9 1HG ARG 9 0.570 -2.045 -5.949
90 1HD ARG 9 2HD ARG 9 -1.687 -2.029 -6.509
91 2HD ARG 9 1HD ARG 9 -1.544 -0.629 -5.451
92 HE ARG 9 HE ARG 9 -1.173 0.440 -7.896
93 1HH1 ARG 9 1HH1 ARG 9 -3.634 -1.674 -6.604
94 2HH1 ARG 9 2HH1 ARG 9 -4.874 -1.078 -7.656
95 1HH2 ARG 9 1HH2 ARG 9 -2.804 1.225 -9.281
96 2HH2 ARG 9 2HH2 ARG 9 -4.404 0.569 -9.174
97 H GLY 10 H GLY 10 0.502 -2.051 -4.649
98 1HA GLY 10 2HA GLY 10 0.480 -3.763 -3.099
99 2HA GLY 10 1HA GLY 10 2.023 -3.000 -2.778
100 H ILE 11 H ILE 11 -0.467 -0.925 -1.675
101 HA ILE 11 HA ILE 11 0.328 -1.315 1.003
102 HB ILE 11 HB ILE 11 -2.113 0.106 -0.057
103 1HG1 ILE 11 2HG1 ILE 11 0.479 1.250 0.900
104 2HG1 ILE 11 1HG1 ILE 11 0.032 1.050 -0.791
105 1HG2 ILE 11 1HG2 ILE 11 -1.985 1.316 2.171
106 2HG2 ILE 11 2HG2 ILE 11 -0.891 0.041 2.697
107 3HG2 ILE 11 3HG2 ILE 11 -2.547 -0.352 2.239
108 1HD1 ILE 11 1HD1 ILE 11 -1.560 2.639 1.184
109 2HD1 ILE 11 2HD1 ILE 11 -1.773 2.577 -0.571
110 3HD1 ILE 11 3HD1 ILE 11 -0.328 3.333 0.121
111 H TYR 12 H TYR 12 -1.294 -1.710 2.785
112 HA TYR 12 HA TYR 12 -2.136 -4.302 2.846
113 1HB TYR 12 2HB TYR 12 -2.286 -2.091 4.569
114 2HB TYR 12 1HB TYR 12 -3.933 -2.699 4.440
115 HD1 TYR 12 1HD TYR 12 -0.572 -3.363 5.668
116 HD2 TYR 12 2HD TYR 12 -4.471 -4.989 5.169
117 HE1 TYR 12 1HE TYR 12 -0.023 -5.149 7.264
118 HE2 TYR 12 2HE TYR 12 -3.934 -6.780 6.766
119 HH TYR 12 HH TYR 12 -1.087 -6.723 8.705
120 H TYR 13 H TYR 13 -3.729 -1.617 1.321
121 HA TYR 13 HA TYR 13 -6.372 -2.228 1.245
122 1HB TYR 13 2HB TYR 13 -6.516 -0.934 -0.656
123 2HB TYR 13 1HB TYR 13 -4.895 -0.501 -0.151
124 HD1 TYR 13 1HD TYR 13 -6.849 -2.455 -2.568
125 HD2 TYR 13 2HD TYR 13 -2.967 -1.135 -1.430
126 HE1 TYR 13 1HE TYR 13 -5.972 -3.172 -4.750
127 HE2 TYR 13 2HE TYR 13 -2.079 -1.850 -3.610
128 HH TYR 13 HH TYR 13 -2.629 -3.385 -5.412
129 H ARG 14 H ARG 14 -3.829 -3.648 -0.704
130 HA ARG 14 HA ARG 14 -5.601 -5.593 -1.904
131 1HB ARG 14 2HB ARG 14 -3.424 -4.538 -2.881
132 2HB ARG 14 1HB ARG 14 -2.613 -5.813 -1.981
133 1HG ARG 14 2HG ARG 14 -3.051 -6.368 -4.358
134 2HG ARG 14 1HG ARG 14 -3.762 -7.508 -3.214
135 1HD ARG 14 2HD ARG 14 -5.930 -6.661 -3.554
136 2HD ARG 14 1HD ARG 14 -5.326 -5.205 -4.345
137 HE ARG 14 HE ARG 14 -4.595 -7.535 -5.792
138 1HH1 ARG 14 1HH1 ARG 14 -7.295 -5.423 -5.134
139 2HH1 ARG 14 2HH1 ARG 14 -8.090 -5.766 -6.635
140 1HH2 ARG 14 1HH2 ARG 14 -5.640 -7.988 -7.764
141 2HH2 ARG 14 2HH2 ARG 14 -7.150 -7.221 -8.126
142 H ARG 15 H ARG 15 -3.441 -5.503 0.824
143 HA ARG 15 HA ARG 15 -2.997 -8.226 1.228
144 1HB ARG 15 2HB ARG 15 -3.091 -5.841 3.028
145 2HB ARG 15 1HB ARG 15 -2.965 -7.440 3.737
146 1HG ARG 15 2HG ARG 15 -0.800 -6.233 3.396
147 2HG ARG 15 1HG ARG 15 -0.883 -7.848 2.693
148 1HD ARG 15 2HD ARG 15 -1.514 -6.717 0.516
149 2HD ARG 15 1HD ARG 15 -1.067 -5.194 1.285
150 HE ARG 15 HE ARG 15 0.698 -7.144 0.215
151 1HH1 ARG 15 1HH1 ARG 15 0.391 -4.806 2.791
152 2HH1 ARG 15 2HH1 ARG 15 2.100 -4.596 2.971
153 1HH2 ARG 15 1HH2 ARG 15 2.947 -6.864 0.449
154 2HH2 ARG 15 2HH2 ARG 15 3.551 -5.762 1.642
155 H TYR 16 H TYR 16 -5.796 -6.249 1.949
156 HA TYR 16 HA TYR 16 -7.164 -7.685 3.813
157 1HB TYR 16 2HB TYR 16 -8.169 -6.243 1.369
158 2HB TYR 16 1HB TYR 16 -9.267 -6.966 2.538
159 HD1 TYR 16 1HD TYR 16 -7.917 -6.363 5.084
160 HD2 TYR 16 2HD TYR 16 -8.443 -3.942 1.625
161 HE1 TYR 16 1HE TYR 16 -7.764 -4.345 6.480
162 HE2 TYR 16 2HE TYR 16 -8.289 -1.916 3.013
163 HH TYR 16 HH TYR 16 -7.151 -1.378 5.364
164 H ARG 17 H ARG 17 -8.699 -9.348 3.810
165 HA ARG 17 HA ARG 17 -8.029 -11.633 2.348
166 1HB ARG 17 2HB ARG 17 -10.749 -11.210 3.568
167 2HB ARG 17 1HB ARG 17 -9.839 -12.706 3.419
168 1HG ARG 17 2HG ARG 17 -9.291 -10.410 5.285
169 2HG ARG 17 1HG ARG 17 -9.812 -12.041 5.704
170 1HD ARG 17 2HD ARG 17 -7.709 -12.750 5.778
171 2HD ARG 17 1HD ARG 17 -7.407 -12.159 4.144
172 HE ARG 17 HE ARG 17 -6.227 -10.458 5.081
173 1HH1 ARG 17 1HH1 ARG 17 -8.563 -11.559 7.428
174 2HH1 ARG 17 2HH1 ARG 17 -8.018 -10.475 8.664
175 1HH2 ARG 17 1HH2 ARG 17 -5.509 -9.032 6.705
176 2HH2 ARG 17 2HH2 ARG 17 -6.284 -9.040 8.254
Start of MODEL 7
1 1H LYS 1 1HT LYS 1 -3.280 0.292 -5.476
2 2H LYS 1 2HT LYS 1 -2.139 1.162 -6.415
3 3H LYS 1 3HT LYS 1 -3.786 1.110 -6.894
4 HA LYS 1 HA LYS 1 -2.501 2.622 -4.761
5 1HB LYS 1 2HB LYS 1 -4.824 3.281 -6.577
6 2HB LYS 1 1HB LYS 1 -3.776 4.406 -5.732
7 1HG LYS 1 2HG LYS 1 -2.471 2.612 -7.684
8 2HG LYS 1 1HG LYS 1 -3.552 3.841 -8.337
9 1HD LYS 1 2HD LYS 1 -1.203 4.329 -6.507
10 2HD LYS 1 1HD LYS 1 -1.253 4.654 -8.239
11 1HE LYS 1 2HE LYS 1 -3.291 6.132 -7.674
12 2HE LYS 1 1HE LYS 1 -2.700 6.050 -6.015
13 1HZ LYS 1 1HZ LYS 1 -1.928 7.900 -7.754
14 2HZ LYS 1 2HZ LYS 1 -0.731 6.740 -8.037
15 3HZ LYS 1 3HZ LYS 1 -0.949 7.364 -6.482
16 H TRP 2 H TRP 2 -3.375 2.472 -2.652
17 HA TRP 2 HA TRP 2 -5.908 1.179 -2.499
18 1HB TRP 2 2HB TRP 2 -5.672 0.944 -0.193
19 2HB TRP 2 1HB TRP 2 -4.124 0.614 -0.915
20 HD1 TRP 2 HD TRP 2 -3.760 0.772 1.864
21 HE1 TRP 2 1HE TRP 2 -2.846 2.743 3.235
22 HE3 TRP 2 3HE TRP 2 -4.510 4.608 -1.486
23 HZ2 TRP 2 2HZ TRP 2 -2.500 5.480 2.983
24 HZ3 TRP 2 3HZ TRP 2 -3.878 6.850 -0.796
25 HH2 TRP 2 HH TRP 2 -2.882 7.290 1.385
26 H TYR 3 H TYR 3 -5.594 3.871 -0.273
27 HA TYR 3 HA TYR 3 -7.925 4.943 -1.594
28 1HB TYR 3 2HB TYR 3 -7.999 6.336 0.682
29 2HB TYR 3 1HB TYR 3 -8.673 4.728 0.518
30 HD1 TYR 3 1HD TYR 3 -6.580 6.760 2.488
31 HD2 TYR 3 2HD TYR 3 -6.985 2.772 1.049
32 HE1 TYR 3 1HE TYR 3 -5.227 5.940 4.367
33 HE2 TYR 3 2HE TYR 3 -5.583 1.963 2.894
34 HH TYR 3 HH TYR 3 -4.264 2.557 4.614
35 H PHE 4 H PHE 4 -6.879 7.400 0.356
36 HA PHE 4 HA PHE 4 -6.677 9.192 -1.730
37 1HB PHE 4 2HB PHE 4 -6.068 10.863 -0.028
38 2HB PHE 4 1HB PHE 4 -7.466 9.889 0.391
39 HD1 PHE 4 1HD PHE 4 -5.219 7.553 1.119
40 HD2 PHE 4 2HD PHE 4 -6.163 11.503 2.390
41 HE1 PHE 4 1HE PHE 4 -4.193 7.083 3.300
42 HE2 PHE 4 2HE PHE 4 -5.144 11.040 4.578
43 HZ PHE 4 HZ PHE 4 -4.160 8.832 5.039
44 H ARG 5 H ARG 5 -3.877 8.750 0.473
45 HA ARG 5 HA ARG 5 -2.145 10.167 -1.245
46 1HB ARG 5 2HB ARG 5 -0.979 8.284 0.741
47 2HB ARG 5 1HB ARG 5 -0.568 9.959 0.406
48 1HG ARG 5 2HG ARG 5 -3.105 9.156 1.822
49 2HG ARG 5 1HG ARG 5 -1.590 9.483 2.663
50 1HD ARG 5 2HD ARG 5 -3.164 11.426 2.551
51 2HD ARG 5 1HD ARG 5 -1.554 11.738 1.907
52 HE ARG 5 HE ARG 5 -3.539 10.951 -0.054
53 1HH1 ARG 5 1HH1 ARG 5 -1.967 13.602 1.592
54 2HH1 ARG 5 2HH1 ARG 5 -2.347 14.753 0.356
55 1HH2 ARG 5 1HH2 ARG 5 -4.038 12.466 -1.674
56 2HH2 ARG 5 2HH2 ARG 5 -3.523 14.109 -1.496
57 H VAL 6 H VAL 6 -1.812 6.868 -0.161
58 HA VAL 6 HA VAL 6 -1.174 4.968 -1.088
59 HB VAL 6 HB VAL 6 -2.872 4.629 -2.485
60 1HG1 VAL 6 1HG1 VAL 6 -2.628 7.131 -4.086
61 2HG1 VAL 6 2HG1 VAL 6 -3.388 7.140 -2.493
62 3HG1 VAL 6 3HG1 VAL 6 -4.039 6.125 -3.773
63 1HG2 VAL 6 1HG2 VAL 6 -0.847 5.476 -4.544
64 2HG2 VAL 6 2HG2 VAL 6 -2.271 4.496 -4.853
65 3HG2 VAL 6 3HG2 VAL 6 -0.995 3.880 -3.812
66 H TYR 7 H TYR 7 -0.223 7.451 -3.487
67 HA TYR 7 HA TYR 7 1.729 7.628 -4.736
68 1HB TYR 7 2HB TYR 7 3.707 7.958 -3.165
69 2HB TYR 7 1HB TYR 7 2.290 8.957 -2.831
70 HD1 TYR 7 1HD TYR 7 0.592 7.920 -1.140
71 HD2 TYR 7 2HD TYR 7 4.676 6.791 -1.392
72 HE1 TYR 7 1HE TYR 7 0.445 6.973 1.099
73 HE2 TYR 7 2HE TYR 7 4.561 5.863 0.885
74 HH TYR 7 HH TYR 7 1.877 6.407 2.961
75 H TYR 8 H TYR 8 0.845 4.835 -4.220
76 HA TYR 8 HA TYR 8 3.172 3.442 -5.161
77 1HB TYR 8 2HB TYR 8 3.821 3.264 -2.953
78 2HB TYR 8 1HB TYR 8 2.161 3.309 -2.371
79 HD1 TYR 8 1HD TYR 8 0.807 1.317 -2.340
80 HD2 TYR 8 2HD TYR 8 4.856 1.200 -3.592
81 HE1 TYR 8 1HE TYR 8 0.783 -1.099 -2.144
82 HE2 TYR 8 2HE TYR 8 4.861 -1.258 -3.377
83 HH TYR 8 HH TYR 8 2.578 -2.954 -1.723
84 H ARG 9 H ARG 9 2.415 0.860 -5.075
85 HA ARG 9 HA ARG 9 -0.241 0.910 -6.276
86 1HB ARG 9 2HB ARG 9 0.371 -1.101 -7.466
87 2HB ARG 9 1HB ARG 9 1.604 0.131 -7.694
88 1HG ARG 9 2HG ARG 9 2.754 -1.071 -5.675
89 2HG ARG 9 1HG ARG 9 1.730 -2.421 -6.169
90 1HD ARG 9 2HD ARG 9 3.427 -0.948 -8.149
91 2HD ARG 9 1HD ARG 9 4.098 -2.245 -7.164
92 HE ARG 9 HE ARG 9 2.170 -2.496 -9.318
93 1HH1 ARG 9 1HH1 ARG 9 3.776 -4.045 -6.632
94 2HH1 ARG 9 2HH1 ARG 9 3.468 -5.646 -7.212
95 1HH2 ARG 9 1HH2 ARG 9 1.762 -4.601 -10.078
96 2HH2 ARG 9 2HH2 ARG 9 2.325 -5.963 -9.167
97 H GLY 10 H GLY 10 -1.628 0.687 -4.615
98 1HA GLY 10 2HA GLY 10 -2.881 -0.354 -3.005
99 2HA GLY 10 1HA GLY 10 -2.484 -1.816 -3.889
100 H ILE 11 H ILE 11 -1.555 0.268 -1.233
101 HA ILE 11 HA ILE 11 0.614 -1.205 -0.250
102 HB ILE 11 HB ILE 11 -1.360 0.263 1.482
103 1HG1 ILE 11 2HG1 ILE 11 0.596 2.089 1.043
104 2HG1 ILE 11 1HG1 ILE 11 0.545 1.296 -0.524
105 1HG2 ILE 11 1HG2 ILE 11 0.223 0.252 3.101
106 2HG2 ILE 11 2HG2 ILE 11 1.556 0.349 1.951
107 3HG2 ILE 11 3HG2 ILE 11 0.753 -1.193 2.240
108 1HD1 ILE 11 1HD1 ILE 11 -1.522 2.081 -1.012
109 2HD1 ILE 11 2HD1 ILE 11 -0.970 3.382 0.059
110 3HD1 ILE 11 3HD1 ILE 11 -2.024 2.109 0.679
111 H TYR 12 H TYR 12 -2.856 -1.525 0.249
112 HA TYR 12 HA TYR 12 -4.132 -3.144 1.208
113 1HB TYR 12 2HB TYR 12 -2.784 -4.479 -0.507
114 2HB TYR 12 1HB TYR 12 -1.778 -4.995 0.842
115 HD1 TYR 12 1HD TYR 12 -5.473 -4.536 0.701
116 HD2 TYR 12 2HD TYR 12 -2.233 -7.267 1.084
117 HE1 TYR 12 1HE TYR 12 -7.064 -6.347 1.185
118 HE2 TYR 12 2HE TYR 12 -3.815 -9.085 1.570
119 HH TYR 12 HH TYR 12 -6.181 -9.621 1.174
120 H TYR 13 H TYR 13 -2.199 -1.544 2.845
121 HA TYR 13 HA TYR 13 -1.721 -3.395 5.044
122 1HB TYR 13 2HB TYR 13 0.074 -2.167 5.608
123 2HB TYR 13 1HB TYR 13 -0.094 -1.478 4.004
124 HD1 TYR 13 1HD TYR 13 0.695 -0.564 7.126
125 HD2 TYR 13 2HD TYR 13 -2.195 0.444 4.171
126 HE1 TYR 13 1HE TYR 13 0.447 1.663 8.136
127 HE2 TYR 13 2HE TYR 13 -2.451 2.674 5.176
128 HH TYR 13 HH TYR 13 -0.747 4.208 6.711
129 H ARG 14 H ARG 14 -4.238 -1.648 4.091
130 HA ARG 14 HA ARG 14 -5.082 -1.118 6.848
131 1HB ARG 14 2HB ARG 14 -4.435 1.028 5.897
132 2HB ARG 14 1HB ARG 14 -5.455 0.741 4.495
133 1HG ARG 14 2HG ARG 14 -6.487 2.301 6.038
134 2HG ARG 14 1HG ARG 14 -7.438 0.820 5.902
135 1HD ARG 14 2HD ARG 14 -7.440 0.892 8.147
136 2HD ARG 14 1HD ARG 14 -5.825 0.206 7.992
137 HE ARG 14 HE ARG 14 -6.509 2.926 8.743
138 1HH1 ARG 14 1HH1 ARG 14 -4.001 0.685 7.794
139 2HH1 ARG 14 2HH1 ARG 14 -2.721 1.662 8.425
140 1HH2 ARG 14 1HH2 ARG 14 -4.821 4.208 9.569
141 2HH2 ARG 14 2HH2 ARG 14 -3.184 3.660 9.431
142 H ARG 15 H ARG 15 -6.415 -0.930 3.537
143 HA ARG 15 HA ARG 15 -9.030 -1.540 4.119
144 1HB ARG 15 2HB ARG 15 -8.890 -2.760 1.750
145 2HB ARG 15 1HB ARG 15 -8.872 -1.011 1.910
146 1HG ARG 15 2HG ARG 15 -6.487 -0.956 1.645
147 2HG ARG 15 1HG ARG 15 -6.403 -2.719 1.680
148 1HD ARG 15 2HD ARG 15 -8.167 -2.356 -0.326
149 2HD ARG 15 1HD ARG 15 -7.197 -0.895 -0.496
150 HE ARG 15 HE ARG 15 -5.330 -2.830 -0.315
151 1HH1 ARG 15 1HH1 ARG 15 -8.168 -2.464 -2.312
152 2HH1 ARG 15 2HH1 ARG 15 -7.506 -3.361 -3.636
153 1HH2 ARG 15 1HH2 ARG 15 -4.456 -4.012 -2.055
154 2HH2 ARG 15 2HH2 ARG 15 -5.399 -4.240 -3.491
155 H TYR 16 H TYR 16 -6.480 -3.869 3.252
156 HA TYR 16 HA TYR 16 -6.276 -6.100 3.600
157 1HB TYR 16 2HB TYR 16 -7.377 -4.972 6.031
158 2HB TYR 16 1HB TYR 16 -7.893 -6.644 5.820
159 HD1 TYR 16 1HD TYR 16 -4.690 -4.864 5.067
160 HD2 TYR 16 2HD TYR 16 -6.623 -8.016 7.173
161 HE1 TYR 16 1HE TYR 16 -2.510 -5.633 5.905
162 HE2 TYR 16 2HE TYR 16 -4.447 -8.792 8.019
163 HH TYR 16 HH TYR 16 -1.885 -7.179 8.259
164 H ARG 17 H ARG 17 -7.489 -8.207 3.786
165 HA ARG 17 HA ARG 17 -9.034 -9.640 2.934
166 1HB ARG 17 2HB ARG 17 -11.126 -7.524 3.365
167 2HB ARG 17 1HB ARG 17 -11.294 -9.270 3.479
168 1HG ARG 17 2HG ARG 17 -9.852 -7.463 5.405
169 2HG ARG 17 1HG ARG 17 -11.370 -8.318 5.678
170 1HD ARG 17 2HD ARG 17 -9.192 -10.077 4.859
171 2HD ARG 17 1HD ARG 17 -8.860 -9.216 6.360
172 HE ARG 17 HE ARG 17 -10.558 -10.391 7.395
173 1HH1 ARG 17 1HH1 ARG 17 -10.577 -11.050 3.964
174 2HH1 ARG 17 2HH1 ARG 17 -11.664 -12.388 4.105
175 1HH2 ARG 17 1HH2 ARG 17 -11.987 -12.149 7.575
176 2HH2 ARG 17 2HH2 ARG 17 -12.466 -13.012 6.152
Start of MODEL 8
1 1H LYS 1 1HT LYS 1 -6.230 2.589 -7.225
2 2H LYS 1 2HT LYS 1 -4.691 2.142 -7.837
3 3H LYS 1 3HT LYS 1 -4.854 3.543 -6.860
4 HA LYS 1 HA LYS 1 -5.121 0.724 -6.087
5 1HB LYS 1 2HB LYS 1 -3.450 2.810 -4.742
6 2HB LYS 1 1HB LYS 1 -3.187 1.078 -4.852
7 1HG LYS 1 2HG LYS 1 -2.881 3.014 -7.137
8 2HG LYS 1 1HG LYS 1 -1.559 2.384 -6.153
9 1HD LYS 1 2HD LYS 1 -1.599 0.362 -7.163
10 2HD LYS 1 1HD LYS 1 -3.357 0.364 -7.324
11 1HE LYS 1 2HE LYS 1 -2.883 2.247 -9.083
12 2HE LYS 1 1HE LYS 1 -1.278 1.518 -9.127
13 1HZ LYS 1 1HZ LYS 1 -2.041 -0.297 -10.177
14 2HZ LYS 1 2HZ LYS 1 -3.325 0.706 -10.630
15 3HZ LYS 1 3HZ LYS 1 -3.494 -0.341 -9.312
16 H TRP 2 H TRP 2 -4.594 1.651 -3.289
17 HA TRP 2 HA TRP 2 -7.114 1.573 -2.274
18 1HB TRP 2 2HB TRP 2 -5.068 3.173 -0.846
19 2HB TRP 2 1HB TRP 2 -6.315 2.102 -0.196
20 HD1 TRP 2 HD TRP 2 -5.784 -0.482 -0.167
21 HE1 TRP 2 1HE TRP 2 -3.635 -1.773 -0.629
22 HE3 TRP 2 3HE TRP 2 -3.088 3.234 -2.201
23 HZ2 TRP 2 2HZ TRP 2 -1.080 -1.270 -1.781
24 HZ3 TRP 2 3HZ TRP 2 -0.817 2.822 -2.959
25 HH2 TRP 2 HH TRP 2 0.182 0.613 -2.741
26 H TYR 3 H TYR 3 -5.463 4.581 -1.649
27 HA TYR 3 HA TYR 3 -6.815 6.448 -3.020
28 1HB TYR 3 2HB TYR 3 -8.561 6.995 -1.255
29 2HB TYR 3 1HB TYR 3 -8.830 5.638 -2.311
30 HD1 TYR 3 1HD TYR 3 -10.559 5.651 -0.138
31 HD2 TYR 3 2HD TYR 3 -6.516 4.333 -0.156
32 HE1 TYR 3 1HE TYR 3 -11.016 4.192 1.782
33 HE2 TYR 3 2HE TYR 3 -6.944 2.875 1.746
34 HH TYR 3 HH TYR 3 -8.825 2.963 3.736
35 H PHE 4 H PHE 4 -6.544 5.981 0.493
36 HA PHE 4 HA PHE 4 -5.752 8.516 1.181
37 1HB PHE 4 2HB PHE 4 -4.923 7.489 3.269
38 2HB PHE 4 1HB PHE 4 -6.571 7.032 2.852
39 HD1 PHE 4 1HD PHE 4 -5.289 5.534 4.856
40 HD2 PHE 4 2HD PHE 4 -4.908 5.036 0.637
41 HE1 PHE 4 1HE PHE 4 -4.685 3.179 5.183
42 HE2 PHE 4 2HE PHE 4 -4.317 2.646 0.967
43 HZ PHE 4 HZ PHE 4 -4.200 1.741 3.250
44 H ARG 5 H ARG 5 -4.007 8.302 -0.908
45 HA ARG 5 HA ARG 5 -1.643 9.088 0.150
46 1HB ARG 5 2HB ARG 5 -0.225 6.982 -0.303
47 2HB ARG 5 1HB ARG 5 -1.084 7.117 1.217
48 1HG ARG 5 2HG ARG 5 -1.453 4.920 0.527
49 2HG ARG 5 1HG ARG 5 -2.933 5.757 0.069
50 1HD ARG 5 2HD ARG 5 -0.977 5.892 -2.043
51 2HD ARG 5 1HD ARG 5 -1.278 4.224 -1.569
52 HE ARG 5 HE ARG 5 -3.740 5.535 -1.863
53 1HH1 ARG 5 1HH1 ARG 5 -1.066 4.431 -3.806
54 2HH1 ARG 5 2HH1 ARG 5 -2.020 4.222 -5.234
55 1HH2 ARG 5 1HH2 ARG 5 -5.000 5.279 -3.752
56 2HH2 ARG 5 2HH2 ARG 5 -4.253 4.702 -5.202
57 H VAL 6 H VAL 6 -3.021 7.133 -2.411
58 HA VAL 6 HA VAL 6 -2.192 6.669 -4.523
59 HB VAL 6 HB VAL 6 -3.863 8.135 -5.101
60 1HG1 VAL 6 1HG1 VAL 6 -2.195 10.202 -3.754
61 2HG1 VAL 6 2HG1 VAL 6 -3.892 9.777 -3.507
62 3HG1 VAL 6 3HG1 VAL 6 -3.408 10.684 -4.944
63 1HG2 VAL 6 1HG2 VAL 6 -3.105 8.821 -7.109
64 2HG2 VAL 6 2HG2 VAL 6 -1.620 8.003 -6.591
65 3HG2 VAL 6 3HG2 VAL 6 -1.780 9.757 -6.407
66 H TYR 7 H TYR 7 -0.085 6.163 -3.765
67 HA TYR 7 HA TYR 7 1.965 7.412 -5.293
68 1HB TYR 7 2HB TYR 7 3.228 8.433 -3.591
69 2HB TYR 7 1HB TYR 7 1.574 8.881 -3.188
70 HD1 TYR 7 1HD TYR 7 0.918 5.984 -2.125
71 HD2 TYR 7 2HD TYR 7 3.999 8.797 -1.286
72 HE1 TYR 7 1HE TYR 7 1.179 4.993 0.109
73 HE2 TYR 7 2HE TYR 7 4.278 7.820 0.955
74 HH TYR 7 HH TYR 7 2.147 6.029 2.466
75 H TYR 8 H TYR 8 0.677 4.725 -4.399
76 HA TYR 8 HA TYR 8 3.161 3.246 -4.223
77 1HB TYR 8 2HB TYR 8 2.950 4.046 -1.983
78 2HB TYR 8 1HB TYR 8 1.257 3.582 -1.929
79 HD1 TYR 8 1HD TYR 8 4.554 1.955 -2.585
80 HD2 TYR 8 2HD TYR 8 0.763 1.707 -0.660
81 HE1 TYR 8 1HE TYR 8 5.204 -0.177 -1.583
82 HE2 TYR 8 2HE TYR 8 1.413 -0.387 0.351
83 HH TYR 8 HH TYR 8 4.627 -1.526 0.388
84 H ARG 9 H ARG 9 2.707 0.857 -3.709
85 HA ARG 9 HA ARG 9 0.084 -0.138 -4.363
86 1HB ARG 9 2HB ARG 9 0.905 -1.456 -6.304
87 2HB ARG 9 1HB ARG 9 0.986 0.280 -6.591
88 1HG ARG 9 2HG ARG 9 3.182 0.207 -6.910
89 2HG ARG 9 1HG ARG 9 3.436 -0.681 -5.399
90 1HD ARG 9 2HD ARG 9 2.920 -2.774 -6.533
91 2HD ARG 9 1HD ARG 9 2.594 -1.905 -8.032
92 HE ARG 9 HE ARG 9 4.842 -1.822 -8.418
93 1HH1 ARG 9 1HH1 ARG 9 4.325 -2.521 -5.039
94 2HH1 ARG 9 2HH1 ARG 9 6.001 -2.795 -4.710
95 1HH2 ARG 9 1HH2 ARG 9 7.048 -2.182 -7.990
96 2HH2 ARG 9 2HH2 ARG 9 7.550 -2.599 -6.385
97 H GLY 10 H GLY 10 0.740 -0.812 -2.062
98 1HA GLY 10 2HA GLY 10 1.682 -3.536 -2.210
99 2HA GLY 10 1HA GLY 10 2.669 -2.456 -1.258
100 H ILE 11 H ILE 11 0.062 -1.013 -0.407
101 HA ILE 11 HA ILE 11 -0.257 -2.120 2.081
102 HB ILE 11 HB ILE 11 -2.690 -0.985 0.732
103 1HG1 ILE 11 2HG1 ILE 11 -0.566 0.775 1.940
104 2HG1 ILE 11 1HG1 ILE 11 -0.620 0.448 0.215
105 1HG2 ILE 11 1HG2 ILE 11 -1.741 -0.292 3.462
106 2HG2 ILE 11 2HG2 ILE 11 -2.442 -1.884 3.174
107 3HG2 ILE 11 3HG2 ILE 11 -3.383 -0.431 2.837
108 1HD1 ILE 11 1HD1 ILE 11 -1.871 2.307 0.162
109 2HD1 ILE 11 2HD1 ILE 11 -2.318 2.184 1.858
110 3HD1 ILE 11 3HD1 ILE 11 -3.198 1.234 0.651
111 H TYR 12 H TYR 12 -2.033 -2.863 -0.875
112 HA TYR 12 HA TYR 12 -3.521 -4.505 -1.402
113 1HB TYR 12 2HB TYR 12 -1.130 -5.645 -0.561
114 2HB TYR 12 1HB TYR 12 -2.358 -6.562 0.305
115 HD1 TYR 12 1HD TYR 12 -4.483 -6.191 -1.967
116 HD2 TYR 12 2HD TYR 12 -0.439 -7.515 -1.919
117 HE1 TYR 12 1HE TYR 12 -4.901 -7.524 -3.987
118 HE2 TYR 12 2HE TYR 12 -0.848 -8.852 -3.939
119 HH TYR 12 HH TYR 12 -2.349 -9.011 -5.772
120 H TYR 13 H TYR 13 -4.095 -2.899 1.038
121 HA TYR 13 HA TYR 13 -5.597 -4.858 2.577
122 1HB TYR 13 2HB TYR 13 -5.378 -3.571 4.429
123 2HB TYR 13 1HB TYR 13 -3.989 -2.962 3.544
124 HD1 TYR 13 1HD TYR 13 -5.490 -1.219 1.567
125 HD2 TYR 13 2HD TYR 13 -5.884 -1.722 5.769
126 HE1 TYR 13 1HE TYR 13 -6.386 1.062 1.750
127 HE2 TYR 13 2HE TYR 13 -6.785 0.556 5.967
128 HH TYR 13 HH TYR 13 -6.920 2.586 4.841
129 H ARG 14 H ARG 14 -6.375 -4.004 -0.049
130 HA ARG 14 HA ARG 14 -9.131 -3.647 0.352
131 1HB ARG 14 2HB ARG 14 -9.156 -1.416 0.702
132 2HB ARG 14 1HB ARG 14 -7.529 -1.205 0.085
133 1HG ARG 14 2HG ARG 14 -9.077 0.054 -1.254
134 2HG ARG 14 1HG ARG 14 -8.417 -1.271 -2.214
135 1HD ARG 14 2HD ARG 14 -10.448 -2.102 -2.572
136 2HD ARG 14 1HD ARG 14 -10.803 -2.113 -0.845
137 HE ARG 14 HE ARG 14 -12.086 -0.262 -1.171
138 1HH1 ARG 14 1HH1 ARG 14 -9.782 -0.462 -3.787
139 2HH1 ARG 14 2HH1 ARG 14 -10.434 0.903 -4.631
140 1HH2 ARG 14 1HH2 ARG 14 -12.944 1.533 -2.280
141 2HH2 ARG 14 2HH2 ARG 14 -12.227 2.037 -3.775
142 H ARG 15 H ARG 15 -6.344 -3.450 -1.751
143 HA ARG 15 HA ARG 15 -7.338 -3.385 -4.271
144 1HB ARG 15 2HB ARG 15 -4.927 -4.112 -3.098
145 2HB ARG 15 1HB ARG 15 -5.389 -5.534 -4.020
146 1HG ARG 15 2HG ARG 15 -5.681 -2.993 -5.454
147 2HG ARG 15 1HG ARG 15 -4.026 -3.422 -5.016
148 1HD ARG 15 2HD ARG 15 -5.728 -5.542 -6.202
149 2HD ARG 15 1HD ARG 15 -5.171 -4.255 -7.270
150 HE ARG 15 HE ARG 15 -2.905 -5.003 -6.030
151 1HH1 ARG 15 1HH1 ARG 15 -5.390 -6.822 -7.671
152 2HH1 ARG 15 2HH1 ARG 15 -4.309 -8.075 -8.183
153 1HH2 ARG 15 1HH2 ARG 15 -1.484 -6.650 -6.702
154 2HH2 ARG 15 2HH2 ARG 15 -2.093 -7.978 -7.632
155 H TYR 16 H TYR 16 -7.714 -5.979 -1.979
156 HA TYR 16 HA TYR 16 -8.221 -8.203 -3.425
157 1HB TYR 16 2HB TYR 16 -9.509 -7.081 -0.974
158 2HB TYR 16 1HB TYR 16 -10.199 -8.528 -1.703
159 HD1 TYR 16 1HD TYR 16 -9.682 -10.195 -0.140
160 HD2 TYR 16 2HD TYR 16 -6.613 -7.568 -1.477
161 HE1 TYR 16 1HE TYR 16 -8.006 -11.575 1.015
162 HE2 TYR 16 2HE TYR 16 -4.928 -8.941 -0.326
163 HH TYR 16 HH TYR 16 -5.612 -11.121 2.002
164 H ARG 17 H ARG 17 -10.241 -5.347 -3.285
165 HA ARG 17 HA ARG 17 -12.283 -6.652 -4.932
166 1HB ARG 17 2HB ARG 17 -12.230 -4.152 -3.276
167 2HB ARG 17 1HB ARG 17 -13.429 -4.338 -4.548
168 1HG ARG 17 2HG ARG 17 -14.492 -5.064 -2.596
169 2HG ARG 17 1HG ARG 17 -14.036 -6.544 -3.442
170 1HD ARG 17 2HD ARG 17 -12.546 -7.148 -1.857
171 2HD ARG 17 1HD ARG 17 -12.034 -5.487 -1.559
172 HE ARG 17 HE ARG 17 -13.459 -5.457 0.212
173 1HH1 ARG 17 1HH1 ARG 17 -14.598 -7.860 -2.046
174 2HH1 ARG 17 2HH1 ARG 17 -15.903 -8.377 -1.030
175 1HH2 ARG 17 1HH2 ARG 17 -15.173 -6.135 1.550
176 2HH2 ARG 17 2HH2 ARG 17 -16.230 -7.396 1.010
Start of MODEL 9
1 1H LYS 1 1HT LYS 1 -5.192 2.862 -8.284
2 2H LYS 1 2HT LYS 1 -5.613 4.133 -7.210
3 3H LYS 1 3HT LYS 1 -6.203 2.545 -6.935
4 HA LYS 1 HA LYS 1 -4.078 1.746 -6.448
5 1HB LYS 1 2HB LYS 1 -3.202 4.516 -7.283
6 2HB LYS 1 1HB LYS 1 -2.151 3.370 -6.464
7 1HG LYS 1 2HG LYS 1 -3.402 3.062 -9.182
8 2HG LYS 1 1HG LYS 1 -1.693 3.293 -8.809
9 1HD LYS 1 2HD LYS 1 -3.389 0.894 -8.108
10 2HD LYS 1 1HD LYS 1 -2.108 0.964 -9.320
11 1HE LYS 1 2HE LYS 1 -0.896 0.082 -7.618
12 2HE LYS 1 1HE LYS 1 -0.712 1.786 -7.203
13 1HZ LYS 1 1HZ LYS 1 -2.933 0.175 -6.104
14 2HZ LYS 1 2HZ LYS 1 -2.282 1.620 -5.513
15 3HZ LYS 1 3HZ LYS 1 -1.411 0.180 -5.368
16 H TRP 2 H TRP 2 -4.022 1.502 -4.314
17 HA TRP 2 HA TRP 2 -4.605 1.867 -2.126
18 1HB TRP 2 2HB TRP 2 -2.257 2.998 -2.740
19 2HB TRP 2 1HB TRP 2 -3.117 4.416 -2.151
20 HD1 TRP 2 HD TRP 2 -3.383 0.844 -0.672
21 HE1 TRP 2 1HE TRP 2 -2.601 0.971 1.782
22 HE3 TRP 2 3HE TRP 2 -2.015 5.731 -0.521
23 HZ2 TRP 2 2HZ TRP 2 -1.501 2.872 3.536
24 HZ3 TRP 2 3HZ TRP 2 -1.067 6.624 1.581
25 HH2 TRP 2 HH TRP 2 -0.838 5.236 3.567
26 H TYR 3 H TYR 3 -4.611 4.605 -0.839
27 HA TYR 3 HA TYR 3 -7.067 5.579 -1.984
28 1HB TYR 3 2HB TYR 3 -7.683 5.765 0.616
29 2HB TYR 3 1HB TYR 3 -8.049 4.372 -0.377
30 HD1 TYR 3 1HD TYR 3 -6.163 5.595 2.443
31 HD2 TYR 3 2HD TYR 3 -6.551 2.374 -0.310
32 HE1 TYR 3 1HE TYR 3 -4.872 4.157 3.949
33 HE2 TYR 3 2HE TYR 3 -5.237 0.927 1.189
34 HH TYR 3 HH TYR 3 -3.533 2.159 3.897
35 H PHE 4 H PHE 4 -6.887 7.013 0.950
36 HA PHE 4 HA PHE 4 -6.854 9.544 0.279
37 1HB PHE 4 2HB PHE 4 -5.893 10.152 2.451
38 2HB PHE 4 1HB PHE 4 -7.078 8.863 2.577
39 HD1 PHE 4 1HD PHE 4 -4.967 9.661 4.613
40 HD2 PHE 4 2HD PHE 4 -4.993 6.721 1.540
41 HE1 PHE 4 1HE PHE 4 -3.369 8.301 5.898
42 HE2 PHE 4 2HE PHE 4 -3.416 5.347 2.819
43 HZ PHE 4 HZ PHE 4 -2.590 6.142 5.002
44 H ARG 5 H ARG 5 -3.881 7.666 0.196
45 HA ARG 5 HA ARG 5 -2.512 10.132 -0.648
46 1HB ARG 5 2HB ARG 5 -0.955 7.771 0.262
47 2HB ARG 5 1HB ARG 5 -0.587 9.485 0.405
48 1HG ARG 5 2HG ARG 5 -2.845 8.241 1.956
49 2HG ARG 5 1HG ARG 5 -1.179 8.196 2.541
50 1HD ARG 5 2HD ARG 5 -2.790 10.139 3.252
51 2HD ARG 5 1HD ARG 5 -1.090 10.451 2.916
52 HE ARG 5 HE ARG 5 -2.966 10.821 0.713
53 1HH1 ARG 5 1HH1 ARG 5 -1.051 12.286 3.242
54 2HH1 ARG 5 2HH1 ARG 5 -1.081 13.858 2.519
55 1HH2 ARG 5 1HH2 ARG 5 -3.006 12.886 -0.230
56 2HH2 ARG 5 2HH2 ARG 5 -2.190 14.199 0.552
57 H VAL 6 H VAL 6 -3.244 6.848 -1.511
58 HA VAL 6 HA VAL 6 -2.592 5.583 -3.347
59 HB VAL 6 HB VAL 6 -4.471 6.623 -4.240
60 1HG1 VAL 6 1HG1 VAL 6 -4.104 8.822 -3.255
61 2HG1 VAL 6 2HG1 VAL 6 -4.583 8.954 -4.952
62 3HG1 VAL 6 3HG1 VAL 6 -2.894 9.179 -4.492
63 1HG2 VAL 6 1HG2 VAL 6 -4.060 6.514 -6.453
64 2HG2 VAL 6 2HG2 VAL 6 -2.449 6.024 -5.929
65 3HG2 VAL 6 3HG2 VAL 6 -2.758 7.702 -6.379
66 H TYR 7 H TYR 7 -0.251 5.811 -2.578
67 HA TYR 7 HA TYR 7 1.332 6.992 -4.752
68 1HB TYR 7 2HB TYR 7 3.063 7.526 -2.979
69 2HB TYR 7 1HB TYR 7 1.606 8.510 -2.959
70 HD1 TYR 7 1HD TYR 7 1.936 9.207 -0.671
71 HD2 TYR 7 2HD TYR 7 1.591 5.074 -1.624
72 HE1 TYR 7 1HE TYR 7 1.609 8.683 1.708
73 HE2 TYR 7 2HE TYR 7 1.258 4.539 0.743
74 HH TYR 7 HH TYR 7 1.699 5.478 2.919
75 H TYR 8 H TYR 8 0.431 4.177 -3.528
76 HA TYR 8 HA TYR 8 3.063 2.937 -3.964
77 1HB TYR 8 2HB TYR 8 2.539 2.988 -1.572
78 2HB TYR 8 1HB TYR 8 1.016 2.164 -1.886
79 HD1 TYR 8 1HD TYR 8 4.570 1.785 -1.387
80 HD2 TYR 8 2HD TYR 8 1.044 -0.182 -2.725
81 HE1 TYR 8 1HE TYR 8 5.692 -0.391 -1.136
82 HE2 TYR 8 2HE TYR 8 2.141 -2.331 -2.472
83 HH TYR 8 HH TYR 8 4.360 -3.293 -2.385
84 H ARG 9 H ARG 9 2.870 0.545 -4.465
85 HA ARG 9 HA ARG 9 0.411 0.014 -5.983
86 1HB ARG 9 2HB ARG 9 1.861 -1.211 -7.626
87 2HB ARG 9 1HB ARG 9 2.071 0.534 -7.596
88 1HG ARG 9 2HG ARG 9 4.251 0.038 -7.529
89 2HG ARG 9 1HG ARG 9 3.954 -0.235 -5.810
90 1HD ARG 9 2HD ARG 9 3.248 -2.637 -6.926
91 2HD ARG 9 1HD ARG 9 4.607 -2.135 -7.930
92 HE ARG 9 HE ARG 9 5.071 -1.906 -5.094
93 1HH1 ARG 9 1HH1 ARG 9 5.272 -3.990 -7.887
94 2HH1 ARG 9 2HH1 ARG 9 6.502 -4.997 -7.200
95 1HH2 ARG 9 1HH2 ARG 9 6.689 -3.227 -4.192
96 2HH2 ARG 9 2HH2 ARG 9 7.307 -4.564 -5.103
97 H GLY 10 H GLY 10 -0.672 -1.608 -5.183
98 1HA GLY 10 2HA GLY 10 -1.226 -3.650 -4.366
99 2HA GLY 10 1HA GLY 10 0.283 -4.217 -5.044
100 H ILE 11 H ILE 11 -1.375 -3.151 -2.197
101 HA ILE 11 HA ILE 11 0.958 -3.921 -0.562
102 HB ILE 11 HB ILE 11 -1.390 -2.295 0.383
103 1HG1 ILE 11 2HG1 ILE 11 1.218 -0.986 -0.094
104 2HG1 ILE 11 1HG1 ILE 11 0.280 -1.411 -1.520
105 1HG2 ILE 11 1HG2 ILE 11 0.059 -1.710 2.234
106 2HG2 ILE 11 2HG2 ILE 11 1.377 -2.643 1.522
107 3HG2 ILE 11 3HG2 ILE 11 -0.072 -3.464 2.100
108 1HD1 ILE 11 1HD1 ILE 11 0.023 0.865 0.041
109 2HD1 ILE 11 2HD1 ILE 11 -1.382 -0.129 0.443
110 3HD1 ILE 11 3HD1 ILE 11 -1.064 0.313 -1.238
111 H TYR 12 H TYR 12 -2.482 -4.382 -1.082
112 HA TYR 12 HA TYR 12 -3.928 -6.002 -0.407
113 1HB TYR 12 2HB TYR 12 -1.968 -7.471 -1.102
114 2HB TYR 12 1HB TYR 12 -1.539 -7.546 0.603
115 HD1 TYR 12 1HD TYR 12 -1.906 -9.797 1.130
116 HD2 TYR 12 2HD TYR 12 -4.944 -7.614 -0.895
117 HE1 TYR 12 1HE TYR 12 -3.458 -11.678 1.443
118 HE2 TYR 12 2HE TYR 12 -6.504 -9.488 -0.589
119 HH TYR 12 HH TYR 12 -6.351 -11.687 1.488
120 H TYR 13 H TYR 13 -2.720 -3.906 1.461
121 HA TYR 13 HA TYR 13 -2.845 -5.041 4.083
122 1HB TYR 13 2HB TYR 13 -1.509 -3.152 4.048
123 2HB TYR 13 1HB TYR 13 -2.566 -2.295 2.934
124 HD1 TYR 13 1HD TYR 13 -3.061 -0.279 3.972
125 HD2 TYR 13 2HD TYR 13 -3.341 -3.879 6.223
126 HE1 TYR 13 1HE TYR 13 -4.029 0.979 5.852
127 HE2 TYR 13 2HE TYR 13 -4.307 -2.632 8.109
128 HH TYR 13 HH TYR 13 -5.460 0.533 7.824
129 H ARG 14 H ARG 14 -4.863 -2.453 2.694
130 HA ARG 14 HA ARG 14 -7.109 -3.431 4.299
131 1HB ARG 14 2HB ARG 14 -6.175 -0.826 3.502
132 2HB ARG 14 1HB ARG 14 -7.837 -1.050 2.973
133 1HG ARG 14 2HG ARG 14 -8.599 -1.399 5.171
134 2HG ARG 14 1HG ARG 14 -6.960 -1.624 5.786
135 1HD ARG 14 2HD ARG 14 -8.106 0.614 6.254
136 2HD ARG 14 1HD ARG 14 -6.461 0.654 5.623
137 HE ARG 14 HE ARG 14 -7.257 1.741 3.787
138 1HH1 ARG 14 1HH1 ARG 14 -9.920 0.069 5.301
139 2HH1 ARG 14 2HH1 ARG 14 -11.108 0.725 4.227
140 1HH2 ARG 14 1HH2 ARG 14 -8.818 2.607 2.374
141 2HH2 ARG 14 2HH2 ARG 14 -10.482 2.167 2.564
142 H ARG 15 H ARG 15 -6.172 -4.708 1.808
143 HA ARG 15 HA ARG 15 -8.359 -4.175 -0.054
144 1HB ARG 15 2HB ARG 15 -6.127 -4.355 -1.008
145 2HB ARG 15 1HB ARG 15 -5.917 -5.943 -0.283
146 1HG ARG 15 2HG ARG 15 -8.182 -5.477 -2.164
147 2HG ARG 15 1HG ARG 15 -6.552 -5.716 -2.794
148 1HD ARG 15 2HD ARG 15 -6.651 -7.909 -2.425
149 2HD ARG 15 1HD ARG 15 -7.182 -7.667 -0.762
150 HE ARG 15 HE ARG 15 -9.271 -8.242 -1.445
151 1HH1 ARG 15 1HH1 ARG 15 -7.556 -6.961 -4.203
152 2HH1 ARG 15 2HH1 ARG 15 -8.863 -7.242 -5.303
153 1HH2 ARG 15 1HH2 ARG 15 -10.990 -8.612 -2.892
154 2HH2 ARG 15 2HH2 ARG 15 -10.812 -8.179 -4.558
155 H TYR 16 H TYR 16 -7.366 -6.453 2.344
156 HA TYR 16 HA TYR 16 -8.531 -8.812 1.607
157 1HB TYR 16 2HB TYR 16 -7.285 -8.593 3.676
158 2HB TYR 16 1HB TYR 16 -8.516 -7.529 4.346
159 HD1 TYR 16 1HD TYR 16 -9.241 -8.723 6.230
160 HD2 TYR 16 2HD TYR 16 -9.036 -10.692 2.464
161 HE1 TYR 16 1HE TYR 16 -10.402 -10.666 7.190
162 HE2 TYR 16 2HE TYR 16 -10.199 -12.640 3.413
163 HH TYR 16 HH TYR 16 -11.717 -12.559 6.484
164 H ARG 17 H ARG 17 -10.133 -5.917 2.802
165 HA ARG 17 HA ARG 17 -12.635 -6.765 1.695
166 1HB ARG 17 2HB ARG 17 -13.935 -6.878 3.699
167 2HB ARG 17 1HB ARG 17 -12.572 -7.971 3.892
168 1HG ARG 17 2HG ARG 17 -12.797 -5.206 5.064
169 2HG ARG 17 1HG ARG 17 -13.008 -6.727 5.934
170 1HD ARG 17 2HD ARG 17 -10.610 -7.226 4.980
171 2HD ARG 17 1HD ARG 17 -10.523 -5.469 4.873
172 HE ARG 17 HE ARG 17 -11.398 -6.453 7.434
173 1HH1 ARG 17 1HH1 ARG 17 -8.640 -5.597 5.473
174 2HH1 ARG 17 2HH1 ARG 17 -7.608 -5.306 6.831
175 1HH2 ARG 17 1HH2 ARG 17 -10.042 -6.069 9.221
176 2HH2 ARG 17 2HH2 ARG 17 -8.402 -5.575 8.960
Start of MODEL 10
1 1H LYS 1 1HT LYS 1 -0.575 3.613 -0.853
2 2H LYS 1 2HT LYS 1 -1.124 5.119 -1.454
3 3H LYS 1 3HT LYS 1 0.271 4.380 -2.124
4 HA LYS 1 HA LYS 1 -1.556 4.124 -3.574
5 1HB LYS 1 2HB LYS 1 0.066 2.401 -3.585
6 2HB LYS 1 1HB LYS 1 -0.546 1.688 -2.113
7 1HG LYS 1 2HG LYS 1 -2.394 1.782 -4.415
8 2HG LYS 1 1HG LYS 1 -1.018 0.699 -4.536
9 1HD LYS 1 2HD LYS 1 -1.644 -0.487 -2.602
10 2HD LYS 1 1HD LYS 1 -2.832 0.728 -2.150
11 1HE LYS 1 2HE LYS 1 -3.944 -1.216 -3.063
12 2HE LYS 1 1HE LYS 1 -4.146 0.158 -4.152
13 1HZ LYS 1 1HZ LYS 1 -3.608 -1.818 -5.394
14 2HZ LYS 1 2HZ LYS 1 -2.208 -2.069 -4.479
15 3HZ LYS 1 3HZ LYS 1 -2.320 -0.727 -5.501
16 H TRP 2 H TRP 2 -3.540 2.640 -3.895
17 HA TRP 2 HA TRP 2 -5.763 2.750 -3.612
18 1HB TRP 2 2HB TRP 2 -5.988 0.646 -2.933
19 2HB TRP 2 1HB TRP 2 -4.547 0.738 -1.928
20 HD1 TRP 2 HD TRP 2 -4.923 0.621 0.565
21 HE1 TRP 2 1HE TRP 2 -6.917 0.938 2.177
22 HE3 TRP 2 3HE TRP 2 -8.456 1.979 -2.839
23 HZ2 TRP 2 2HZ TRP 2 -9.666 1.604 1.984
24 HZ3 TRP 2 3HZ TRP 2 -10.744 2.426 -2.062
25 HH2 TRP 2 HH TRP 2 -11.337 2.241 0.300
26 H TYR 3 H TYR 3 -6.433 4.723 -3.231
27 HA TYR 3 HA TYR 3 -7.767 6.188 -2.101
28 1HB TYR 3 2HB TYR 3 -8.366 5.907 0.169
29 2HB TYR 3 1HB TYR 3 -8.212 4.307 -0.532
30 HD1 TYR 3 1HD TYR 3 -5.055 5.937 0.271
31 HD2 TYR 3 2HD TYR 3 -8.178 3.512 1.832
32 HE1 TYR 3 1HE TYR 3 -3.591 5.236 2.089
33 HE2 TYR 3 2HE TYR 3 -6.706 2.795 3.657
34 HH TYR 3 HH TYR 3 -3.700 4.314 4.305
35 H PHE 4 H PHE 4 -7.358 7.456 0.315
36 HA PHE 4 HA PHE 4 -6.330 9.746 0.080
37 1HB PHE 4 2HB PHE 4 -4.965 8.461 2.378
38 2HB PHE 4 1HB PHE 4 -5.978 9.898 2.325
39 HD1 PHE 4 1HD PHE 4 -5.825 6.431 3.133
40 HD2 PHE 4 2HD PHE 4 -8.495 9.566 2.083
41 HE1 PHE 4 1HE PHE 4 -7.704 5.097 4.004
42 HE2 PHE 4 2HE PHE 4 -10.383 8.260 2.972
43 HZ PHE 4 HZ PHE 4 -9.988 6.026 3.936
44 H ARG 5 H ARG 5 -3.895 7.267 0.912
45 HA ARG 5 HA ARG 5 -1.700 8.922 0.357
46 1HB ARG 5 2HB ARG 5 -1.919 5.917 0.440
47 2HB ARG 5 1HB ARG 5 -0.398 6.791 0.326
48 1HG ARG 5 2HG ARG 5 -2.324 6.657 2.610
49 2HG ARG 5 1HG ARG 5 -0.589 6.331 2.592
50 1HD ARG 5 2HD ARG 5 -0.706 8.396 3.645
51 2HD ARG 5 1HD ARG 5 -0.363 8.829 1.973
52 HE ARG 5 HE ARG 5 -2.599 9.583 1.729
53 1HH1 ARG 5 1HH1 ARG 5 -1.901 8.484 4.982
54 2HH1 ARG 5 2HH1 ARG 5 -3.216 9.361 5.686
55 1HH2 ARG 5 1HH2 ARG 5 -4.311 10.739 2.671
56 2HH2 ARG 5 2HH2 ARG 5 -4.585 10.634 4.378
57 H VAL 6 H VAL 6 -2.926 6.200 -1.600
58 HA VAL 6 HA VAL 6 -2.463 5.695 -3.806
59 HB VAL 6 HB VAL 6 -4.436 6.934 -4.082
60 1HG1 VAL 6 1HG1 VAL 6 -4.553 9.368 -4.114
61 2HG1 VAL 6 2HG1 VAL 6 -2.818 9.465 -3.811
62 3HG1 VAL 6 3HG1 VAL 6 -3.891 8.788 -2.583
63 1HG2 VAL 6 1HG2 VAL 6 -4.201 7.274 -6.279
64 2HG2 VAL 6 2HG2 VAL 6 -2.493 6.896 -6.036
65 3HG2 VAL 6 3HG2 VAL 6 -3.037 8.576 -6.039
66 H TYR 7 H TYR 7 -0.136 5.659 -3.334
67 HA TYR 7 HA TYR 7 1.376 7.141 -5.248
68 1HB TYR 7 2HB TYR 7 2.716 8.432 -3.785
69 2HB TYR 7 1HB TYR 7 1.075 8.665 -3.193
70 HD1 TYR 7 1HD TYR 7 4.061 8.676 -1.863
71 HD2 TYR 7 2HD TYR 7 0.631 6.168 -1.694
72 HE1 TYR 7 1HE TYR 7 4.750 7.882 0.361
73 HE2 TYR 7 2HE TYR 7 1.303 5.359 0.521
74 HH TYR 7 HH TYR 7 3.413 6.853 2.448
75 H TYR 8 H TYR 8 0.751 4.362 -4.371
76 HA TYR 8 HA TYR 8 3.505 3.391 -4.205
77 1HB TYR 8 2HB TYR 8 2.901 3.551 -1.924
78 2HB TYR 8 1HB TYR 8 1.297 2.924 -2.220
79 HD1 TYR 8 1HD TYR 8 1.213 1.249 -0.653
80 HD2 TYR 8 2HD TYR 8 4.483 1.354 -3.368
81 HE1 TYR 8 1HE TYR 8 1.914 -0.955 0.142
82 HE2 TYR 8 2HE TYR 8 5.212 -0.859 -2.573
83 HH TYR 8 HH TYR 8 4.442 -2.195 0.133
84 H ARG 9 H ARG 9 1.689 0.769 -3.451
85 HA ARG 9 HA ARG 9 0.177 0.092 -5.613
86 1HB ARG 9 2HB ARG 9 1.503 -0.878 -7.233
87 2HB ARG 9 1HB ARG 9 2.496 0.478 -6.748
88 1HG ARG 9 2HG ARG 9 2.926 -2.430 -6.335
89 2HG ARG 9 1HG ARG 9 4.053 -1.176 -6.840
90 1HD ARG 9 2HD ARG 9 4.834 -1.077 -4.784
91 2HD ARG 9 1HD ARG 9 3.252 -0.553 -4.229
92 HE ARG 9 HE ARG 9 3.026 -2.578 -3.236
93 1HH1 ARG 9 1HH1 ARG 9 5.211 -2.942 -5.932
94 2HH1 ARG 9 2HH1 ARG 9 5.513 -4.619 -5.622
95 1HH2 ARG 9 1HH2 ARG 9 3.422 -4.780 -2.825
96 2HH2 ARG 9 2HH2 ARG 9 4.496 -5.663 -3.858
97 H GLY 10 H GLY 10 0.362 -0.396 -2.794
98 1HA GLY 10 2HA GLY 10 0.083 -3.302 -2.868
99 2HA GLY 10 1HA GLY 10 1.279 -2.655 -1.761
100 H ILE 11 H ILE 11 0.644 -1.992 0.206
101 HA ILE 11 HA ILE 11 -0.639 -1.540 2.014
102 HB ILE 11 HB ILE 11 -2.648 -0.837 -0.116
103 1HG1 ILE 11 2HG1 ILE 11 -2.296 1.098 1.952
104 2HG1 ILE 11 1HG1 ILE 11 -0.701 0.529 1.447
105 1HG2 ILE 11 1HG2 ILE 11 -3.189 -1.457 2.741
106 2HG2 ILE 11 2HG2 ILE 11 -4.221 -1.633 1.328
107 3HG2 ILE 11 3HG2 ILE 11 -3.980 -0.045 2.045
108 1HD1 ILE 11 1HD1 ILE 11 -1.318 2.443 0.152
109 2HD1 ILE 11 2HD1 ILE 11 -2.848 1.681 -0.308
110 3HD1 ILE 11 3HD1 ILE 11 -1.322 1.009 -0.877
111 H TYR 12 H TYR 12 -2.420 -3.457 -0.397
112 HA TYR 12 HA TYR 12 -3.300 -5.569 -0.246
113 1HB TYR 12 2HB TYR 12 -1.361 -5.604 1.723
114 2HB TYR 12 1HB TYR 12 -2.822 -6.002 2.618
115 HD1 TYR 12 1HD TYR 12 -3.623 -8.189 2.621
116 HD2 TYR 12 2HD TYR 12 -0.859 -7.001 -0.387
117 HE1 TYR 12 1HE TYR 12 -3.444 -10.522 1.872
118 HE2 TYR 12 2HE TYR 12 -0.675 -9.333 -1.147
119 HH TYR 12 HH TYR 12 -1.940 -11.404 -1.063
120 H TYR 13 H TYR 13 -4.665 -3.109 0.249
121 HA TYR 13 HA TYR 13 -6.364 -3.308 2.482
122 1HB TYR 13 2HB TYR 13 -7.575 -1.470 1.595
123 2HB TYR 13 1HB TYR 13 -5.887 -1.206 1.202
124 HD1 TYR 13 1HD TYR 13 -5.140 -1.964 -1.195
125 HD2 TYR 13 2HD TYR 13 -9.185 -1.289 -0.055
126 HE1 TYR 13 1HE TYR 13 -5.755 -1.688 -3.558
127 HE2 TYR 13 2HE TYR 13 -9.809 -1.009 -2.417
128 HH TYR 13 HH TYR 13 -7.466 -0.703 -4.912
129 H ARG 14 H ARG 14 -6.953 -3.909 -0.960
130 HA ARG 14 HA ARG 14 -9.359 -5.442 -0.234
131 1HB ARG 14 2HB ARG 14 -10.161 -5.087 -2.449
132 2HB ARG 14 1HB ARG 14 -9.559 -3.543 -1.868
133 1HG ARG 14 2HG ARG 14 -7.531 -3.806 -3.158
134 2HG ARG 14 1HG ARG 14 -8.037 -5.415 -3.670
135 1HD ARG 14 2HD ARG 14 -9.893 -4.505 -4.893
136 2HD ARG 14 1HD ARG 14 -9.571 -2.890 -4.262
137 HE ARG 14 HE ARG 14 -8.012 -2.623 -5.904
138 1HH1 ARG 14 1HH1 ARG 14 -8.585 -6.041 -5.480
139 2HH1 ARG 14 2HH1 ARG 14 -7.578 -6.501 -6.811
140 1HH2 ARG 14 1HH2 ARG 14 -6.690 -3.229 -7.659
141 2HH2 ARG 14 2HH2 ARG 14 -6.502 -4.906 -8.048
142 H ARG 15 H ARG 15 -6.628 -6.501 -0.004
143 HA ARG 15 HA ARG 15 -6.512 -8.472 -2.152
144 1HB ARG 15 2HB ARG 15 -4.636 -7.765 0.097
145 2HB ARG 15 1HB ARG 15 -4.391 -9.178 -0.920
146 1HG ARG 15 2HG ARG 15 -4.603 -6.364 -1.966
147 2HG ARG 15 1HG ARG 15 -3.082 -7.178 -1.602
148 1HD ARG 15 2HD ARG 15 -3.178 -8.466 -3.448
149 2HD ARG 15 1HD ARG 15 -4.923 -8.688 -3.326
150 HE ARG 15 HE ARG 15 -4.517 -6.058 -4.079
151 1HH1 ARG 15 1HH1 ARG 15 -3.842 -9.225 -5.379
152 2HH1 ARG 15 2HH1 ARG 15 -3.938 -8.705 -7.029
153 1HH2 ARG 15 1HH2 ARG 15 -4.645 -5.374 -6.247
154 2HH2 ARG 15 2HH2 ARG 15 -4.394 -6.519 -7.521
155 H TYR 16 H TYR 16 -7.165 -8.227 1.279
156 HA TYR 16 HA TYR 16 -7.752 -9.777 2.860
157 1HB TYR 16 2HB TYR 16 -9.766 -11.051 2.236
158 2HB TYR 16 1HB TYR 16 -9.860 -9.375 1.710
159 HD1 TYR 16 1HD TYR 16 -9.627 -8.819 -0.694
160 HD2 TYR 16 2HD TYR 16 -9.766 -12.851 0.660
161 HE1 TYR 16 1HE TYR 16 -10.123 -9.565 -2.983
162 HE2 TYR 16 2HE TYR 16 -10.259 -13.606 -1.627
163 HH TYR 16 HH TYR 16 -10.020 -12.863 -3.906
164 H ARG 17 H ARG 17 -5.373 -10.595 2.007
165 HA ARG 17 HA ARG 17 -3.982 -12.394 1.928
166 1HB ARG 17 2HB ARG 17 -6.242 -14.263 2.516
167 2HB ARG 17 1HB ARG 17 -4.584 -14.304 3.098
168 1HG ARG 17 2HG ARG 17 -6.801 -12.485 4.009
169 2HG ARG 17 1HG ARG 17 -5.999 -13.758 4.931
170 1HD ARG 17 2HD ARG 17 -4.881 -11.113 4.041
171 2HD ARG 17 1HD ARG 17 -5.078 -11.715 5.685
172 HE ARG 17 HE ARG 17 -3.380 -13.500 4.545
173 1HH1 ARG 17 1HH1 ARG 17 -3.377 -10.025 4.865
174 2HH1 ARG 17 2HH1 ARG 17 -1.650 -9.904 4.898
175 1HH2 ARG 17 1HH2 ARG 17 -1.109 -13.343 4.588
176 2HH2 ARG 17 2HH2 ARG 17 -0.361 -11.789 4.740
Start of MODEL 11
1 1H LYS 1 1HT LYS 1 -5.421 -0.517 -4.358
2 2H LYS 1 2HT LYS 1 -3.751 -0.278 -4.665
3 3H LYS 1 3HT LYS 1 -4.812 -0.688 -5.950
4 HA LYS 1 HA LYS 1 -4.081 1.682 -5.740
5 1HB LYS 1 2HB LYS 1 -6.691 2.297 -6.026
6 2HB LYS 1 1HB LYS 1 -5.741 1.511 -7.275
7 1HG LYS 1 2HG LYS 1 -7.028 -0.296 -5.340
8 2HG LYS 1 1HG LYS 1 -8.118 0.615 -6.384
9 1HD LYS 1 2HD LYS 1 -7.507 -0.524 -8.230
10 2HD LYS 1 1HD LYS 1 -5.810 -0.585 -7.751
11 1HE LYS 1 2HE LYS 1 -7.590 -2.201 -6.079
12 2HE LYS 1 1HE LYS 1 -7.524 -2.712 -7.764
13 1HZ LYS 1 1HZ LYS 1 -5.802 -3.878 -6.791
14 2HZ LYS 1 2HZ LYS 1 -5.346 -2.600 -5.781
15 3HZ LYS 1 3HZ LYS 1 -4.994 -2.538 -7.434
16 H TRP 2 H TRP 2 -4.055 0.822 -2.968
17 HA TRP 2 HA TRP 2 -5.748 1.787 -1.207
18 1HB TRP 2 2HB TRP 2 -3.420 0.702 -0.910
19 2HB TRP 2 1HB TRP 2 -2.843 2.358 -0.819
20 HD1 TRP 2 HD TRP 2 -4.274 -0.318 1.353
21 HE1 TRP 2 1HE TRP 2 -4.770 0.674 3.688
22 HE3 TRP 2 3HE TRP 2 -3.869 4.612 0.240
23 HZ2 TRP 2 2HZ TRP 2 -4.941 3.198 4.889
24 HZ3 TRP 2 3HZ TRP 2 -4.254 6.232 1.978
25 HH2 TRP 2 HH TRP 2 -4.753 5.567 4.288
26 H TYR 3 H TYR 3 -6.798 3.293 -1.686
27 HA TYR 3 HA TYR 3 -6.798 5.604 -2.940
28 1HB TYR 3 2HB TYR 3 -8.455 6.322 -0.975
29 2HB TYR 3 1HB TYR 3 -8.842 5.009 -2.081
30 HD1 TYR 3 1HD TYR 3 -10.276 3.793 -0.536
31 HD2 TYR 3 2HD TYR 3 -6.266 4.754 0.493
32 HE1 TYR 3 1HE TYR 3 -10.352 2.149 1.293
33 HE2 TYR 3 2HE TYR 3 -6.305 3.099 2.292
34 HH TYR 3 HH TYR 3 -8.832 0.809 2.635
35 H PHE 4 H PHE 4 -7.480 6.990 -0.084
36 HA PHE 4 HA PHE 4 -6.267 9.250 -0.128
37 1HB PHE 4 2HB PHE 4 -5.762 8.633 2.538
38 2HB PHE 4 1HB PHE 4 -7.193 9.399 1.868
39 HD1 PHE 4 1HD PHE 4 -5.849 6.571 3.507
40 HD2 PHE 4 2HD PHE 4 -9.152 7.895 1.210
41 HE1 PHE 4 1HE PHE 4 -7.132 4.606 4.280
42 HE2 PHE 4 2HE PHE 4 -10.473 5.965 1.985
43 HZ PHE 4 HZ PHE 4 -9.468 4.323 3.524
44 H ARG 5 H ARG 5 -4.331 8.921 -1.377
45 HA ARG 5 HA ARG 5 -2.106 9.829 -0.441
46 1HB ARG 5 2HB ARG 5 -0.599 7.886 0.146
47 2HB ARG 5 1HB ARG 5 -1.769 8.348 1.365
48 1HG ARG 5 2HG ARG 5 -2.326 6.213 1.471
49 2HG ARG 5 1HG ARG 5 -3.062 6.397 -0.121
50 1HD ARG 5 2HD ARG 5 -0.255 6.060 -0.460
51 2HD ARG 5 1HD ARG 5 -0.830 4.810 0.640
52 HE ARG 5 HE ARG 5 -2.447 5.103 -1.712
53 1HH1 ARG 5 1HH1 ARG 5 0.349 3.542 -0.341
54 2HH1 ARG 5 2HH1 ARG 5 0.337 2.252 -1.496
55 1HH2 ARG 5 1HH2 ARG 5 -2.457 3.420 -3.227
56 2HH2 ARG 5 2HH2 ARG 5 -1.247 2.184 -3.138
57 H VAL 6 H VAL 6 -2.824 6.707 -1.904
58 HA VAL 6 HA VAL 6 -1.938 5.643 -3.723
59 HB VAL 6 HB VAL 6 -3.790 6.646 -4.750
60 1HG1 VAL 6 1HG1 VAL 6 -3.616 9.022 -5.671
61 2HG1 VAL 6 2HG1 VAL 6 -2.238 9.203 -4.586
62 3HG1 VAL 6 3HG1 VAL 6 -3.833 8.825 -3.932
63 1HG2 VAL 6 1HG2 VAL 6 -3.147 6.505 -6.902
64 2HG2 VAL 6 2HG2 VAL 6 -1.586 6.069 -6.204
65 3HG2 VAL 6 3HG2 VAL 6 -1.889 7.728 -6.719
66 H TYR 7 H TYR 7 0.259 5.881 -2.739
67 HA TYR 7 HA TYR 7 2.001 7.360 -4.592
68 1HB TYR 7 2HB TYR 7 3.618 7.604 -2.697
69 2HB TYR 7 1HB TYR 7 2.121 8.503 -2.485
70 HD1 TYR 7 1HD TYR 7 1.386 8.555 -0.321
71 HD2 TYR 7 2HD TYR 7 3.280 5.010 -1.718
72 HE1 TYR 7 1HE TYR 7 1.052 7.513 1.880
73 HE2 TYR 7 2HE TYR 7 2.943 3.959 0.477
74 HH TYR 7 HH TYR 7 1.005 4.538 2.521
75 H TYR 8 H TYR 8 1.159 4.357 -3.239
76 HA TYR 8 HA TYR 8 3.721 3.210 -4.108
77 1HB TYR 8 2HB TYR 8 3.786 2.378 -2.024
78 2HB TYR 8 1HB TYR 8 2.109 2.779 -1.719
79 HD1 TYR 8 1HD TYR 8 3.435 0.428 -4.273
80 HD2 TYR 8 2HD TYR 8 1.313 0.832 -0.591
81 HE1 TYR 8 1HE TYR 8 2.855 -1.933 -4.348
82 HE2 TYR 8 2HE TYR 8 0.794 -1.538 -0.647
83 HH TYR 8 HH TYR 8 1.013 -3.430 -3.337
84 H ARG 9 H ARG 9 0.587 1.603 -3.565
85 HA ARG 9 HA ARG 9 -0.185 1.299 -6.204
86 1HB ARG 9 2HB ARG 9 2.052 -0.341 -5.532
87 2HB ARG 9 1HB ARG 9 0.666 -1.360 -5.876
88 1HG ARG 9 2HG ARG 9 0.890 -1.013 -8.049
89 2HG ARG 9 1HG ARG 9 0.891 0.735 -7.821
90 1HD ARG 9 2HD ARG 9 3.071 0.829 -8.221
91 2HD ARG 9 1HD ARG 9 3.391 -0.337 -6.940
92 HE ARG 9 HE ARG 9 2.576 -1.899 -8.984
93 1HH1 ARG 9 1HH1 ARG 9 4.982 0.618 -8.736
94 2HH1 ARG 9 2HH1 ARG 9 6.005 -0.068 -9.952
95 1HH2 ARG 9 1HH2 ARG 9 3.923 -2.804 -10.582
96 2HH2 ARG 9 2HH2 ARG 9 5.406 -2.012 -10.999
97 H GLY 10 H GLY 10 0.055 -0.258 -3.088
98 1HA GLY 10 2HA GLY 10 -2.551 -0.249 -2.418
99 2HA GLY 10 1HA GLY 10 -2.417 -1.696 -3.403
100 H ILE 11 H ILE 11 -1.592 -0.129 -0.451
101 HA ILE 11 HA ILE 11 0.182 -1.636 0.887
102 HB ILE 11 HB ILE 11 -2.416 -0.471 1.748
103 1HG1 ILE 11 2HG1 ILE 11 -0.343 0.766 3.104
104 2HG1 ILE 11 1HG1 ILE 11 0.311 0.453 1.495
105 1HG2 ILE 11 1HG2 ILE 11 -0.648 -2.227 3.328
106 2HG2 ILE 11 2HG2 ILE 11 -2.368 -1.890 3.514
107 3HG2 ILE 11 3HG2 ILE 11 -1.175 -0.745 4.126
108 1HD1 ILE 11 1HD1 ILE 11 -2.245 1.926 2.141
109 2HD1 ILE 11 2HD1 ILE 11 -1.656 1.535 0.517
110 3HD1 ILE 11 3HD1 ILE 11 -0.727 2.624 1.546
111 H TYR 12 H TYR 12 -3.177 -2.337 1.662
112 HA TYR 12 HA TYR 12 -3.368 -4.982 0.826
113 1HB TYR 12 2HB TYR 12 -1.600 -4.685 3.032
114 2HB TYR 12 1HB TYR 12 -3.072 -5.425 3.652
115 HD1 TYR 12 1HD TYR 12 -1.624 -5.897 0.265
116 HD2 TYR 12 2HD TYR 12 -2.314 -7.601 4.101
117 HE1 TYR 12 1HE TYR 12 -0.870 -8.080 -0.577
118 HE2 TYR 12 2HE TYR 12 -1.566 -9.789 3.271
119 HH TYR 12 HH TYR 12 -1.335 -10.979 1.157
120 H TYR 13 H TYR 13 -4.912 -2.624 1.103
121 HA TYR 13 HA TYR 13 -6.662 -2.519 3.242
122 1HB TYR 13 2HB TYR 13 -8.243 -1.459 1.554
123 2HB TYR 13 1HB TYR 13 -6.652 -0.718 1.703
124 HD1 TYR 13 1HD TYR 13 -8.764 -2.883 -0.403
125 HD2 TYR 13 2HD TYR 13 -5.123 -0.680 -0.149
126 HE1 TYR 13 1HE TYR 13 -8.426 -3.170 -2.821
127 HE2 TYR 13 2HE TYR 13 -4.782 -0.965 -2.563
128 HH TYR 13 HH TYR 13 -6.748 -3.093 -4.469
129 H ARG 14 H ARG 14 -6.870 -4.476 0.291
130 HA ARG 14 HA ARG 14 -9.196 -5.843 1.475
131 1HB ARG 14 2HB ARG 14 -8.664 -4.869 -1.207
132 2HB ARG 14 1HB ARG 14 -9.078 -6.577 -1.215
133 1HG ARG 14 2HG ARG 14 -10.714 -4.318 -0.088
134 2HG ARG 14 1HG ARG 14 -11.074 -5.295 -1.514
135 1HD ARG 14 2HD ARG 14 -12.182 -6.726 -0.229
136 2HD ARG 14 1HD ARG 14 -10.690 -7.081 0.641
137 HE ARG 14 HE ARG 14 -11.505 -5.888 2.402
138 1HH1 ARG 14 1HH1 ARG 14 -13.222 -4.903 -0.472
139 2HH1 ARG 14 2HH1 ARG 14 -14.321 -3.876 0.385
140 1HH2 ARG 14 1HH2 ARG 14 -12.950 -4.540 3.532
141 2HH2 ARG 14 2HH2 ARG 14 -14.167 -3.670 2.660
142 H ARG 15 H ARG 15 -6.132 -6.323 1.632
143 HA ARG 15 HA ARG 15 -6.310 -9.200 1.029
144 1HB ARG 15 2HB ARG 15 -3.581 -8.177 1.108
145 2HB ARG 15 1HB ARG 15 -4.357 -9.208 -0.082
146 1HG ARG 15 2HG ARG 15 -4.762 -6.233 0.007
147 2HG ARG 15 1HG ARG 15 -3.475 -7.006 -0.921
148 1HD ARG 15 2HD ARG 15 -5.671 -8.441 -1.686
149 2HD ARG 15 1HD ARG 15 -6.347 -6.828 -1.462
150 HE ARG 15 HE ARG 15 -4.730 -7.679 -3.606
151 1HH1 ARG 15 1HH1 ARG 15 -5.189 -4.948 -1.481
152 2HH1 ARG 15 2HH1 ARG 15 -4.596 -3.796 -2.630
153 1HH2 ARG 15 1HH2 ARG 15 -3.952 -6.166 -5.117
154 2HH2 ARG 15 2HH2 ARG 15 -3.894 -4.487 -4.695
155 H TYR 16 H TYR 16 -6.905 -7.665 3.465
156 HA TYR 16 HA TYR 16 -4.959 -7.718 5.402
157 1HB TYR 16 2HB TYR 16 -6.696 -7.613 6.996
158 2HB TYR 16 1HB TYR 16 -7.368 -6.869 5.546
159 HD1 TYR 16 1HD TYR 16 -8.381 -8.678 8.158
160 HD2 TYR 16 2HD TYR 16 -8.268 -9.049 3.922
161 HE1 TYR 16 1HE TYR 16 -10.284 -10.234 8.250
162 HE2 TYR 16 2HE TYR 16 -10.171 -10.604 4.001
163 HH TYR 16 HH TYR 16 -11.136 -12.238 5.835
164 H ARG 17 H ARG 17 -5.002 -9.243 7.368
165 HA ARG 17 HA ARG 17 -3.994 -11.730 6.589
166 1HB ARG 17 2HB ARG 17 -5.146 -11.175 9.317
167 2HB ARG 17 1HB ARG 17 -3.812 -12.242 8.897
168 1HG ARG 17 2HG ARG 17 -2.521 -10.556 9.587
169 2HG ARG 17 1HG ARG 17 -2.879 -9.847 8.011
170 1HD ARG 17 2HD ARG 17 -4.192 -8.245 8.892
171 2HD ARG 17 1HD ARG 17 -4.901 -9.340 10.077
172 HE ARG 17 HE ARG 17 -2.303 -8.885 10.899
173 1HH1 ARG 17 1HH1 ARG 17 -5.173 -6.978 10.347
174 2HH1 ARG 17 2HH1 ARG 17 -4.765 -5.793 11.541
175 1HH2 ARG 17 1HH2 ARG 17 -1.767 -7.326 12.472
176 2HH2 ARG 17 2HH2 ARG 17 -2.833 -5.989 12.749
Start of MODEL 12
1 1H LYS 1 1HT LYS 1 0.140 4.488 -2.369
2 2H LYS 1 2HT LYS 1 -1.391 5.068 -2.888
3 3H LYS 1 3HT LYS 1 -0.623 3.793 -3.737
4 HA LYS 1 HA LYS 1 -1.011 2.288 -2.148
5 1HB LYS 1 2HB LYS 1 -1.176 4.715 -0.400
6 2HB LYS 1 1HB LYS 1 -1.919 3.224 0.124
7 1HG LYS 1 2HG LYS 1 0.338 2.125 -0.328
8 2HG LYS 1 1HG LYS 1 0.975 3.761 -0.401
9 1HD LYS 1 2HD LYS 1 0.169 4.173 1.883
10 2HD LYS 1 1HD LYS 1 -0.469 2.537 1.953
11 1HE LYS 1 2HE LYS 1 1.972 3.260 2.859
12 2HE LYS 1 1HE LYS 1 1.550 1.632 2.343
13 1HZ LYS 1 1HZ LYS 1 3.642 2.529 1.375
14 2HZ LYS 1 2HZ LYS 1 2.718 3.666 0.530
15 3HZ LYS 1 3HZ LYS 1 2.512 2.017 0.224
16 H TRP 2 H TRP 2 -3.131 1.542 -1.227
17 HA TRP 2 HA TRP 2 -5.062 1.308 -2.882
18 1HB TRP 2 2HB TRP 2 -6.674 1.735 -0.673
19 2HB TRP 2 1HB TRP 2 -5.945 0.227 -1.182
20 HD1 TRP 2 HD TRP 2 -5.460 -0.861 1.082
21 HE1 TRP 2 1HE TRP 2 -4.090 -0.235 3.165
22 HE3 TRP 2 3HE TRP 2 -4.212 3.950 -0.121
23 HZ2 TRP 2 2HZ TRP 2 -2.665 1.958 4.164
24 HZ3 TRP 2 3HZ TRP 2 -2.849 5.236 1.452
25 HH2 TRP 2 HH TRP 2 -2.087 4.264 3.555
26 H TYR 3 H TYR 3 -4.907 4.452 -1.149
27 HA TYR 3 HA TYR 3 -6.436 5.667 -3.184
28 1HB TYR 3 2HB TYR 3 -8.230 6.174 -1.234
29 2HB TYR 3 1HB TYR 3 -8.391 4.899 -2.424
30 HD1 TYR 3 1HD TYR 3 -5.960 4.744 0.350
31 HD2 TYR 3 2HD TYR 3 -9.774 3.473 -1.068
32 HE1 TYR 3 1HE TYR 3 -6.013 3.008 2.086
33 HE2 TYR 3 2HE TYR 3 -9.859 1.763 0.694
34 HH TYR 3 HH TYR 3 -8.887 1.266 2.836
35 H PHE 4 H PHE 4 -6.982 6.554 0.153
36 HA PHE 4 HA PHE 4 -6.645 9.187 -0.062
37 1HB PHE 4 2HB PHE 4 -6.374 9.348 2.314
38 2HB PHE 4 1HB PHE 4 -7.488 8.043 1.942
39 HD1 PHE 4 1HD PHE 4 -4.463 8.986 3.599
40 HD2 PHE 4 2HD PHE 4 -6.651 5.668 2.097
41 HE1 PHE 4 1HE PHE 4 -3.150 7.479 5.033
42 HE2 PHE 4 2HE PHE 4 -5.334 4.139 3.520
43 HZ PHE 4 HZ PHE 4 -3.586 5.056 4.995
44 H ARG 5 H ARG 5 -3.933 7.034 -0.195
45 HA ARG 5 HA ARG 5 -2.152 9.346 0.193
46 1HB ARG 5 2HB ARG 5 -1.367 6.443 0.188
47 2HB ARG 5 1HB ARG 5 -0.382 7.818 0.678
48 1HG ARG 5 2HG ARG 5 -2.952 7.096 2.051
49 2HG ARG 5 1HG ARG 5 -1.387 6.429 2.532
50 1HD ARG 5 2HD ARG 5 -1.717 8.286 3.938
51 2HD ARG 5 1HD ARG 5 -0.579 8.832 2.710
52 HE ARG 5 HE ARG 5 -2.976 9.591 1.701
53 1HH1 ARG 5 1HH1 ARG 5 -1.423 10.067 4.792
54 2HH1 ARG 5 2HH1 ARG 5 -2.203 11.584 5.089
55 1HH2 ARG 5 1HH2 ARG 5 -4.002 11.585 2.092
56 2HH2 ARG 5 2HH2 ARG 5 -3.667 12.445 3.558
57 H VAL 6 H VAL 6 -2.929 6.750 -2.044
58 HA VAL 6 HA VAL 6 -2.167 6.335 -4.177
59 HB VAL 6 HB VAL 6 -3.860 7.757 -4.797
60 1HG1 VAL 6 1HG1 VAL 6 -3.671 9.263 -2.880
61 2HG1 VAL 6 2HG1 VAL 6 -3.936 10.157 -4.383
62 3HG1 VAL 6 3HG1 VAL 6 -2.325 10.093 -3.669
63 1HG2 VAL 6 1HG2 VAL 6 -3.146 8.663 -6.740
64 2HG2 VAL 6 2HG2 VAL 6 -1.639 7.856 -6.298
65 3HG2 VAL 6 3HG2 VAL 6 -1.850 9.577 -5.966
66 H TYR 7 H TYR 7 0.018 6.028 -3.207
67 HA TYR 7 HA TYR 7 2.009 7.384 -4.769
68 1HB TYR 7 2HB TYR 7 3.362 8.097 -2.918
69 2HB TYR 7 1HB TYR 7 1.741 8.724 -2.651
70 HD1 TYR 7 1HD TYR 7 4.318 7.740 -0.832
71 HD2 TYR 7 2HD TYR 7 0.305 6.488 -1.481
72 HE1 TYR 7 1HE TYR 7 4.281 6.700 1.397
73 HE2 TYR 7 2HE TYR 7 0.254 5.437 0.732
74 HH TYR 7 HH TYR 7 1.396 5.592 2.863
75 H TYR 8 H TYR 8 0.724 4.710 -4.264
76 HA TYR 8 HA TYR 8 3.040 3.040 -4.447
77 1HB TYR 8 2HB TYR 8 2.916 3.339 -2.035
78 2HB TYR 8 1HB TYR 8 1.203 2.963 -2.071
79 HD1 TYR 8 1HD TYR 8 4.573 1.537 -2.551
80 HD2 TYR 8 2HD TYR 8 0.425 0.681 -1.954
81 HE1 TYR 8 1HE TYR 8 5.105 -0.840 -2.232
82 HE2 TYR 8 2HE TYR 8 0.968 -1.660 -1.658
83 HH TYR 8 HH TYR 8 2.905 -3.253 -2.408
84 H ARG 9 H ARG 9 2.110 0.580 -4.334
85 HA ARG 9 HA ARG 9 -0.576 0.561 -5.471
86 1HB ARG 9 2HB ARG 9 0.288 -1.238 -7.094
87 2HB ARG 9 1HB ARG 9 0.655 0.445 -7.445
88 1HG ARG 9 2HG ARG 9 2.761 -0.232 -7.684
89 2HG ARG 9 1HG ARG 9 2.804 -0.336 -5.925
90 1HD ARG 9 2HD ARG 9 2.724 -2.596 -5.920
91 2HD ARG 9 1HD ARG 9 1.679 -2.667 -7.339
92 HE ARG 9 HE ARG 9 3.544 -2.986 -8.599
93 1HH1 ARG 9 1HH1 ARG 9 4.496 -1.378 -5.652
94 2HH1 ARG 9 2HH1 ARG 9 6.185 -1.415 -6.030
95 1HH2 ARG 9 1HH2 ARG 9 5.767 -3.037 -9.097
96 2HH2 ARG 9 2HH2 ARG 9 6.907 -2.356 -7.985
97 H GLY 10 H GLY 10 -1.814 -0.578 -4.280
98 1HA GLY 10 2HA GLY 10 -2.657 -2.217 -2.962
99 2HA GLY 10 1HA GLY 10 -1.676 -3.300 -3.927
100 H ILE 11 H ILE 11 -1.920 -1.488 -0.972
101 HA ILE 11 HA ILE 11 0.598 -2.323 0.117
102 HB ILE 11 HB ILE 11 -1.849 -1.299 1.542
103 1HG1 ILE 11 2HG1 ILE 11 0.113 0.672 1.550
104 2HG1 ILE 11 1HG1 ILE 11 0.114 0.037 -0.090
105 1HG2 ILE 11 1HG2 ILE 11 0.950 -1.832 2.444
106 2HG2 ILE 11 2HG2 ILE 11 -0.573 -2.281 3.212
107 3HG2 ILE 11 3HG2 ILE 11 -0.033 -0.602 3.240
108 1HD1 ILE 11 1HD1 ILE 11 -1.721 1.838 1.127
109 2HD1 ILE 11 2HD1 ILE 11 -2.586 0.371 0.666
110 3HD1 ILE 11 3HD1 ILE 11 -1.654 1.261 -0.535
111 H TYR 12 H TYR 12 -2.759 -3.407 0.392
112 HA TYR 12 HA TYR 12 -3.688 -5.336 1.157
113 1HB TYR 12 2HB TYR 12 -2.237 -6.561 -0.295
114 2HB TYR 12 1HB TYR 12 -0.850 -6.298 0.755
115 HD1 TYR 12 1HD TYR 12 -0.278 -8.625 0.936
116 HD2 TYR 12 2HD TYR 12 -4.154 -7.272 2.053
117 HE1 TYR 12 1HE TYR 12 -0.704 -10.776 2.048
118 HE2 TYR 12 2HE TYR 12 -4.587 -9.412 3.167
119 HH TYR 12 HH TYR 12 -2.705 -11.351 4.234
120 H TYR 13 H TYR 13 -3.790 -3.820 3.087
121 HA TYR 13 HA TYR 13 -2.092 -4.634 5.305
122 1HB TYR 13 2HB TYR 13 -2.820 -2.707 6.441
123 2HB TYR 13 1HB TYR 13 -2.668 -2.204 4.763
124 HD1 TYR 13 1HD TYR 13 -4.833 -2.194 3.350
125 HD2 TYR 13 2HD TYR 13 -4.806 -2.339 7.602
126 HE1 TYR 13 1HE TYR 13 -7.151 -1.378 3.386
127 HE2 TYR 13 2HE TYR 13 -7.124 -1.522 7.649
128 HH TYR 13 HH TYR 13 -8.579 0.016 5.500
129 H ARG 14 H ARG 14 -5.564 -4.516 4.511
130 HA ARG 14 HA ARG 14 -5.980 -6.660 6.471
131 1HB ARG 14 2HB ARG 14 -7.375 -4.016 6.359
132 2HB ARG 14 1HB ARG 14 -8.249 -5.431 6.923
133 1HG ARG 14 2HG ARG 14 -6.807 -5.722 8.757
134 2HG ARG 14 1HG ARG 14 -5.607 -4.616 8.090
135 1HD ARG 14 2HD ARG 14 -6.556 -2.914 9.151
136 2HD ARG 14 1HD ARG 14 -8.083 -3.229 8.327
137 HE ARG 14 HE ARG 14 -7.389 -3.930 11.029
138 1HH1 ARG 14 1HH1 ARG 14 -9.464 -4.666 8.320
139 2HH1 ARG 14 2HH1 ARG 14 -10.697 -5.384 9.300
140 1HH2 ARG 14 1HH2 ARG 14 -9.011 -4.875 12.319
141 2HH2 ARG 14 2HH2 ARG 14 -10.441 -5.502 11.569
142 H ARG 15 H ARG 15 -5.735 -7.257 3.882
143 HA ARG 15 HA ARG 15 -8.502 -7.848 3.072
144 1HB ARG 15 2HB ARG 15 -6.538 -7.651 0.881
145 2HB ARG 15 1HB ARG 15 -8.216 -7.131 0.939
146 1HG ARG 15 2HG ARG 15 -7.103 -5.321 2.592
147 2HG ARG 15 1HG ARG 15 -5.748 -5.638 1.507
148 1HD ARG 15 2HD ARG 15 -6.978 -3.822 0.585
149 2HD ARG 15 1HD ARG 15 -7.318 -5.238 -0.409
150 HE ARG 15 HE ARG 15 -9.511 -5.039 0.170
151 1HH1 ARG 15 1HH1 ARG 15 -7.598 -3.374 2.567
152 2HH1 ARG 15 2HH1 ARG 15 -8.975 -2.764 3.422
153 1HH2 ARG 15 1HH2 ARG 15 -11.322 -4.237 1.294
154 2HH2 ARG 15 2HH2 ARG 15 -11.088 -3.252 2.699
155 H TYR 16 H TYR 16 -6.800 -9.468 4.644
156 HA TYR 16 HA TYR 16 -5.679 -11.483 2.898
157 1HB TYR 16 2HB TYR 16 -4.848 -12.531 4.870
158 2HB TYR 16 1HB TYR 16 -4.633 -10.801 5.086
159 HD1 TYR 16 1HD TYR 16 -4.489 -12.650 7.349
160 HD2 TYR 16 2HD TYR 16 -7.876 -10.715 5.647
161 HE1 TYR 16 1HE TYR 16 -5.650 -12.788 9.512
162 HE2 TYR 16 2HE TYR 16 -9.043 -10.846 7.806
163 HH TYR 16 HH TYR 16 -7.874 -11.116 10.516
164 H ARG 17 H ARG 17 -8.198 -11.407 2.159
165 HA ARG 17 HA ARG 17 -9.454 -13.732 3.465
166 1HB ARG 17 2HB ARG 17 -11.629 -12.843 2.870
167 2HB ARG 17 1HB ARG 17 -10.736 -11.646 3.800
168 1HG ARG 17 2HG ARG 17 -10.327 -10.321 1.902
169 2HG ARG 17 1HG ARG 17 -10.809 -11.613 0.800
170 1HD ARG 17 2HD ARG 17 -13.088 -11.388 1.381
171 2HD ARG 17 1HD ARG 17 -12.710 -10.387 2.782
172 HE ARG 17 HE ARG 17 -13.099 -9.498 0.117
173 1HH1 ARG 17 1HH1 ARG 17 -11.196 -8.878 2.977
174 2HH1 ARG 17 2HH1 ARG 17 -10.945 -7.207 2.598
175 1HH2 ARG 17 1HH2 ARG 17 -12.771 -7.300 -0.380
176 2HH2 ARG 17 2HH2 ARG 17 -11.840 -6.310 0.694
Start of MODEL 13
1 1H LYS 1 1HT LYS 1 -0.558 2.762 -5.826
2 2H LYS 1 2HT LYS 1 -1.929 1.764 -5.579
3 3H LYS 1 3HT LYS 1 -1.010 2.308 -4.238
4 HA LYS 1 HA LYS 1 -1.776 4.405 -4.359
5 1HB LYS 1 2HB LYS 1 -2.578 3.711 -7.192
6 2HB LYS 1 1HB LYS 1 -2.953 5.240 -6.412
7 1HG LYS 1 2HG LYS 1 -1.046 5.975 -7.287
8 2HG LYS 1 1HG LYS 1 -0.241 5.018 -6.042
9 1HD LYS 1 2HD LYS 1 0.800 4.284 -7.977
10 2HD LYS 1 1HD LYS 1 -0.468 3.077 -7.755
11 1HE LYS 1 2HE LYS 1 -0.254 3.900 -10.092
12 2HE LYS 1 1HE LYS 1 -1.854 4.137 -9.392
13 1HZ LYS 1 1HZ LYS 1 -1.661 6.349 -9.514
14 2HZ LYS 1 2HZ LYS 1 -0.435 6.044 -10.638
15 3HZ LYS 1 3HZ LYS 1 -0.042 6.356 -9.023
16 H TRP 2 H TRP 2 -2.914 2.248 -3.125
17 HA TRP 2 HA TRP 2 -5.427 1.517 -3.894
18 1HB TRP 2 2HB TRP 2 -5.965 1.278 -1.395
19 2HB TRP 2 1HB TRP 2 -4.742 0.266 -2.124
20 HD1 TRP 2 HD TRP 2 -4.370 0.036 0.654
21 HE1 TRP 2 1HE TRP 2 -2.600 1.202 2.094
22 HE3 TRP 2 3HE TRP 2 -3.306 4.069 -2.367
23 HZ2 TRP 2 2HZ TRP 2 -0.985 3.478 1.997
24 HZ3 TRP 2 3HZ TRP 2 -1.619 5.664 -1.592
25 HH2 TRP 2 HH TRP 2 -0.492 5.387 0.545
26 H TYR 3 H TYR 3 -5.202 3.731 -1.156
27 HA TYR 3 HA TYR 3 -7.346 5.345 -2.336
28 1HB TYR 3 2HB TYR 3 -8.037 5.567 0.183
29 2HB TYR 3 1HB TYR 3 -8.462 4.114 -0.708
30 HD1 TYR 3 1HD TYR 3 -5.060 4.892 0.575
31 HD2 TYR 3 2HD TYR 3 -8.615 2.592 1.097
32 HE1 TYR 3 1HE TYR 3 -3.880 3.430 2.157
33 HE2 TYR 3 2HE TYR 3 -7.448 1.155 2.714
34 HH TYR 3 HH TYR 3 -5.502 1.255 4.206
35 H PHE 4 H PHE 4 -6.849 6.536 0.664
36 HA PHE 4 HA PHE 4 -5.835 8.957 -0.042
37 1HB PHE 4 2HB PHE 4 -4.898 8.935 2.421
38 2HB PHE 4 1HB PHE 4 -6.631 8.939 2.123
39 HD1 PHE 4 1HD PHE 4 -3.759 6.846 3.098
40 HD2 PHE 4 2HD PHE 4 -7.993 7.101 2.754
41 HE1 PHE 4 1HE PHE 4 -3.987 4.796 4.439
42 HE2 PHE 4 2HE PHE 4 -8.229 5.051 4.096
43 HZ PHE 4 HZ PHE 4 -6.224 3.897 4.939
44 H ARG 5 H ARG 5 -3.841 9.910 -0.159
45 HA ARG 5 HA ARG 5 -1.549 10.117 -0.233
46 1HB ARG 5 2HB ARG 5 -1.232 7.163 0.251
47 2HB ARG 5 1HB ARG 5 -0.082 8.454 0.567
48 1HG ARG 5 2HG ARG 5 -2.671 8.076 2.058
49 2HG ARG 5 1HG ARG 5 -1.099 7.498 2.607
50 1HD ARG 5 2HD ARG 5 -1.506 9.566 3.711
51 2HD ARG 5 1HD ARG 5 -0.284 9.867 2.478
52 HE ARG 5 HE ARG 5 -2.702 10.462 1.293
53 1HH1 ARG 5 1HH1 ARG 5 -0.916 11.581 4.076
54 2HH1 ARG 5 2HH1 ARG 5 -1.557 13.188 3.992
55 1HH2 ARG 5 1HH2 ARG 5 -3.540 12.570 1.182
56 2HH2 ARG 5 2HH2 ARG 5 -3.046 13.749 2.349
57 H VAL 6 H VAL 6 -2.861 7.113 -1.535
58 HA VAL 6 HA VAL 6 -2.332 6.004 -3.489
59 HB VAL 6 HB VAL 6 -4.222 6.939 -4.275
60 1HG1 VAL 6 1HG1 VAL 6 -4.377 8.773 -2.844
61 2HG1 VAL 6 2HG1 VAL 6 -4.573 9.427 -4.475
62 3HG1 VAL 6 3HG1 VAL 6 -3.033 9.609 -3.628
63 1HG2 VAL 6 1HG2 VAL 6 -3.948 7.584 -6.443
64 2HG2 VAL 6 2HG2 VAL 6 -2.304 7.039 -6.111
65 3HG2 VAL 6 3HG2 VAL 6 -2.693 8.758 -6.051
66 H TYR 7 H TYR 7 -0.013 6.157 -2.876
67 HA TYR 7 HA TYR 7 1.514 7.322 -5.076
68 1HB TYR 7 2HB TYR 7 3.222 8.135 -3.482
69 2HB TYR 7 1HB TYR 7 1.670 8.928 -3.260
70 HD1 TYR 7 1HD TYR 7 3.024 9.517 -1.071
71 HD2 TYR 7 2HD TYR 7 1.431 5.664 -1.930
72 HE1 TYR 7 1HE TYR 7 3.076 8.959 1.322
73 HE2 TYR 7 2HE TYR 7 1.476 5.098 0.451
74 HH TYR 7 HH TYR 7 1.539 6.156 2.595
75 H TYR 8 H TYR 8 0.624 4.589 -3.906
76 HA TYR 8 HA TYR 8 3.219 3.297 -4.259
77 1HB TYR 8 2HB TYR 8 3.092 3.545 -1.905
78 2HB TYR 8 1HB TYR 8 1.398 3.102 -1.871
79 HD1 TYR 8 1HD TYR 8 2.579 1.836 0.131
80 HD2 TYR 8 2HD TYR 8 2.976 0.765 -3.952
81 HE1 TYR 8 1HE TYR 8 3.133 -0.443 0.778
82 HE2 TYR 8 2HE TYR 8 3.451 -1.498 -3.327
83 HH TYR 8 HH TYR 8 4.540 -2.416 -0.444
84 H ARG 9 H ARG 9 0.984 1.062 -3.039
85 HA ARG 9 HA ARG 9 -0.918 0.407 -4.612
86 1HB ARG 9 2HB ARG 9 -0.012 -0.952 -6.549
87 2HB ARG 9 1HB ARG 9 0.038 0.794 -6.713
88 1HG ARG 9 2HG ARG 9 2.179 0.587 -7.238
89 2HG ARG 9 1HG ARG 9 2.479 0.132 -5.564
90 1HD ARG 9 2HD ARG 9 1.903 -2.237 -6.255
91 2HD ARG 9 1HD ARG 9 1.996 -1.666 -7.921
92 HE ARG 9 HE ARG 9 4.354 -0.873 -6.832
93 1HH1 ARG 9 1HH1 ARG 9 2.701 -3.940 -7.041
94 2HH1 ARG 9 2HH1 ARG 9 4.163 -4.868 -7.056
95 1HH2 ARG 9 1HH2 ARG 9 6.277 -2.093 -6.854
96 2HH2 ARG 9 2HH2 ARG 9 6.194 -3.820 -6.949
97 H GLY 10 H GLY 10 2.078 -1.445 -4.480
98 1HA GLY 10 2HA GLY 10 0.783 -3.856 -3.845
99 2HA GLY 10 1HA GLY 10 2.493 -3.522 -3.650
100 H ILE 11 H ILE 11 0.067 -1.631 -1.933
101 HA ILE 11 HA ILE 11 1.260 -2.366 0.573
102 HB ILE 11 HB ILE 11 -1.315 -0.867 0.462
103 1HG1 ILE 11 2HG1 ILE 11 0.820 0.982 0.269
104 2HG1 ILE 11 1HG1 ILE 11 0.913 -0.120 -1.101
105 1HG2 ILE 11 1HG2 ILE 11 0.160 -1.518 2.527
106 2HG2 ILE 11 2HG2 ILE 11 -0.657 0.043 2.446
107 3HG2 ILE 11 3HG2 ILE 11 1.058 -0.075 2.052
108 1HD1 ILE 11 1HD1 ILE 11 -1.783 0.741 -0.669
109 2HD1 ILE 11 2HD1 ILE 11 -0.757 0.895 -2.097
110 3HD1 ILE 11 3HD1 ILE 11 -0.690 2.116 -0.822
111 H TYR 12 H TYR 12 -1.875 -2.898 -1.000
112 HA TYR 12 HA TYR 12 -3.483 -4.479 -0.663
113 1HB TYR 12 2HB TYR 12 -1.092 -5.775 0.000
114 2HB TYR 12 1HB TYR 12 -2.168 -6.111 1.350
115 HD1 TYR 12 1HD TYR 12 -3.162 -5.684 -2.202
116 HD2 TYR 12 2HD TYR 12 -2.579 -8.403 1.018
117 HE1 TYR 12 1HE TYR 12 -4.243 -7.461 -3.513
118 HE2 TYR 12 2HE TYR 12 -3.658 -10.186 -0.283
119 HH TYR 12 HH TYR 12 -5.549 -9.717 -2.832
120 H TYR 13 H TYR 13 -2.692 -2.202 1.321
121 HA TYR 13 HA TYR 13 -3.222 -1.459 3.423
122 1HB TYR 13 2HB TYR 13 -5.847 -1.602 3.649
123 2HB TYR 13 1HB TYR 13 -5.086 -0.568 2.452
124 HD1 TYR 13 1HD TYR 13 -7.552 -2.988 2.986
125 HD2 TYR 13 2HD TYR 13 -4.697 -1.729 0.089
126 HE1 TYR 13 1HE TYR 13 -8.862 -4.091 1.226
127 HE2 TYR 13 2HE TYR 13 -5.998 -2.835 -1.680
128 HH TYR 13 HH TYR 13 -8.477 -5.035 -1.039
129 H ARG 14 H ARG 14 -5.812 -3.846 3.496
130 HA ARG 14 HA ARG 14 -4.682 -4.864 5.990
131 1HB ARG 14 2HB ARG 14 -7.462 -5.476 5.042
132 2HB ARG 14 1HB ARG 14 -6.840 -5.436 6.683
133 1HG ARG 14 2HG ARG 14 -6.678 -2.857 5.337
134 2HG ARG 14 1HG ARG 14 -8.323 -3.478 5.467
135 1HD ARG 14 2HD ARG 14 -7.193 -3.975 7.958
136 2HD ARG 14 1HD ARG 14 -6.584 -2.382 7.510
137 HE ARG 14 HE ARG 14 -8.694 -1.540 7.772
138 1HH1 ARG 14 1HH1 ARG 14 -8.884 -5.020 7.605
139 2HH1 ARG 14 2HH1 ARG 14 -10.565 -5.073 8.012
140 1HH2 ARG 14 1HH2 ARG 14 -10.910 -1.606 8.301
141 2HH2 ARG 14 2HH2 ARG 14 -11.718 -3.135 8.403
142 H ARG 15 H ARG 15 -6.872 -6.400 3.666
143 HA ARG 15 HA ARG 15 -6.969 -8.624 3.065
144 1HB ARG 15 2HB ARG 15 -4.457 -7.486 1.871
145 2HB ARG 15 1HB ARG 15 -5.083 -9.064 1.411
146 1HG ARG 15 2HG ARG 15 -6.668 -6.513 1.214
147 2HG ARG 15 1HG ARG 15 -5.711 -7.182 -0.109
148 1HD ARG 15 2HD ARG 15 -7.352 -9.253 0.948
149 2HD ARG 15 1HD ARG 15 -8.361 -7.835 0.671
150 HE ARG 15 HE ARG 15 -6.626 -8.489 -1.529
151 1HH1 ARG 15 1HH1 ARG 15 -9.742 -9.057 -0.061
152 2HH1 ARG 15 2HH1 ARG 15 -10.485 -9.560 -1.543
153 1HH2 ARG 15 1HH2 ARG 15 -7.605 -9.149 -3.477
154 2HH2 ARG 15 2HH2 ARG 15 -9.274 -9.613 -3.480
155 H TYR 16 H TYR 16 -3.457 -8.680 3.129
156 HA TYR 16 HA TYR 16 -2.074 -10.334 3.905
157 1HB TYR 16 2HB TYR 16 -1.548 -9.973 6.132
158 2HB TYR 16 1HB TYR 16 -2.402 -8.493 5.716
159 HD1 TYR 16 1HD TYR 16 -2.237 -11.275 7.942
160 HD2 TYR 16 2HD TYR 16 -4.891 -8.353 6.355
161 HE1 TYR 16 1HE TYR 16 -3.766 -11.645 9.831
162 HE2 TYR 16 2HE TYR 16 -6.426 -8.714 8.240
163 HH TYR 16 HH TYR 16 -5.562 -10.331 11.031
164 H ARG 17 H ARG 17 -4.549 -11.441 3.004
165 HA ARG 17 HA ARG 17 -5.746 -13.246 4.744
166 1HB ARG 17 2HB ARG 17 -5.225 -13.849 1.840
167 2HB ARG 17 1HB ARG 17 -6.583 -14.366 2.830
168 1HG ARG 17 2HG ARG 17 -7.749 -12.609 2.171
169 2HG ARG 17 1HG ARG 17 -6.524 -11.530 2.835
170 1HD ARG 17 2HD ARG 17 -6.219 -10.859 0.723
171 2HD ARG 17 1HD ARG 17 -5.357 -12.382 0.508
172 HE ARG 17 HE ARG 17 -8.189 -12.600 0.091
173 1HH1 ARG 17 1HH1 ARG 17 -5.138 -11.800 -1.403
174 2HH1 ARG 17 2HH1 ARG 17 -5.690 -12.153 -3.007
175 1HH2 ARG 17 1HH2 ARG 17 -8.915 -13.064 -2.016
176 2HH2 ARG 17 2HH2 ARG 17 -7.834 -12.870 -3.355
Start of MODEL 14
1 1H LYS 1 1HT LYS 1 -2.068 1.824 -6.320
2 2H LYS 1 2HT LYS 1 -1.741 1.237 -4.741
3 3H LYS 1 3HT LYS 1 -0.537 2.101 -5.604
4 HA LYS 1 HA LYS 1 -1.520 3.475 -3.941
5 1HB LYS 1 2HB LYS 1 -2.432 4.232 -6.726
6 2HB LYS 1 1HB LYS 1 -2.057 5.333 -5.411
7 1HG LYS 1 2HG LYS 1 -0.040 5.495 -6.334
8 2HG LYS 1 1HG LYS 1 0.264 3.893 -5.662
9 1HD LYS 1 2HD LYS 1 0.845 3.916 -8.012
10 2HD LYS 1 1HD LYS 1 -0.568 2.890 -7.760
11 1HE LYS 1 2HE LYS 1 -0.628 4.476 -9.750
12 2HE LYS 1 1HE LYS 1 -2.026 4.484 -8.676
13 1HZ LYS 1 1HZ LYS 1 -1.376 6.502 -7.732
14 2HZ LYS 1 2HZ LYS 1 -1.100 6.717 -9.386
15 3HZ LYS 1 3HZ LYS 1 0.198 6.406 -8.348
16 H TRP 2 H TRP 2 -3.184 2.330 -2.759
17 HA TRP 2 HA TRP 2 -5.705 1.919 -3.843
18 1HB TRP 2 2HB TRP 2 -6.518 1.763 -1.436
19 2HB TRP 2 1HB TRP 2 -5.376 0.581 -2.032
20 HD1 TRP 2 HD TRP 2 -5.313 0.280 0.743
21 HE1 TRP 2 1HE TRP 2 -3.600 1.227 2.400
22 HE3 TRP 2 3HE TRP 2 -3.459 4.173 -2.067
23 HZ2 TRP 2 2HZ TRP 2 -1.722 3.294 2.519
24 HZ3 TRP 2 3HZ TRP 2 -1.690 5.557 -1.081
25 HH2 TRP 2 HH TRP 2 -0.850 5.136 1.165
26 H TYR 3 H TYR 3 -5.468 4.079 -1.056
27 HA TYR 3 HA TYR 3 -7.176 5.981 -2.490
28 1HB TYR 3 2HB TYR 3 -8.252 6.245 -0.122
29 2HB TYR 3 1HB TYR 3 -8.680 4.873 -1.131
30 HD1 TYR 3 1HD TYR 3 -9.417 3.551 0.771
31 HD2 TYR 3 2HD TYR 3 -5.414 4.996 0.546
32 HE1 TYR 3 1HE TYR 3 -8.740 1.955 2.516
33 HE2 TYR 3 2HE TYR 3 -4.727 3.389 2.262
34 HH TYR 3 HH TYR 3 -7.027 1.580 4.111
35 H PHE 4 H PHE 4 -7.080 7.015 0.587
36 HA PHE 4 HA PHE 4 -6.314 9.350 0.776
37 1HB PHE 4 2HB PHE 4 -4.373 7.813 2.414
38 2HB PHE 4 1HB PHE 4 -5.444 9.128 2.869
39 HD1 PHE 4 1HD PHE 4 -8.064 8.394 2.534
40 HD2 PHE 4 2HD PHE 4 -4.789 5.828 3.432
41 HE1 PHE 4 1HE PHE 4 -9.614 6.773 3.548
42 HE2 PHE 4 2HE PHE 4 -6.330 4.200 4.440
43 HZ PHE 4 HZ PHE 4 -8.749 4.674 4.504
44 H ARG 5 H ARG 5 -3.389 7.328 0.853
45 HA ARG 5 HA ARG 5 -1.778 9.542 0.036
46 1HB ARG 5 2HB ARG 5 -0.770 6.729 0.073
47 2HB ARG 5 1HB ARG 5 0.067 8.215 0.495
48 1HG ARG 5 2HG ARG 5 -2.179 7.026 2.114
49 2HG ARG 5 1HG ARG 5 -0.463 6.755 2.432
50 1HD ARG 5 2HD ARG 5 -1.091 8.500 3.873
51 2HD ARG 5 1HD ARG 5 -0.229 9.278 2.551
52 HE ARG 5 HE ARG 5 -2.533 9.789 1.643
53 1HH1 ARG 5 1HH1 ARG 5 -1.952 9.386 5.074
54 2HH1 ARG 5 2HH1 ARG 5 -3.280 10.392 5.535
55 1HH2 ARG 5 1HH2 ARG 5 -4.270 11.111 2.264
56 2HH2 ARG 5 2HH2 ARG 5 -4.592 11.372 3.947
57 H VAL 6 H VAL 6 -3.061 6.710 -1.567
58 HA VAL 6 HA VAL 6 -2.753 5.936 -3.724
59 HB VAL 6 HB VAL 6 -4.593 7.348 -4.039
60 1HG1 VAL 6 1HG1 VAL 6 -3.837 9.209 -2.669
61 2HG1 VAL 6 2HG1 VAL 6 -4.472 9.783 -4.215
62 3HG1 VAL 6 3HG1 VAL 6 -2.729 9.715 -3.950
63 1HG2 VAL 6 1HG2 VAL 6 -4.440 7.540 -6.257
64 2HG2 VAL 6 2HG2 VAL 6 -2.750 7.069 -6.087
65 3HG2 VAL 6 3HG2 VAL 6 -3.188 8.776 -6.142
66 H TYR 7 H TYR 7 -0.347 5.765 -3.206
67 HA TYR 7 HA TYR 7 1.139 7.217 -5.265
68 1HB TYR 7 2HB TYR 7 2.908 7.862 -3.788
69 2HB TYR 7 1HB TYR 7 1.400 8.402 -3.057
70 HD1 TYR 7 1HD TYR 7 0.321 6.378 -1.519
71 HD2 TYR 7 2HD TYR 7 4.450 7.054 -2.287
72 HE1 TYR 7 1HE TYR 7 0.894 5.158 0.535
73 HE2 TYR 7 2HE TYR 7 5.036 5.842 -0.230
74 HH TYR 7 HH TYR 7 3.734 5.353 2.055
75 H TYR 8 H TYR 8 1.214 4.627 -2.834
76 HA TYR 8 HA TYR 8 3.145 3.167 -4.499
77 1HB TYR 8 2HB TYR 8 4.021 3.359 -2.321
78 2HB TYR 8 1HB TYR 8 2.460 3.031 -1.571
79 HD1 TYR 8 1HD TYR 8 1.584 0.747 -1.470
80 HD2 TYR 8 2HD TYR 8 5.439 1.571 -3.069
81 HE1 TYR 8 1HE TYR 8 2.156 -1.619 -1.304
82 HE2 TYR 8 2HE TYR 8 6.027 -0.812 -2.895
83 HH TYR 8 HH TYR 8 4.659 -2.914 -1.075
84 H ARG 9 H ARG 9 2.810 0.888 -4.866
85 HA ARG 9 HA ARG 9 -0.047 0.182 -4.875
86 1HB ARG 9 2HB ARG 9 0.568 -1.335 -6.790
87 2HB ARG 9 1HB ARG 9 0.693 0.387 -7.113
88 1HG ARG 9 2HG ARG 9 2.689 -0.146 -7.963
89 2HG ARG 9 1HG ARG 9 3.214 -0.163 -6.281
90 1HD ARG 9 2HD ARG 9 2.064 -2.690 -6.852
91 2HD ARG 9 1HD ARG 9 3.179 -2.299 -8.161
92 HE ARG 9 HE ARG 9 4.413 -1.758 -5.691
93 1HH1 ARG 9 1HH1 ARG 9 3.368 -4.455 -7.644
94 2HH1 ARG 9 2HH1 ARG 9 4.560 -5.537 -7.011
95 1HH2 ARG 9 1HH2 ARG 9 5.981 -3.179 -4.856
96 2HH2 ARG 9 2HH2 ARG 9 6.045 -4.814 -5.425
97 H GLY 10 H GLY 10 -0.399 -1.041 -3.133
98 1HA GLY 10 2HA GLY 10 0.021 -3.697 -3.002
99 2HA GLY 10 1HA GLY 10 1.462 -3.047 -2.228
100 H ILE 11 H ILE 11 1.304 -2.117 -0.239
101 HA ILE 11 HA ILE 11 0.542 -1.650 1.829
102 HB ILE 11 HB ILE 11 -2.030 -1.268 0.335
103 1HG1 ILE 11 2HG1 ILE 11 -0.662 1.075 1.406
104 2HG1 ILE 11 1HG1 ILE 11 0.317 0.186 0.244
105 1HG2 ILE 11 1HG2 ILE 11 -1.877 0.275 2.743
106 2HG2 ILE 11 2HG2 ILE 11 -1.668 -1.432 3.124
107 3HG2 ILE 11 3HG2 ILE 11 -3.100 -0.894 2.250
108 1HD1 ILE 11 1HD1 ILE 11 -1.314 2.102 -0.505
109 2HD1 ILE 11 2HD1 ILE 11 -2.505 0.801 -0.458
110 3HD1 ILE 11 3HD1 ILE 11 -1.082 0.658 -1.496
111 H TYR 12 H TYR 12 -1.715 -3.830 0.108
112 HA TYR 12 HA TYR 12 -2.566 -5.854 0.714
113 1HB TYR 12 2HB TYR 12 -0.220 -5.610 2.295
114 2HB TYR 12 1HB TYR 12 -1.488 -6.228 3.345
115 HD1 TYR 12 1HD TYR 12 1.158 -7.483 2.047
116 HD2 TYR 12 2HD TYR 12 -3.018 -7.846 1.327
117 HE1 TYR 12 1HE TYR 12 1.521 -9.732 1.123
118 HE2 TYR 12 2HE TYR 12 -2.666 -10.097 0.399
119 HH TYR 12 HH TYR 12 -0.726 -11.965 0.780
120 H TYR 13 H TYR 13 -4.011 -3.573 1.119
121 HA TYR 13 HA TYR 13 -5.011 -3.449 3.796
122 1HB TYR 13 2HB TYR 13 -6.324 -1.647 3.106
123 2HB TYR 13 1HB TYR 13 -4.897 -1.536 2.090
124 HD1 TYR 13 1HD TYR 13 -5.049 -2.398 -0.296
125 HD2 TYR 13 2HD TYR 13 -8.467 -1.815 2.171
126 HE1 TYR 13 1HE TYR 13 -6.481 -2.358 -2.296
127 HE2 TYR 13 2HE TYR 13 -9.905 -1.776 0.179
128 HH TYR 13 HH TYR 13 -8.920 -1.234 -2.791
129 H ARG 14 H ARG 14 -6.415 -4.553 0.699
130 HA ARG 14 HA ARG 14 -8.265 -6.205 2.287
131 1HB ARG 14 2HB ARG 14 -10.094 -5.675 0.961
132 2HB ARG 14 1HB ARG 14 -9.262 -4.135 1.102
133 1HG ARG 14 2HG ARG 14 -9.634 -4.100 -1.124
134 2HG ARG 14 1HG ARG 14 -8.123 -5.011 -1.146
135 1HD ARG 14 2HD ARG 14 -9.559 -6.236 -2.527
136 2HD ARG 14 1HD ARG 14 -9.593 -7.098 -0.989
137 HE ARG 14 HE ARG 14 -11.819 -6.638 -0.849
138 1HH1 ARG 14 1HH1 ARG 14 -10.368 -4.347 -3.047
139 2HH1 ARG 14 2HH1 ARG 14 -11.881 -3.631 -3.497
140 1HH2 ARG 14 1HH2 ARG 14 -13.807 -5.698 -1.439
141 2HH2 ARG 14 2HH2 ARG 14 -13.833 -4.397 -2.582
142 H ARG 15 H ARG 15 -6.112 -6.002 -0.416
143 HA ARG 15 HA ARG 15 -6.894 -8.164 -1.957
144 1HB ARG 15 2HB ARG 15 -4.502 -8.327 -2.628
145 2HB ARG 15 1HB ARG 15 -5.152 -6.694 -2.713
146 1HG ARG 15 2HG ARG 15 -4.151 -6.487 -0.309
147 2HG ARG 15 1HG ARG 15 -3.156 -7.846 -0.831
148 1HD ARG 15 2HD ARG 15 -1.923 -5.892 -1.326
149 2HD ARG 15 1HD ARG 15 -2.557 -6.480 -2.860
150 HE ARG 15 HE ARG 15 -3.400 -4.082 -1.418
151 1HH1 ARG 15 1HH1 ARG 15 -3.788 -6.183 -4.186
152 2HH1 ARG 15 2HH1 ARG 15 -4.648 -5.001 -5.111
153 1HH2 ARG 15 1HH2 ARG 15 -4.529 -2.536 -2.640
154 2HH2 ARG 15 2HH2 ARG 15 -5.072 -2.936 -4.235
155 H TYR 16 H TYR 16 -5.603 -8.170 1.227
156 HA TYR 16 HA TYR 16 -4.215 -10.493 1.488
157 1HB TYR 16 2HB TYR 16 -4.971 -10.594 3.784
158 2HB TYR 16 1HB TYR 16 -4.740 -8.909 3.330
159 HD1 TYR 16 1HD TYR 16 -6.521 -7.364 3.462
160 HD2 TYR 16 2HD TYR 16 -7.314 -11.525 3.848
161 HE1 TYR 16 1HE TYR 16 -8.820 -6.854 4.176
162 HE2 TYR 16 2HE TYR 16 -9.613 -11.028 4.563
163 HH TYR 16 HH TYR 16 -11.235 -8.710 4.060
164 H ARG 17 H ARG 17 -4.586 -12.636 1.445
165 HA ARG 17 HA ARG 17 -7.301 -13.669 1.496
166 1HB ARG 17 2HB ARG 17 -6.552 -15.102 -0.609
167 2HB ARG 17 1HB ARG 17 -7.347 -13.545 -0.788
168 1HG ARG 17 2HG ARG 17 -5.571 -13.477 -2.295
169 2HG ARG 17 1HG ARG 17 -4.999 -12.551 -0.907
170 1HD ARG 17 2HD ARG 17 -4.161 -15.029 -0.229
171 2HD ARG 17 1HD ARG 17 -4.069 -15.129 -1.987
172 HE ARG 17 HE ARG 17 -2.296 -13.732 -0.285
173 1HH1 ARG 17 1HH1 ARG 17 -3.887 -13.468 -3.380
174 2HH1 ARG 17 2HH1 ARG 17 -2.660 -12.458 -4.066
175 1HH2 ARG 17 1HH2 ARG 17 -0.682 -12.399 -1.185
176 2HH2 ARG 17 2HH2 ARG 17 -0.841 -11.848 -2.819
Start of MODEL 15
1 1H LYS 1 1HT LYS 1 -1.034 2.244 -2.204
2 2H LYS 1 2HT LYS 1 0.251 2.601 -3.276
3 3H LYS 1 3HT LYS 1 -0.847 1.333 -3.639
4 HA LYS 1 HA LYS 1 -1.368 4.207 -3.560
5 1HB LYS 1 2HB LYS 1 -0.506 2.386 -5.560
6 2HB LYS 1 1HB LYS 1 -2.153 2.848 -5.953
7 1HG LYS 1 2HG LYS 1 -0.654 5.167 -5.212
8 2HG LYS 1 1HG LYS 1 0.217 4.265 -6.450
9 1HD LYS 1 2HD LYS 1 -2.703 4.954 -6.684
10 2HD LYS 1 1HD LYS 1 -1.421 6.011 -7.279
11 1HE LYS 1 2HE LYS 1 -0.861 4.603 -8.985
12 2HE LYS 1 1HE LYS 1 -1.349 3.160 -8.098
13 1HZ LYS 1 1HZ LYS 1 -3.028 3.275 -9.597
14 2HZ LYS 1 2HZ LYS 1 -2.954 4.959 -9.748
15 3HZ LYS 1 3HZ LYS 1 -3.705 4.264 -8.401
16 H TRP 2 H TRP 2 -2.719 2.409 -1.787
17 HA TRP 2 HA TRP 2 -5.077 1.401 -2.820
18 1HB TRP 2 2HB TRP 2 -5.901 1.884 -0.323
19 2HB TRP 2 1HB TRP 2 -4.929 0.512 -0.796
20 HD1 TRP 2 HD TRP 2 -4.333 0.417 1.807
21 HE1 TRP 2 1HE TRP 2 -2.480 1.551 3.164
22 HE3 TRP 2 3HE TRP 2 -3.094 4.252 -1.410
23 HZ2 TRP 2 2HZ TRP 2 -0.714 3.692 2.926
24 HZ3 TRP 2 3HZ TRP 2 -1.293 5.765 -0.730
25 HH2 TRP 2 HH TRP 2 -0.135 5.503 1.386
26 H TYR 3 H TYR 3 -4.919 4.521 -0.964
27 HA TYR 3 HA TYR 3 -7.062 5.482 -2.623
28 1HB TYR 3 2HB TYR 3 -8.430 5.890 -0.516
29 2HB TYR 3 1HB TYR 3 -8.314 4.268 -1.153
30 HD1 TYR 3 1HD TYR 3 -9.254 4.772 1.574
31 HD2 TYR 3 2HD TYR 3 -5.289 4.195 0.163
32 HE1 TYR 3 1HE TYR 3 -8.597 3.856 3.759
33 HE2 TYR 3 2HE TYR 3 -4.621 3.263 2.299
34 HH TYR 3 HH TYR 3 -6.629 3.488 5.090
35 H PHE 4 H PHE 4 -7.298 6.956 0.356
36 HA PHE 4 HA PHE 4 -7.015 9.487 -0.444
37 1HB PHE 4 2HB PHE 4 -6.824 10.172 1.822
38 2HB PHE 4 1HB PHE 4 -7.937 8.811 1.707
39 HD1 PHE 4 1HD PHE 4 -6.231 6.475 1.798
40 HD2 PHE 4 2HD PHE 4 -5.843 10.179 3.860
41 HE1 PHE 4 1HE PHE 4 -4.967 5.344 3.586
42 HE2 PHE 4 2HE PHE 4 -4.583 9.055 5.647
43 HZ PHE 4 HZ PHE 4 -4.149 6.637 5.512
44 H ARG 5 H ARG 5 -4.237 7.542 -0.326
45 HA ARG 5 HA ARG 5 -2.678 9.921 -0.702
46 1HB ARG 5 2HB ARG 5 -1.043 8.671 1.111
47 2HB ARG 5 1HB ARG 5 -2.013 10.105 1.418
48 1HG ARG 5 2HG ARG 5 -3.268 9.018 2.885
49 2HG ARG 5 1HG ARG 5 -3.614 7.729 1.721
50 1HD ARG 5 2HD ARG 5 -0.971 7.321 2.489
51 2HD ARG 5 1HD ARG 5 -1.828 7.738 3.976
52 HE ARG 5 HE ARG 5 -2.970 5.716 2.177
53 1HH1 ARG 5 1HH1 ARG 5 -1.383 6.542 5.213
54 2HH1 ARG 5 2HH1 ARG 5 -1.852 5.082 6.013
55 1HH2 ARG 5 1HH2 ARG 5 -3.585 3.783 3.299
56 2HH2 ARG 5 2HH2 ARG 5 -3.096 3.525 4.931
57 H VAL 6 H VAL 6 -3.406 7.702 -2.257
58 HA VAL 6 HA VAL 6 -1.591 5.660 -2.414
59 HB VAL 6 HB VAL 6 -2.528 5.156 -4.476
60 1HG1 VAL 6 1HG1 VAL 6 -4.913 6.552 -3.694
61 2HG1 VAL 6 2HG1 VAL 6 -4.077 5.840 -2.298
62 3HG1 VAL 6 3HG1 VAL 6 -4.561 4.830 -3.671
63 1HG2 VAL 6 1HG2 VAL 6 -2.077 7.096 -5.748
64 2HG2 VAL 6 2HG2 VAL 6 -3.160 8.071 -4.749
65 3HG2 VAL 6 3HG2 VAL 6 -3.821 6.826 -5.813
66 H TYR 7 H TYR 7 0.447 5.557 -2.837
67 HA TYR 7 HA TYR 7 1.652 7.197 -4.895
68 1HB TYR 7 2HB TYR 7 3.565 7.627 -3.231
69 2HB TYR 7 1HB TYR 7 2.100 8.581 -3.071
70 HD1 TYR 7 1HD TYR 7 1.757 9.088 -0.848
71 HD2 TYR 7 2HD TYR 7 3.002 5.150 -1.878
72 HE1 TYR 7 1HE TYR 7 1.552 8.411 1.506
73 HE2 TYR 7 2HE TYR 7 2.789 4.461 0.470
74 HH TYR 7 HH TYR 7 1.666 5.131 2.492
75 H TYR 8 H TYR 8 1.033 4.227 -4.101
76 HA TYR 8 HA TYR 8 3.648 3.253 -4.964
77 1HB TYR 8 2HB TYR 8 4.025 2.845 -2.743
78 2HB TYR 8 1HB TYR 8 2.311 2.657 -2.382
79 HD1 TYR 8 1HD TYR 8 5.188 0.915 -4.012
80 HD2 TYR 8 2HD TYR 8 1.386 0.567 -2.151
81 HE1 TYR 8 1HE TYR 8 5.387 -1.539 -4.063
82 HE2 TYR 8 2HE TYR 8 1.553 -1.848 -2.221
83 HH TYR 8 HH TYR 8 3.483 -3.571 -2.273
84 H ARG 9 H ARG 9 1.112 1.083 -3.750
85 HA ARG 9 HA ARG 9 -0.510 0.561 -5.776
86 1HB ARG 9 2HB ARG 9 0.676 -1.277 -7.098
87 2HB ARG 9 1HB ARG 9 1.074 0.391 -7.477
88 1HG ARG 9 2HG ARG 9 3.201 -0.215 -7.258
89 2HG ARG 9 1HG ARG 9 2.901 -0.267 -5.520
90 1HD ARG 9 2HD ARG 9 3.956 -2.329 -6.408
91 2HD ARG 9 1HD ARG 9 2.407 -2.612 -5.614
92 HE ARG 9 HE ARG 9 2.169 -2.251 -8.446
93 1HH1 ARG 9 1HH1 ARG 9 2.856 -4.566 -5.928
94 2HH1 ARG 9 2HH1 ARG 9 2.379 -5.931 -6.879
95 1HH2 ARG 9 1HH2 ARG 9 1.540 -4.046 -9.700
96 2HH2 ARG 9 2HH2 ARG 9 1.633 -5.637 -9.021
97 H GLY 10 H GLY 10 -0.315 -0.114 -2.959
98 1HA GLY 10 2HA GLY 10 -1.787 -2.394 -2.850
99 2HA GLY 10 1HA GLY 10 -0.134 -2.989 -2.826
100 H ILE 11 H ILE 11 1.114 -2.653 -1.027
101 HA ILE 11 HA ILE 11 1.701 -2.310 1.115
102 HB ILE 11 HB ILE 11 -0.732 -0.740 1.596
103 1HG1 ILE 11 2HG1 ILE 11 1.352 1.010 0.689
104 2HG1 ILE 11 1HG1 ILE 11 0.900 -0.131 -0.571
105 1HG2 ILE 11 1HG2 ILE 11 1.295 -1.310 3.199
106 2HG2 ILE 11 2HG2 ILE 11 0.409 0.210 3.318
107 3HG2 ILE 11 3HG2 ILE 11 1.946 0.149 2.456
108 1HD1 ILE 11 1HD1 ILE 11 -1.028 0.909 -0.949
109 2HD1 ILE 11 2HD1 ILE 11 -0.391 2.226 0.038
110 3HD1 ILE 11 3HD1 ILE 11 -1.416 0.989 0.770
111 H TYR 12 H TYR 12 -1.864 -2.223 1.073
112 HA TYR 12 HA TYR 12 -3.431 -3.400 2.219
113 1HB TYR 12 2HB TYR 12 -1.769 -5.265 0.962
114 2HB TYR 12 1HB TYR 12 -1.942 -5.863 2.608
115 HD1 TYR 12 1HD TYR 12 -3.201 -6.305 -0.502
116 HD2 TYR 12 2HD TYR 12 -4.593 -5.424 3.423
117 HE1 TYR 12 1HE TYR 12 -5.406 -7.228 -1.081
118 HE2 TYR 12 2HE TYR 12 -6.797 -6.345 2.853
119 HH TYR 12 HH TYR 12 -8.157 -6.815 0.920
120 H TYR 13 H TYR 13 -1.400 -1.884 3.658
121 HA TYR 13 HA TYR 13 -0.725 -3.367 5.992
122 1HB TYR 13 2HB TYR 13 0.699 -1.692 6.394
123 2HB TYR 13 1HB TYR 13 0.218 -1.060 4.830
124 HD1 TYR 13 1HD TYR 13 -0.666 1.088 4.680
125 HD2 TYR 13 2HD TYR 13 -0.689 -0.904 8.442
126 HE1 TYR 13 1HE TYR 13 -1.429 3.156 5.768
127 HE2 TYR 13 2HE TYR 13 -1.464 1.157 9.536
128 HH TYR 13 HH TYR 13 -2.486 3.932 7.724
129 H ARG 14 H ARG 14 -3.251 -1.093 5.113
130 HA ARG 14 HA ARG 14 -4.657 -1.820 7.579
131 1HB ARG 14 2HB ARG 14 -5.335 0.448 8.004
132 2HB ARG 14 1HB ARG 14 -3.582 0.398 7.891
133 1HG ARG 14 2HG ARG 14 -3.562 1.478 5.828
134 2HG ARG 14 1HG ARG 14 -5.263 1.124 5.522
135 1HD ARG 14 2HD ARG 14 -4.225 2.973 7.667
136 2HD ARG 14 1HD ARG 14 -4.874 3.487 6.110
137 HE ARG 14 HE ARG 14 -6.862 1.972 7.177
138 1HH1 ARG 14 1HH1 ARG 14 -5.047 4.731 8.303
139 2HH1 ARG 14 2HH1 ARG 14 -6.340 5.342 9.277
140 1HH2 ARG 14 1HH2 ARG 14 -8.566 2.775 8.456
141 2HH2 ARG 14 2HH2 ARG 14 -8.338 4.232 9.365
142 H ARG 15 H ARG 15 -4.828 -2.475 4.625
143 HA ARG 15 HA ARG 15 -7.138 -1.285 3.544
144 1HB ARG 15 2HB ARG 15 -5.295 -3.320 2.800
145 2HB ARG 15 1HB ARG 15 -6.914 -3.981 2.629
146 1HG ARG 15 2HG ARG 15 -7.472 -2.555 0.946
147 2HG ARG 15 1HG ARG 15 -6.400 -1.278 1.523
148 1HD ARG 15 2HD ARG 15 -4.810 -1.927 0.115
149 2HD ARG 15 1HD ARG 15 -4.842 -3.558 0.780
150 HE ARG 15 HE ARG 15 -5.927 -4.218 -1.104
151 1HH1 ARG 15 1HH1 ARG 15 -6.505 -0.804 -0.667
152 2HH1 ARG 15 2HH1 ARG 15 -7.399 -0.639 -2.142
153 1HH2 ARG 15 1HH2 ARG 15 -7.102 -4.002 -3.043
154 2HH2 ARG 15 2HH2 ARG 15 -7.738 -2.455 -3.490
155 H TYR 16 H TYR 16 -6.795 -4.565 4.904
156 HA TYR 16 HA TYR 16 -8.272 -5.941 5.943
157 1HB TYR 16 2HB TYR 16 -8.364 -3.493 7.255
158 2HB TYR 16 1HB TYR 16 -10.059 -3.888 6.993
159 HD1 TYR 16 1HD TYR 16 -9.832 -6.897 7.196
160 HD2 TYR 16 2HD TYR 16 -8.209 -3.777 9.589
161 HE1 TYR 16 1HE TYR 16 -9.776 -8.416 9.127
162 HE2 TYR 16 2HE TYR 16 -8.147 -5.288 11.528
163 HH TYR 16 HH TYR 16 -9.810 -7.885 11.888
164 H ARG 17 H ARG 17 -11.073 -5.517 6.482
165 HA ARG 17 HA ARG 17 -12.259 -6.557 4.235
166 1HB ARG 17 2HB ARG 17 -13.768 -4.730 6.092
167 2HB ARG 17 1HB ARG 17 -14.354 -6.153 5.245
168 1HG ARG 17 2HG ARG 17 -13.980 -7.337 7.072
169 2HG ARG 17 1HG ARG 17 -12.253 -7.047 6.866
170 1HD ARG 17 2HD ARG 17 -14.223 -5.476 8.510
171 2HD ARG 17 1HD ARG 17 -12.798 -6.351 9.061
172 HE ARG 17 HE ARG 17 -11.433 -4.624 8.224
173 1HH1 ARG 17 1HH1 ARG 17 -14.836 -3.931 7.813
174 2HH1 ARG 17 2HH1 ARG 17 -14.584 -2.235 7.583
175 1HH2 ARG 17 1HH2 ARG 17 -11.112 -2.396 7.918
176 2HH2 ARG 17 2HH2 ARG 17 -12.475 -1.365 7.640
Start of MODEL 16
1 1H LYS 1 1HT LYS 1 -1.855 0.194 -3.628
2 2H LYS 1 2HT LYS 1 -2.223 1.204 -2.290
3 3H LYS 1 3HT LYS 1 -0.739 1.396 -3.132
4 HA LYS 1 HA LYS 1 -1.992 3.097 -3.920
5 1HB LYS 1 2HB LYS 1 -0.997 1.768 -5.720
6 2HB LYS 1 1HB LYS 1 -2.396 0.711 -5.743
7 1HG LYS 1 2HG LYS 1 -3.538 3.145 -6.173
8 2HG LYS 1 1HG LYS 1 -1.982 3.326 -6.983
9 1HD LYS 1 2HD LYS 1 -2.716 0.858 -7.826
10 2HD LYS 1 1HD LYS 1 -4.291 1.639 -7.672
11 1HE LYS 1 2HE LYS 1 -1.957 2.436 -9.386
12 2HE LYS 1 1HE LYS 1 -3.608 2.062 -9.880
13 1HZ LYS 1 1HZ LYS 1 -3.682 4.315 -9.954
14 2HZ LYS 1 2HZ LYS 1 -2.518 4.525 -8.746
15 3HZ LYS 1 3HZ LYS 1 -4.105 4.114 -8.328
16 H TRP 2 H TRP 2 -3.759 2.756 -2.025
17 HA TRP 2 HA TRP 2 -6.213 1.999 -3.382
18 1HB TRP 2 2HB TRP 2 -7.301 1.948 -1.105
19 2HB TRP 2 1HB TRP 2 -6.199 0.666 -1.545
20 HD1 TRP 2 HD TRP 2 -6.053 0.077 1.021
21 HE1 TRP 2 1HE TRP 2 -4.684 1.062 2.954
22 HE3 TRP 2 3HE TRP 2 -4.641 4.526 -1.112
23 HZ2 TRP 2 2HZ TRP 2 -3.225 3.366 3.519
24 HZ3 TRP 2 3HZ TRP 2 -3.276 6.056 0.228
25 HH2 TRP 2 HH TRP 2 -2.588 5.480 2.495
26 H TYR 3 H TYR 3 -6.610 4.023 -0.585
27 HA TYR 3 HA TYR 3 -8.067 5.846 -2.281
28 1HB TYR 3 2HB TYR 3 -8.547 6.776 0.241
29 2HB TYR 3 1HB TYR 3 -9.504 5.584 -0.620
30 HD1 TYR 3 1HD TYR 3 -6.212 5.372 1.212
31 HD2 TYR 3 2HD TYR 3 -10.227 3.970 0.818
32 HE1 TYR 3 1HE TYR 3 -5.814 3.696 2.971
33 HE2 TYR 3 2HE TYR 3 -9.829 2.310 2.584
34 HH TYR 3 HH TYR 3 -7.241 2.419 4.661
35 H PHE 4 H PHE 4 -6.856 7.197 0.684
36 HA PHE 4 HA PHE 4 -6.365 9.637 -0.429
37 1HB PHE 4 2HB PHE 4 -5.229 10.264 1.682
38 2HB PHE 4 1HB PHE 4 -6.798 9.506 1.883
39 HD1 PHE 4 1HD PHE 4 -6.726 6.914 2.375
40 HD2 PHE 4 2HD PHE 4 -3.479 9.593 2.982
41 HE1 PHE 4 1HE PHE 4 -5.741 5.344 3.999
42 HE2 PHE 4 2HE PHE 4 -2.492 8.030 4.606
43 HZ PHE 4 HZ PHE 4 -3.623 5.905 5.115
44 H ARG 5 H ARG 5 -3.557 7.795 0.853
45 HA ARG 5 HA ARG 5 -1.787 9.485 -0.660
46 1HB ARG 5 2HB ARG 5 -0.425 7.126 0.218
47 2HB ARG 5 1HB ARG 5 -0.231 8.782 0.760
48 1HG ARG 5 2HG ARG 5 -1.619 8.499 2.564
49 2HG ARG 5 1HG ARG 5 -2.485 7.141 1.830
50 1HD ARG 5 2HD ARG 5 0.371 7.095 2.791
51 2HD ARG 5 1HD ARG 5 -1.013 6.424 3.657
52 HE ARG 5 HE ARG 5 -0.730 5.400 0.986
53 1HH1 ARG 5 1HH1 ARG 5 0.256 5.021 4.320
54 2HH1 ARG 5 2HH1 ARG 5 0.659 3.347 4.141
55 1HH2 ARG 5 1HH2 ARG 5 -0.183 3.216 0.753
56 2HH2 ARG 5 2HH2 ARG 5 0.408 2.319 2.112
57 H VAL 6 H VAL 6 -1.785 5.952 -0.634
58 HA VAL 6 HA VAL 6 -1.384 4.458 -2.282
59 HB VAL 6 HB VAL 6 -3.483 4.408 -3.023
60 1HG1 VAL 6 1HG1 VAL 6 -3.969 6.558 -1.940
61 2HG1 VAL 6 2HG1 VAL 6 -4.949 6.223 -3.370
62 3HG1 VAL 6 3HG1 VAL 6 -3.607 7.360 -3.471
63 1HG2 VAL 6 1HG2 VAL 6 -2.160 4.448 -5.152
64 2HG2 VAL 6 2HG2 VAL 6 -2.601 6.146 -5.314
65 3HG2 VAL 6 3HG2 VAL 6 -3.854 4.906 -5.322
66 H TYR 7 H TYR 7 0.412 6.730 -2.067
67 HA TYR 7 HA TYR 7 1.317 7.913 -4.343
68 1HB TYR 7 2HB TYR 7 3.676 7.000 -3.154
69 2HB TYR 7 1HB TYR 7 2.857 8.518 -2.818
70 HD1 TYR 7 1HD TYR 7 2.842 8.960 -0.558
71 HD2 TYR 7 2HD TYR 7 2.189 4.955 -1.834
72 HE1 TYR 7 1HE TYR 7 2.542 8.264 1.780
73 HE2 TYR 7 2HE TYR 7 1.852 4.248 0.492
74 HH TYR 7 HH TYR 7 2.442 4.968 2.719
75 H TYR 8 H TYR 8 1.932 4.623 -3.271
76 HA TYR 8 HA TYR 8 2.675 3.899 -5.969
77 1HB TYR 8 2HB TYR 8 4.519 2.752 -5.314
78 2HB TYR 8 1HB TYR 8 4.447 3.982 -4.053
79 HD1 TYR 8 1HD TYR 8 5.482 0.937 -4.218
80 HD2 TYR 8 2HD TYR 8 2.242 3.012 -2.519
81 HE1 TYR 8 1HE TYR 8 5.323 -0.803 -2.495
82 HE2 TYR 8 2HE TYR 8 2.046 1.307 -0.728
83 HH TYR 8 HH TYR 8 4.486 -0.986 -0.152
84 H ARG 9 H ARG 9 2.839 1.011 -5.198
85 HA ARG 9 HA ARG 9 -0.058 0.555 -4.812
86 1HB ARG 9 2HB ARG 9 0.125 -1.261 -6.475
87 2HB ARG 9 1HB ARG 9 0.547 0.309 -7.155
88 1HG ARG 9 2HG ARG 9 2.623 -0.342 -7.639
89 2HG ARG 9 1HG ARG 9 2.859 -1.064 -6.041
90 1HD ARG 9 2HD ARG 9 1.505 -2.316 -8.435
91 2HD ARG 9 1HD ARG 9 3.054 -2.776 -7.728
92 HE ARG 9 HE ARG 9 0.939 -2.950 -5.831
93 1HH1 ARG 9 1HH1 ARG 9 2.394 -4.605 -8.537
94 2HH1 ARG 9 2HH1 ARG 9 1.865 -6.171 -8.024
95 1HH2 ARG 9 1HH2 ARG 9 0.241 -5.008 -5.155
96 2HH2 ARG 9 2HH2 ARG 9 0.641 -6.401 -6.104
97 H GLY 10 H GLY 10 3.183 -0.748 -4.236
98 1HA GLY 10 2HA GLY 10 2.773 -3.299 -3.441
99 2HA GLY 10 1HA GLY 10 3.862 -2.231 -2.578
100 H ILE 11 H ILE 11 1.404 -0.558 -1.903
101 HA ILE 11 HA ILE 11 0.951 -0.763 0.584
102 HB ILE 11 HB ILE 11 -0.557 0.140 -1.534
103 1HG1 ILE 11 2HG1 ILE 11 -0.875 0.419 1.419
104 2HG1 ILE 11 1HG1 ILE 11 0.022 1.451 0.306
105 1HG2 ILE 11 1HG2 ILE 11 -2.363 -1.445 0.228
106 2HG2 ILE 11 2HG2 ILE 11 -2.003 -1.784 -1.464
107 3HG2 ILE 11 3HG2 ILE 11 -2.856 -0.308 -1.022
108 1HD1 ILE 11 1HD1 ILE 11 -2.790 1.183 -0.398
109 2HD1 ILE 11 2HD1 ILE 11 -1.782 2.635 -0.214
110 3HD1 ILE 11 3HD1 ILE 11 -2.526 1.886 1.202
111 H TYR 12 H TYR 12 -0.113 -1.782 2.140
112 HA TYR 12 HA TYR 12 -0.663 -4.612 1.816
113 1HB TYR 12 2HB TYR 12 0.214 -2.856 3.899
114 2HB TYR 12 1HB TYR 12 -1.301 -3.563 4.416
115 HD1 TYR 12 1HD TYR 12 -0.130 -4.619 6.279
116 HD2 TYR 12 2HD TYR 12 0.883 -5.547 2.251
117 HE1 TYR 12 1HE TYR 12 1.018 -6.639 7.053
118 HE2 TYR 12 2HE TYR 12 2.052 -7.573 3.013
119 HH TYR 12 HH TYR 12 1.630 -8.963 5.907
120 H TYR 13 H TYR 13 -2.163 -1.547 2.147
121 HA TYR 13 HA TYR 13 -4.195 -0.703 2.154
122 1HB TYR 13 2HB TYR 13 -5.900 -1.880 0.668
123 2HB TYR 13 1HB TYR 13 -4.403 -1.319 -0.059
124 HD1 TYR 13 1HD TYR 13 -2.611 -2.985 -0.550
125 HD2 TYR 13 2HD TYR 13 -6.527 -4.118 0.587
126 HE1 TYR 13 1HE TYR 13 -2.209 -5.243 -1.466
127 HE2 TYR 13 2HE TYR 13 -6.161 -6.375 -0.299
128 HH TYR 13 HH TYR 13 -3.472 -7.149 -2.279
129 H ARG 14 H ARG 14 -5.140 -4.194 2.349
130 HA ARG 14 HA ARG 14 -6.904 -3.424 4.569
131 1HB ARG 14 2HB ARG 14 -7.984 -5.711 4.070
132 2HB ARG 14 1HB ARG 14 -8.274 -4.388 2.956
133 1HG ARG 14 2HG ARG 14 -7.451 -5.540 1.260
134 2HG ARG 14 1HG ARG 14 -5.967 -5.909 2.139
135 1HD ARG 14 2HD ARG 14 -8.190 -7.440 3.166
136 2HD ARG 14 1HD ARG 14 -8.022 -7.675 1.429
137 HE ARG 14 HE ARG 14 -6.124 -8.451 3.496
138 1HH1 ARG 14 1HH1 ARG 14 -6.825 -8.162 0.083
139 2HH1 ARG 14 2HH1 ARG 14 -5.564 -9.249 -0.389
140 1HH2 ARG 14 1HH2 ARG 14 -4.471 -9.876 2.869
141 2HH2 ARG 14 2HH2 ARG 14 -4.230 -10.222 1.189
142 H ARG 15 H ARG 15 -5.590 -6.603 3.771
143 HA ARG 15 HA ARG 15 -4.991 -8.255 5.310
144 1HB ARG 15 2HB ARG 15 -2.537 -7.542 5.969
145 2HB ARG 15 1HB ARG 15 -2.973 -7.867 4.301
146 1HG ARG 15 2HG ARG 15 -1.667 -5.864 4.395
147 2HG ARG 15 1HG ARG 15 -3.313 -5.465 3.934
148 1HD ARG 15 2HD ARG 15 -3.504 -5.165 6.592
149 2HD ARG 15 1HD ARG 15 -1.817 -4.762 6.381
150 HE ARG 15 HE ARG 15 -3.484 -3.394 4.525
151 1HH1 ARG 15 1HH1 ARG 15 -2.371 -3.364 7.831
152 2HH1 ARG 15 2HH1 ARG 15 -2.583 -1.656 8.019
153 1HH2 ARG 15 1HH2 ARG 15 -3.765 -1.147 4.768
154 2HH2 ARG 15 2HH2 ARG 15 -3.374 -0.396 6.280
155 H TYR 16 H TYR 16 -2.844 -6.855 7.341
156 HA TYR 16 HA TYR 16 -2.786 -6.235 9.507
157 1HB TYR 16 2HB TYR 16 -5.192 -5.037 8.513
158 2HB TYR 16 1HB TYR 16 -5.513 -5.653 10.132
159 HD1 TYR 16 1HD TYR 16 -2.760 -5.235 11.313
160 HD2 TYR 16 2HD TYR 16 -5.211 -2.722 8.908
161 HE1 TYR 16 1HE TYR 16 -1.669 -3.254 12.279
162 HE2 TYR 16 2HE TYR 16 -4.126 -0.736 9.867
163 HH TYR 16 HH TYR 16 -2.110 -0.097 10.990
164 H ARG 17 H ARG 17 -6.085 -7.573 9.245
165 HA ARG 17 HA ARG 17 -5.230 -9.826 10.927
166 1HB ARG 17 2HB ARG 17 -7.457 -9.660 12.095
167 2HB ARG 17 1HB ARG 17 -6.321 -8.369 12.463
168 1HG ARG 17 2HG ARG 17 -8.056 -7.742 10.213
169 2HG ARG 17 1HG ARG 17 -8.941 -8.057 11.707
170 1HD ARG 17 2HD ARG 17 -7.931 -6.298 12.829
171 2HD ARG 17 1HD ARG 17 -6.557 -6.254 11.727
172 HE ARG 17 HE ARG 17 -8.624 -5.566 10.136
173 1HH1 ARG 17 1HH1 ARG 17 -7.520 -4.390 13.232
174 2HH1 ARG 17 2HH1 ARG 17 -8.101 -2.780 12.967
175 1HH2 ARG 17 1HH2 ARG 17 -9.386 -3.448 9.786
176 2HH2 ARG 17 2HH2 ARG 17 -9.160 -2.246 11.011
Start of MODEL 17
1 1H LYS 1 1HT LYS 1 -1.206 1.864 -3.678
2 2H LYS 1 2HT LYS 1 -1.142 3.349 -2.821
3 3H LYS 1 3HT LYS 1 -0.116 3.089 -4.169
4 HA LYS 1 HA LYS 1 -1.940 4.519 -4.692
5 1HB LYS 1 2HB LYS 1 -0.819 2.902 -6.293
6 2HB LYS 1 1HB LYS 1 -2.200 1.841 -6.050
7 1HG LYS 1 2HG LYS 1 -3.267 2.915 -7.660
8 2HG LYS 1 1HG LYS 1 -3.252 4.372 -6.664
9 1HD LYS 1 2HD LYS 1 -2.033 5.297 -8.293
10 2HD LYS 1 1HD LYS 1 -0.702 4.297 -7.713
11 1HE LYS 1 2HE LYS 1 -2.136 2.579 -9.325
12 2HE LYS 1 1HE LYS 1 -2.242 4.118 -10.178
13 1HZ LYS 1 1HZ LYS 1 0.272 2.818 -9.277
14 2HZ LYS 1 2HZ LYS 1 0.164 4.285 -10.111
15 3HZ LYS 1 3HZ LYS 1 -0.306 2.847 -10.867
16 H TRP 2 H TRP 2 -2.780 2.190 -2.528
17 HA TRP 2 HA TRP 2 -5.341 1.485 -3.224
18 1HB TRP 2 2HB TRP 2 -5.809 1.185 -0.793
19 2HB TRP 2 1HB TRP 2 -4.437 0.313 -1.435
20 HD1 TRP 2 HD TRP 2 -4.523 0.385 1.493
21 HE1 TRP 2 1HE TRP 2 -2.894 1.700 2.969
22 HE3 TRP 2 3HE TRP 2 -2.957 3.948 -1.886
23 HZ2 TRP 2 2HZ TRP 2 -1.189 3.901 2.767
24 HZ3 TRP 2 3HZ TRP 2 -1.308 5.595 -1.130
25 HH2 TRP 2 HH TRP 2 -0.451 5.581 1.147
26 H TYR 3 H TYR 3 -5.003 3.887 -0.585
27 HA TYR 3 HA TYR 3 -7.097 5.424 -1.934
28 1HB TYR 3 2HB TYR 3 -7.873 5.862 0.534
29 2HB TYR 3 1HB TYR 3 -8.367 4.407 -0.319
30 HD1 TYR 3 1HD TYR 3 -8.686 2.887 1.442
31 HD2 TYR 3 2HD TYR 3 -5.073 5.118 1.220
32 HE1 TYR 3 1HE TYR 3 -7.721 1.484 3.216
33 HE2 TYR 3 2HE TYR 3 -4.082 3.697 2.976
34 HH TYR 3 HH TYR 3 -5.254 0.816 3.897
35 H PHE 4 H PHE 4 -7.526 7.454 -0.534
36 HA PHE 4 HA PHE 4 -6.732 9.607 -0.668
37 1HB PHE 4 2HB PHE 4 -6.372 10.280 1.535
38 2HB PHE 4 1HB PHE 4 -7.325 8.812 1.623
39 HD1 PHE 4 1HD PHE 4 -4.766 10.536 3.126
40 HD2 PHE 4 2HD PHE 4 -5.793 6.626 1.832
41 HE1 PHE 4 1HE PHE 4 -3.232 9.588 4.802
42 HE2 PHE 4 2HE PHE 4 -4.250 5.660 3.492
43 HZ PHE 4 HZ PHE 4 -2.971 7.144 4.987
44 H ARG 5 H ARG 5 -3.821 7.914 0.673
45 HA ARG 5 HA ARG 5 -2.153 9.981 -0.397
46 1HB ARG 5 2HB ARG 5 -1.241 7.265 0.528
47 2HB ARG 5 1HB ARG 5 -0.302 8.752 0.456
48 1HG ARG 5 2HG ARG 5 -2.683 8.328 2.224
49 2HG ARG 5 1HG ARG 5 -1.009 8.128 2.740
50 1HD ARG 5 2HD ARG 5 -1.593 10.297 3.422
51 2HD ARG 5 1HD ARG 5 -0.651 10.523 1.950
52 HE ARG 5 HE ARG 5 -3.176 10.491 1.010
53 1HH1 ARG 5 1HH1 ARG 5 -1.678 12.247 3.632
54 2HH1 ARG 5 2HH1 ARG 5 -2.744 13.603 3.494
55 1HH2 ARG 5 1HH2 ARG 5 -4.576 12.274 0.832
56 2HH2 ARG 5 2HH2 ARG 5 -4.387 13.619 1.907
57 H VAL 6 H VAL 6 -2.934 6.688 -1.353
58 HA VAL 6 HA VAL 6 -2.279 5.469 -3.200
59 HB VAL 6 HB VAL 6 -4.228 6.392 -4.064
60 1HG1 VAL 6 1HG1 VAL 6 -2.813 9.041 -4.309
61 2HG1 VAL 6 2HG1 VAL 6 -3.982 8.599 -3.063
62 3HG1 VAL 6 3HG1 VAL 6 -4.492 8.724 -4.752
63 1HG2 VAL 6 1HG2 VAL 6 -2.751 7.624 -6.260
64 2HG2 VAL 6 2HG2 VAL 6 -3.825 6.226 -6.260
65 3HG2 VAL 6 3HG2 VAL 6 -2.132 6.035 -5.809
66 H TYR 7 H TYR 7 0.082 5.796 -2.523
67 HA TYR 7 HA TYR 7 1.507 7.130 -4.714
68 1HB TYR 7 2HB TYR 7 3.310 7.633 -2.995
69 2HB TYR 7 1HB TYR 7 1.833 8.578 -2.901
70 HD1 TYR 7 1HD TYR 7 2.025 5.109 -1.648
71 HD2 TYR 7 2HD TYR 7 2.148 9.234 -0.620
72 HE1 TYR 7 1HE TYR 7 1.786 4.512 0.715
73 HE2 TYR 7 2HE TYR 7 1.910 8.648 1.755
74 HH TYR 7 HH TYR 7 2.499 5.777 3.011
75 H TYR 8 H TYR 8 0.933 4.196 -3.281
76 HA TYR 8 HA TYR 8 3.639 3.217 -3.880
77 1HB TYR 8 2HB TYR 8 3.316 2.490 -1.732
78 2HB TYR 8 1HB TYR 8 1.569 2.379 -1.912
79 HD1 TYR 8 1HD TYR 8 0.535 0.341 -2.386
80 HD2 TYR 8 2HD TYR 8 4.757 0.661 -2.760
81 HE1 TYR 8 1HE TYR 8 0.667 -2.051 -2.762
82 HE2 TYR 8 2HE TYR 8 4.910 -1.771 -3.106
83 HH TYR 8 HH TYR 8 2.238 -3.873 -2.586
84 H ARG 9 H ARG 9 0.639 1.327 -3.808
85 HA ARG 9 HA ARG 9 -0.208 1.020 -6.272
86 1HB ARG 9 2HB ARG 9 1.159 -0.883 -7.269
87 2HB ARG 9 1HB ARG 9 1.850 0.729 -7.358
88 1HG ARG 9 2HG ARG 9 3.689 -0.072 -6.421
89 2HG ARG 9 1HG ARG 9 2.765 -0.342 -4.943
90 1HD ARG 9 2HD ARG 9 4.034 -2.331 -5.929
91 2HD ARG 9 1HD ARG 9 2.350 -2.581 -5.470
92 HE ARG 9 HE ARG 9 1.886 -3.040 -7.652
93 1HH1 ARG 9 1HH1 ARG 9 4.870 -1.235 -7.535
94 2HH1 ARG 9 2HH1 ARG 9 5.173 -1.385 -9.232
95 1HH2 ARG 9 1HH2 ARG 9 2.281 -3.238 -9.884
96 2HH2 ARG 9 2HH2 ARG 9 3.704 -2.521 -10.567
97 H GLY 10 H GLY 10 -1.876 0.379 -4.821
98 1HA GLY 10 2HA GLY 10 -3.203 -1.138 -3.723
99 2HA GLY 10 1HA GLY 10 -2.651 -2.225 -4.984
100 H ILE 11 H ILE 11 -2.071 -1.094 -1.721
101 HA ILE 11 HA ILE 11 0.073 -2.766 -1.051
102 HB ILE 11 HB ILE 11 -2.107 -1.602 0.676
103 1HG1 ILE 11 2HG1 ILE 11 0.290 -0.407 1.317
104 2HG1 ILE 11 1HG1 ILE 11 0.433 -0.647 -0.421
105 1HG2 ILE 11 1HG2 ILE 11 0.170 -3.376 1.362
106 2HG2 ILE 11 2HG2 ILE 11 -1.419 -3.232 2.112
107 3HG2 ILE 11 3HG2 ILE 11 -0.173 -2.029 2.447
108 1HD1 ILE 11 1HD1 ILE 11 -1.482 1.033 1.111
109 2HD1 ILE 11 2HD1 ILE 11 -1.948 0.413 -0.477
110 3HD1 ILE 11 3HD1 ILE 11 -0.517 1.433 -0.308
111 H TYR 12 H TYR 12 -3.219 -3.539 -1.633
112 HA TYR 12 HA TYR 12 -4.335 -5.522 -1.627
113 1HB TYR 12 2HB TYR 12 -1.539 -6.296 -1.624
114 2HB TYR 12 1HB TYR 12 -2.520 -7.464 -0.746
115 HD1 TYR 12 1HD TYR 12 -1.159 -6.835 -3.820
116 HD2 TYR 12 2HD TYR 12 -4.892 -7.898 -2.079
117 HE1 TYR 12 1HE TYR 12 -1.863 -7.830 -5.955
118 HE2 TYR 12 2HE TYR 12 -5.607 -8.897 -4.209
119 HH TYR 12 HH TYR 12 -4.052 -9.933 -6.371
120 H TYR 13 H TYR 13 -4.277 -3.853 0.692
121 HA TYR 13 HA TYR 13 -4.039 -5.534 3.011
122 1HB TYR 13 2HB TYR 13 -4.526 -3.634 4.281
123 2HB TYR 13 1HB TYR 13 -3.712 -2.970 2.869
124 HD1 TYR 13 1HD TYR 13 -4.969 -1.703 1.191
125 HD2 TYR 13 2HD TYR 13 -6.868 -3.216 4.686
126 HE1 TYR 13 1HE TYR 13 -6.889 -0.221 0.783
127 HE2 TYR 13 2HE TYR 13 -8.794 -1.740 4.286
128 HH TYR 13 HH TYR 13 -9.349 0.287 3.119
129 H ARG 14 H ARG 14 -6.741 -4.096 1.204
130 HA ARG 14 HA ARG 14 -8.569 -5.899 2.639
131 1HB ARG 14 2HB ARG 14 -8.778 -3.140 1.741
132 2HB ARG 14 1HB ARG 14 -10.132 -4.115 1.188
133 1HG ARG 14 2HG ARG 14 -9.217 -3.848 4.045
134 2HG ARG 14 1HG ARG 14 -10.600 -3.024 3.322
135 1HD ARG 14 2HD ARG 14 -10.515 -5.966 3.035
136 2HD ARG 14 1HD ARG 14 -10.789 -5.345 4.662
137 HE ARG 14 HE ARG 14 -12.550 -3.949 3.148
138 1HH1 ARG 14 1HH1 ARG 14 -11.896 -7.355 3.544
139 2HH1 ARG 14 2HH1 ARG 14 -13.529 -7.832 3.219
140 1HH2 ARG 14 1HH2 ARG 14 -14.696 -4.576 2.719
141 2HH2 ARG 14 2HH2 ARG 14 -15.118 -6.255 2.750
142 H ARG 15 H ARG 15 -7.197 -5.194 -0.439
143 HA ARG 15 HA ARG 15 -9.057 -6.095 -2.245
144 1HB ARG 15 2HB ARG 15 -6.205 -5.728 -2.192
145 2HB ARG 15 1HB ARG 15 -6.593 -7.195 -3.080
146 1HG ARG 15 2HG ARG 15 -6.427 -5.155 -4.484
147 2HG ARG 15 1HG ARG 15 -7.973 -5.996 -4.608
148 1HD ARG 15 2HD ARG 15 -8.009 -3.440 -4.407
149 2HD ARG 15 1HD ARG 15 -9.095 -4.364 -3.371
150 HE ARG 15 HE ARG 15 -7.999 -3.508 -1.570
151 1HH1 ARG 15 1HH1 ARG 15 -5.887 -3.281 -4.339
152 2HH1 ARG 15 2HH1 ARG 15 -4.644 -2.439 -3.477
153 1HH2 ARG 15 1HH2 ARG 15 -6.366 -2.400 -0.438
154 2HH2 ARG 15 2HH2 ARG 15 -4.915 -1.938 -1.263
155 H TYR 16 H TYR 16 -6.486 -8.170 -0.889
156 HA TYR 16 HA TYR 16 -6.415 -10.390 -0.412
157 1HB TYR 16 2HB TYR 16 -9.231 -9.646 0.095
158 2HB TYR 16 1HB TYR 16 -8.931 -11.366 -0.130
159 HD1 TYR 16 1HD TYR 16 -9.598 -9.326 2.359
160 HD2 TYR 16 2HD TYR 16 -6.326 -11.751 1.126
161 HE1 TYR 16 1HE TYR 16 -8.847 -9.489 4.695
162 HE2 TYR 16 2HE TYR 16 -5.567 -11.921 3.459
163 HH TYR 16 HH TYR 16 -6.421 -11.697 5.696
164 H ARG 17 H ARG 17 -9.516 -10.437 -2.135
165 HA ARG 17 HA ARG 17 -8.299 -12.247 -4.103
166 1HB ARG 17 2HB ARG 17 -10.550 -13.045 -4.558
167 2HB ARG 17 1HB ARG 17 -10.217 -13.139 -2.834
168 1HG ARG 17 2HG ARG 17 -11.499 -10.649 -3.738
169 2HG ARG 17 1HG ARG 17 -12.473 -12.113 -3.892
170 1HD ARG 17 2HD ARG 17 -12.418 -12.535 -1.599
171 2HD ARG 17 1HD ARG 17 -11.017 -11.494 -1.347
172 HE ARG 17 HE ARG 17 -13.362 -10.104 -2.271
173 1HH1 ARG 17 1HH1 ARG 17 -11.633 -11.272 0.527
174 2HH1 ARG 17 2HH1 ARG 17 -12.357 -10.127 1.606
175 1HH2 ARG 17 1HH2 ARG 17 -14.315 -8.600 -0.853
176 2HH2 ARG 17 2HH2 ARG 17 -13.881 -8.611 0.823
Start of MODEL 18
1 1H LYS 1 1HT LYS 1 -1.497 4.922 -2.371
2 2H LYS 1 2HT LYS 1 -0.755 3.605 -3.182
3 3H LYS 1 3HT LYS 1 0.197 4.704 -2.275
4 HA LYS 1 HA LYS 1 -0.546 2.402 -1.374
5 1HB LYS 1 2HB LYS 1 0.778 4.509 -0.453
6 2HB LYS 1 1HB LYS 1 -0.647 4.666 0.555
7 1HG LYS 1 2HG LYS 1 0.363 3.288 1.963
8 2HG LYS 1 1HG LYS 1 0.031 2.005 0.803
9 1HD LYS 1 2HD LYS 1 2.185 1.873 0.144
10 2HD LYS 1 1HD LYS 1 2.421 3.620 0.232
11 1HE LYS 1 2HE LYS 1 2.904 3.563 2.507
12 2HE LYS 1 1HE LYS 1 2.143 1.988 2.726
13 1HZ LYS 1 1HZ LYS 1 3.993 0.907 2.080
14 2HZ LYS 1 2HZ LYS 1 4.767 2.332 2.556
15 3HZ LYS 1 3HZ LYS 1 4.420 2.065 0.923
16 H TRP 2 H TRP 2 -2.683 1.991 -2.172
17 HA TRP 2 HA TRP 2 -4.722 1.229 -1.450
18 1HB TRP 2 2HB TRP 2 -3.876 2.390 0.827
19 2HB TRP 2 1HB TRP 2 -5.129 3.512 0.406
20 HD1 TRP 2 HD TRP 2 -4.857 1.013 2.719
21 HE1 TRP 2 1HE TRP 2 -7.013 -0.299 3.039
22 HE3 TRP 2 3HE TRP 2 -7.169 2.272 -1.600
23 HZ2 TRP 2 2HZ TRP 2 -9.446 -0.785 1.590
24 HZ3 TRP 2 3HZ TRP 2 -9.353 1.404 -2.087
25 HH2 TRP 2 HH TRP 2 -10.510 -0.121 -0.535
26 H TYR 3 H TYR 3 -5.248 4.501 -0.739
27 HA TYR 3 HA TYR 3 -6.225 5.306 -3.279
28 1HB TYR 3 2HB TYR 3 -8.289 6.162 -1.820
29 2HB TYR 3 1HB TYR 3 -8.290 4.652 -2.690
30 HD1 TYR 3 1HD TYR 3 -10.194 4.047 -1.195
31 HD2 TYR 3 2HD TYR 3 -6.282 4.711 0.334
32 HE1 TYR 3 1HE TYR 3 -10.789 2.836 0.860
33 HE2 TYR 3 2HE TYR 3 -6.838 3.459 2.357
34 HH TYR 3 HH TYR 3 -9.830 2.903 3.387
35 H PHE 4 H PHE 4 -6.859 6.517 0.006
36 HA PHE 4 HA PHE 4 -6.559 9.170 -0.491
37 1HB PHE 4 2HB PHE 4 -6.133 9.483 1.923
38 2HB PHE 4 1HB PHE 4 -7.472 8.394 1.599
39 HD1 PHE 4 1HD PHE 4 -7.161 5.943 1.946
40 HD2 PHE 4 2HD PHE 4 -4.244 8.785 3.153
41 HE1 PHE 4 1HE PHE 4 -6.148 4.243 3.446
42 HE2 PHE 4 2HE PHE 4 -3.231 7.115 4.649
43 HZ PHE 4 HZ PHE 4 -4.180 4.851 4.795
44 H ARG 5 H ARG 5 -3.981 6.867 -0.236
45 HA ARG 5 HA ARG 5 -2.001 9.026 -0.061
46 1HB ARG 5 2HB ARG 5 -1.454 6.070 -0.053
47 2HB ARG 5 1HB ARG 5 -0.389 7.369 0.470
48 1HG ARG 5 2HG ARG 5 -3.004 6.776 1.811
49 2HG ARG 5 1HG ARG 5 -1.482 6.028 2.296
50 1HD ARG 5 2HD ARG 5 -1.909 7.962 3.688
51 2HD ARG 5 1HD ARG 5 -0.515 8.264 2.657
52 HE ARG 5 HE ARG 5 -2.894 9.245 1.450
53 1HH1 ARG 5 1HH1 ARG 5 -0.585 9.952 3.974
54 2HH1 ARG 5 2HH1 ARG 5 -0.853 11.660 3.912
55 1HH2 ARG 5 1HH2 ARG 5 -3.246 11.493 1.369
56 2HH2 ARG 5 2HH2 ARG 5 -2.364 12.536 2.434
57 H VAL 6 H VAL 6 -2.992 6.362 -2.136
58 HA VAL 6 HA VAL 6 -2.367 5.793 -4.267
59 HB VAL 6 HB VAL 6 -3.983 7.330 -4.867
60 1HG1 VAL 6 1HG1 VAL 6 -3.531 8.954 -3.097
61 2HG1 VAL 6 2HG1 VAL 6 -3.820 9.745 -4.650
62 3HG1 VAL 6 3HG1 VAL 6 -2.176 9.594 -4.034
63 1HG2 VAL 6 1HG2 VAL 6 -3.331 8.250 -6.875
64 2HG2 VAL 6 2HG2 VAL 6 -2.069 7.048 -6.605
65 3HG2 VAL 6 3HG2 VAL 6 -1.756 8.750 -6.262
66 H TYR 7 H TYR 7 -0.068 6.390 -2.508
67 HA TYR 7 HA TYR 7 1.869 7.235 -4.557
68 1HB TYR 7 2HB TYR 7 3.209 8.266 -2.952
69 2HB TYR 7 1HB TYR 7 1.583 8.668 -2.422
70 HD1 TYR 7 1HD TYR 7 0.651 6.480 -0.881
71 HD2 TYR 7 2HD TYR 7 4.624 7.965 -1.162
72 HE1 TYR 7 1HE TYR 7 1.137 5.544 1.345
73 HE2 TYR 7 2HE TYR 7 5.131 7.042 1.061
74 HH TYR 7 HH TYR 7 2.877 6.134 3.235
75 H TYR 8 H TYR 8 0.815 4.504 -4.034
76 HA TYR 8 HA TYR 8 3.397 3.182 -3.779
77 1HB TYR 8 2HB TYR 8 2.899 2.639 -1.641
78 2HB TYR 8 1HB TYR 8 1.211 3.041 -1.853
79 HD1 TYR 8 1HD TYR 8 3.020 0.454 -3.788
80 HD2 TYR 8 2HD TYR 8 0.217 1.172 -0.648
81 HE1 TYR 8 1HE TYR 8 2.433 -1.908 -3.751
82 HE2 TYR 8 2HE TYR 8 -0.306 -1.166 -0.566
83 HH TYR 8 HH TYR 8 -0.227 -3.138 -1.955
84 H ARG 9 H ARG 9 0.132 1.822 -3.733
85 HA ARG 9 HA ARG 9 -0.040 1.204 -6.457
86 1HB ARG 9 2HB ARG 9 1.869 -0.321 -5.505
87 2HB ARG 9 1HB ARG 9 0.513 -1.259 -4.891
88 1HG ARG 9 2HG ARG 9 0.658 -0.485 -7.771
89 2HG ARG 9 1HG ARG 9 1.520 -1.897 -7.154
90 1HD ARG 9 2HD ARG 9 -0.351 -3.099 -7.128
91 2HD ARG 9 1HD ARG 9 -1.175 -1.874 -6.164
92 HE ARG 9 HE ARG 9 -2.136 -1.030 -8.082
93 1HH1 ARG 9 1HH1 ARG 9 0.287 -3.401 -8.924
94 2HH1 ARG 9 2HH1 ARG 9 -0.202 -3.492 -10.582
95 1HH2 ARG 9 1HH2 ARG 9 -2.778 -1.152 -10.260
96 2HH2 ARG 9 2HH2 ARG 9 -1.941 -2.215 -11.341
97 H GLY 10 H GLY 10 -0.668 -0.563 -3.481
98 1HA GLY 10 2HA GLY 10 -3.273 0.195 -3.084
99 2HA GLY 10 1HA GLY 10 -3.349 -1.200 -4.159
100 H ILE 11 H ILE 11 -2.503 -0.005 -1.060
101 HA ILE 11 HA ILE 11 -1.411 -2.276 0.130
102 HB ILE 11 HB ILE 11 -2.932 -0.889 2.072
103 1HG1 ILE 11 2HG1 ILE 11 -1.509 0.941 0.178
104 2HG1 ILE 11 1HG1 ILE 11 -3.240 0.878 0.500
105 1HG2 ILE 11 1HG2 ILE 11 -0.933 -1.841 2.728
106 2HG2 ILE 11 2HG2 ILE 11 -0.604 -0.106 2.743
107 3HG2 ILE 11 3HG2 ILE 11 -0.044 -1.098 1.396
108 1HD1 ILE 11 1HD1 ILE 11 -1.634 2.653 1.635
109 2HD1 ILE 11 2HD1 ILE 11 -1.464 1.343 2.801
110 3HD1 ILE 11 3HD1 ILE 11 -3.070 2.006 2.447
111 H TYR 12 H TYR 12 -4.775 -1.278 -0.209
112 HA TYR 12 HA TYR 12 -6.664 -2.239 0.640
113 1HB TYR 12 2HB TYR 12 -7.397 -3.654 -0.958
114 2HB TYR 12 1HB TYR 12 -5.918 -3.122 -1.721
115 HD1 TYR 12 1HD TYR 12 -7.356 -5.625 -2.441
116 HD2 TYR 12 2HD TYR 12 -4.338 -4.856 0.393
117 HE1 TYR 12 1HE TYR 12 -6.593 -7.958 -2.662
118 HE2 TYR 12 2HE TYR 12 -3.524 -7.187 0.206
119 HH TYR 12 HH TYR 12 -3.616 -9.035 -1.419
120 H TYR 13 H TYR 13 -4.699 -2.456 2.560
121 HA TYR 13 HA TYR 13 -4.072 -4.796 3.717
122 1HB TYR 13 2HB TYR 13 -3.999 -3.682 5.827
123 2HB TYR 13 1HB TYR 13 -3.591 -2.492 4.595
124 HD1 TYR 13 1HD TYR 13 -6.214 -3.615 6.929
125 HD2 TYR 13 2HD TYR 13 -4.966 -0.571 4.232
126 HE1 TYR 13 1HE TYR 13 -7.980 -2.137 7.791
127 HE2 TYR 13 2HE TYR 13 -6.729 0.916 5.087
128 HH TYR 13 HH TYR 13 -9.217 0.258 6.397
129 H ARG 14 H ARG 14 -7.250 -3.220 3.999
130 HA ARG 14 HA ARG 14 -8.355 -5.160 5.743
131 1HB ARG 14 2HB ARG 14 -9.226 -2.801 5.250
132 2HB ARG 14 1HB ARG 14 -9.944 -3.489 3.800
133 1HG ARG 14 2HG ARG 14 -11.629 -4.404 4.936
134 2HG ARG 14 1HG ARG 14 -10.560 -5.015 6.200
135 1HD ARG 14 2HD ARG 14 -10.624 -2.978 7.381
136 2HD ARG 14 1HD ARG 14 -11.322 -2.115 6.011
137 HE ARG 14 HE ARG 14 -12.730 -3.586 8.005
138 1HH1 ARG 14 1HH1 ARG 14 -12.806 -2.658 4.642
139 2HH1 ARG 14 2HH1 ARG 14 -14.529 -2.785 4.517
140 1HH2 ARG 14 1HH2 ARG 14 -14.995 -3.753 7.842
141 2HH2 ARG 14 2HH2 ARG 14 -15.771 -3.405 6.333
142 H ARG 15 H ARG 15 -9.026 -4.603 2.291
143 HA ARG 15 HA ARG 15 -10.303 -7.125 1.966
144 1HB ARG 15 2HB ARG 15 -9.826 -6.566 -0.555
145 2HB ARG 15 1HB ARG 15 -11.037 -5.671 0.348
146 1HG ARG 15 2HG ARG 15 -8.390 -4.465 0.535
147 2HG ARG 15 1HG ARG 15 -8.963 -4.614 -1.124
148 1HD ARG 15 2HD ARG 15 -9.547 -2.501 0.327
149 2HD ARG 15 1HD ARG 15 -10.712 -3.180 -0.807
150 HE ARG 15 HE ARG 15 -10.921 -4.224 1.871
151 1HH1 ARG 15 1HH1 ARG 15 -11.934 -1.703 -0.322
152 2HH1 ARG 15 2HH1 ARG 15 -13.391 -1.360 0.549
153 1HH2 ARG 15 1HH2 ARG 15 -12.840 -3.779 3.011
154 2HH2 ARG 15 2HH2 ARG 15 -13.905 -2.538 2.441
155 H TYR 16 H TYR 16 -8.687 -8.511 2.912
156 HA TYR 16 HA TYR 16 -6.267 -8.901 1.328
157 1HB TYR 16 2HB TYR 16 -6.075 -8.796 3.791
158 2HB TYR 16 1HB TYR 16 -7.119 -10.207 3.922
159 HD1 TYR 16 1HD TYR 16 -6.227 -12.377 3.782
160 HD2 TYR 16 2HD TYR 16 -3.844 -9.054 2.608
161 HE1 TYR 16 1HE TYR 16 -4.262 -13.849 3.622
162 HE2 TYR 16 2HE TYR 16 -1.874 -10.517 2.444
163 HH TYR 16 HH TYR 16 -2.112 -13.943 2.570
164 H ARG 17 H ARG 17 -7.826 -9.635 -0.427
165 HA ARG 17 HA ARG 17 -8.542 -12.465 -0.093
166 1HB ARG 17 2HB ARG 17 -10.001 -12.160 -2.042
167 2HB ARG 17 1HB ARG 17 -10.392 -11.017 -0.765
168 1HG ARG 17 2HG ARG 17 -8.585 -9.617 -2.269
169 2HG ARG 17 1HG ARG 17 -9.461 -10.545 -3.487
170 1HD ARG 17 2HD ARG 17 -10.676 -8.737 -1.400
171 2HD ARG 17 1HD ARG 17 -10.518 -8.385 -3.118
172 HE ARG 17 HE ARG 17 -12.201 -9.964 -3.580
173 1HH1 ARG 17 1HH1 ARG 17 -11.631 -9.612 -0.147
174 2HH1 ARG 17 2HH1 ARG 17 -13.128 -10.357 0.298
175 1HH2 ARG 17 1HH2 ARG 17 -14.163 -10.941 -2.985
176 2HH2 ARG 17 2HH2 ARG 17 -14.563 -11.111 -1.309
Start of MODEL 19
1 1H LYS 1 1HT LYS 1 -4.729 2.045 -7.104
2 2H LYS 1 2HT LYS 1 -3.895 0.547 -7.063
3 3H LYS 1 3HT LYS 1 -3.236 1.874 -7.927
4 HA LYS 1 HA LYS 1 -2.227 1.366 -5.736
5 1HB LYS 1 2HB LYS 1 -2.880 3.777 -7.079
6 2HB LYS 1 1HB LYS 1 -3.044 4.091 -5.358
7 1HG LYS 1 2HG LYS 1 -0.851 4.275 -5.164
8 2HG LYS 1 1HG LYS 1 -0.642 2.630 -5.769
9 1HD LYS 1 2HD LYS 1 -0.106 3.324 -7.855
10 2HD LYS 1 1HD LYS 1 -1.220 4.691 -7.800
11 1HE LYS 1 2HE LYS 1 0.355 5.871 -6.311
12 2HE LYS 1 1HE LYS 1 1.479 4.522 -6.465
13 1HZ LYS 1 1HZ LYS 1 0.563 6.340 -8.622
14 2HZ LYS 1 2HZ LYS 1 1.474 4.943 -8.896
15 3HZ LYS 1 3HZ LYS 1 2.126 6.212 -7.988
16 H TRP 2 H TRP 2 -2.784 3.182 -3.628
17 HA TRP 2 HA TRP 2 -4.762 1.680 -2.205
18 1HB TRP 2 2HB TRP 2 -2.405 2.867 -1.550
19 2HB TRP 2 1HB TRP 2 -3.537 4.075 -0.977
20 HD1 TRP 2 HD TRP 2 -4.045 0.239 -0.714
21 HE1 TRP 2 1HE TRP 2 -4.190 -0.340 1.794
22 HE3 TRP 2 3HE TRP 2 -3.066 4.835 1.239
23 HZ2 TRP 2 2HZ TRP 2 -3.922 0.988 4.283
24 HZ3 TRP 2 3HZ TRP 2 -3.030 5.119 3.666
25 HH2 TRP 2 HH TRP 2 -3.447 3.233 5.172
26 H TYR 3 H TYR 3 -4.803 4.891 -1.120
27 HA TYR 3 HA TYR 3 -6.816 5.890 -2.862
28 1HB TYR 3 2HB TYR 3 -8.003 5.809 -0.277
29 2HB TYR 3 1HB TYR 3 -8.637 5.199 -1.789
30 HD1 TYR 3 1HD TYR 3 -5.942 4.216 0.616
31 HD2 TYR 3 2HD TYR 3 -9.351 3.010 -1.640
32 HE1 TYR 3 1HE TYR 3 -5.729 1.929 1.499
33 HE2 TYR 3 2HE TYR 3 -9.138 0.726 -0.757
34 HH TYR 3 HH TYR 3 -7.151 -0.042 1.878
35 H PHE 4 H PHE 4 -6.461 6.244 0.621
36 HA PHE 4 HA PHE 4 -6.692 8.959 0.809
37 1HB PHE 4 2HB PHE 4 -4.787 7.667 2.696
38 2HB PHE 4 1HB PHE 4 -6.130 8.754 3.027
39 HD1 PHE 4 1HD PHE 4 -8.343 7.894 3.431
40 HD2 PHE 4 2HD PHE 4 -5.156 5.288 2.388
41 HE1 PHE 4 1HE PHE 4 -9.704 5.960 4.113
42 HE2 PHE 4 2HE PHE 4 -6.500 3.340 3.063
43 HZ PHE 4 HZ PHE 4 -8.785 3.681 3.930
44 H ARG 5 H ARG 5 -3.917 7.182 -0.237
45 HA ARG 5 HA ARG 5 -2.444 9.717 -0.481
46 1HB ARG 5 2HB ARG 5 -0.467 7.795 -0.221
47 2HB ARG 5 1HB ARG 5 -0.942 8.971 0.992
48 1HG ARG 5 2HG ARG 5 -1.583 7.345 2.351
49 2HG ARG 5 1HG ARG 5 -2.715 6.731 1.145
50 1HD ARG 5 2HD ARG 5 0.208 6.059 1.352
51 2HD ARG 5 1HD ARG 5 -1.129 5.008 1.786
52 HE ARG 5 HE ARG 5 -1.433 5.810 -0.884
53 1HH1 ARG 5 1HH1 ARG 5 0.698 3.869 1.066
54 2HH1 ARG 5 2HH1 ARG 5 1.035 2.740 -0.201
55 1HH2 ARG 5 1HH2 ARG 5 -0.996 4.336 -2.558
56 2HH2 ARG 5 2HH2 ARG 5 0.068 3.003 -2.265
57 H VAL 6 H VAL 6 -2.911 6.431 -1.657
58 HA VAL 6 HA VAL 6 -2.312 5.399 -3.612
59 HB VAL 6 HB VAL 6 -4.313 6.552 -4.277
60 1HG1 VAL 6 1HG1 VAL 6 -3.834 8.780 -3.618
61 2HG1 VAL 6 2HG1 VAL 6 -4.162 8.805 -5.353
62 3HG1 VAL 6 3HG1 VAL 6 -2.500 8.899 -4.764
63 1HG2 VAL 6 1HG2 VAL 6 -3.084 7.298 -6.721
64 2HG2 VAL 6 2HG2 VAL 6 -3.952 5.811 -6.340
65 3HG2 VAL 6 3HG2 VAL 6 -2.209 5.905 -6.085
66 H TYR 7 H TYR 7 0.040 6.021 -2.674
67 HA TYR 7 HA TYR 7 1.455 7.258 -4.936
68 1HB TYR 7 2HB TYR 7 3.184 8.036 -3.334
69 2HB TYR 7 1HB TYR 7 1.617 8.786 -3.089
70 HD1 TYR 7 1HD TYR 7 2.091 9.490 -0.855
71 HD2 TYR 7 2HD TYR 7 2.355 5.365 -1.872
72 HE1 TYR 7 1HE TYR 7 2.205 8.908 1.529
73 HE2 TYR 7 2HE TYR 7 2.457 4.774 0.505
74 HH TYR 7 HH TYR 7 1.884 5.688 2.656
75 H TYR 8 H TYR 8 0.790 4.411 -3.761
76 HA TYR 8 HA TYR 8 3.419 3.317 -4.411
77 1HB TYR 8 2HB TYR 8 3.599 3.126 -2.124
78 2HB TYR 8 1HB TYR 8 1.869 2.997 -1.886
79 HD1 TYR 8 1HD TYR 8 2.130 1.215 -0.275
80 HD2 TYR 8 2HD TYR 8 3.590 0.767 -4.237
81 HE1 TYR 8 1HE TYR 8 2.352 -1.194 0.079
82 HE2 TYR 8 2HE TYR 8 3.760 -1.623 -3.908
83 HH TYR 8 HH TYR 8 2.713 -3.192 -0.923
84 H ARG 9 H ARG 9 1.069 1.051 -3.252
85 HA ARG 9 HA ARG 9 -0.751 0.492 -4.945
86 1HB ARG 9 2HB ARG 9 0.156 -0.847 -6.869
87 2HB ARG 9 1HB ARG 9 0.389 0.888 -6.973
88 1HG ARG 9 2HG ARG 9 2.693 0.130 -5.762
89 2HG ARG 9 1HG ARG 9 2.351 -1.282 -6.759
90 1HD ARG 9 2HD ARG 9 2.771 1.563 -7.622
91 2HD ARG 9 1HD ARG 9 3.670 0.127 -8.102
92 HE ARG 9 HE ARG 9 0.997 -0.174 -8.895
93 1HH1 ARG 9 1HH1 ARG 9 3.804 1.750 -9.665
94 2HH1 ARG 9 2HH1 ARG 9 3.342 1.989 -11.317
95 1HH2 ARG 9 1HH2 ARG 9 0.389 0.137 -11.068
96 2HH2 ARG 9 2HH2 ARG 9 1.405 1.074 -12.113
97 H GLY 10 H GLY 10 2.113 -1.513 -4.796
98 1HA GLY 10 2HA GLY 10 1.100 -3.949 -4.453
99 2HA GLY 10 1HA GLY 10 2.527 -3.411 -3.594
100 H ILE 11 H ILE 11 0.576 -1.437 -2.093
101 HA ILE 11 HA ILE 11 0.422 -2.564 0.323
102 HB ILE 11 HB ILE 11 -1.870 -0.979 -0.862
103 1HG1 ILE 11 2HG1 ILE 11 0.653 -0.175 0.572
104 2HG1 ILE 11 1HG1 ILE 11 0.083 0.351 -1.008
105 1HG2 ILE 11 1HG2 ILE 11 -2.120 -0.379 1.654
106 2HG2 ILE 11 2HG2 ILE 11 -1.234 -1.870 1.924
107 3HG2 ILE 11 3HG2 ILE 11 -2.773 -1.905 1.065
108 1HD1 ILE 11 1HD1 ILE 11 -1.171 1.977 -0.139
109 2HD1 ILE 11 2HD1 ILE 11 -0.175 1.757 1.299
110 3HD1 ILE 11 3HD1 ILE 11 -1.747 0.964 1.181
111 H TYR 12 H TYR 12 -1.230 -3.599 1.586
112 HA TYR 12 HA TYR 12 -2.376 -5.855 0.179
113 1HB TYR 12 2HB TYR 12 -1.683 -5.192 2.967
114 2HB TYR 12 1HB TYR 12 -3.130 -6.176 2.785
115 HD1 TYR 12 1HD TYR 12 -0.392 -6.410 0.370
116 HD2 TYR 12 2HD TYR 12 -2.108 -8.083 3.883
117 HE1 TYR 12 1HE TYR 12 0.995 -8.415 0.081
118 HE2 TYR 12 2HE TYR 12 -0.722 -10.092 3.612
119 HH TYR 12 HH TYR 12 1.306 -10.803 2.540
120 H TYR 13 H TYR 13 -3.628 -3.493 -0.581
121 HA TYR 13 HA TYR 13 -6.052 -3.216 0.952
122 1HB TYR 13 2HB TYR 13 -6.652 -1.465 -0.543
123 2HB TYR 13 1HB TYR 13 -4.938 -1.290 -0.206
124 HD1 TYR 13 1HD TYR 13 -3.352 -1.321 -1.963
125 HD2 TYR 13 2HD TYR 13 -7.379 -2.457 -2.733
126 HE1 TYR 13 1HE TYR 13 -2.895 -1.287 -4.380
127 HE2 TYR 13 2HE TYR 13 -6.931 -2.426 -5.151
128 HH TYR 13 HH TYR 13 -5.384 -1.457 -6.726
129 H ARG 14 H ARG 14 -5.067 -4.506 -2.177
130 HA ARG 14 HA ARG 14 -7.754 -5.634 -2.538
131 1HB ARG 14 2HB ARG 14 -5.749 -4.596 -4.343
132 2HB ARG 14 1HB ARG 14 -6.216 -6.223 -4.807
133 1HG ARG 14 2HG ARG 14 -8.578 -5.518 -4.798
134 2HG ARG 14 1HG ARG 14 -8.056 -3.872 -4.432
135 1HD ARG 14 2HD ARG 14 -8.393 -3.942 -6.768
136 2HD ARG 14 1HD ARG 14 -6.647 -3.994 -6.527
137 HE ARG 14 HE ARG 14 -7.785 -6.604 -6.722
138 1HH1 ARG 14 1HH1 ARG 14 -6.717 -3.866 -8.603
139 2HH1 ARG 14 2HH1 ARG 14 -6.381 -4.809 -10.015
140 1HH2 ARG 14 1HH2 ARG 14 -7.344 -7.846 -8.577
141 2HH2 ARG 14 2HH2 ARG 14 -6.737 -7.068 -10.002
142 H ARG 15 H ARG 15 -4.342 -6.647 -2.884
143 HA ARG 15 HA ARG 15 -4.631 -9.317 -3.330
144 1HB ARG 15 2HB ARG 15 -2.440 -9.572 -2.689
145 2HB ARG 15 1HB ARG 15 -2.491 -7.835 -2.899
146 1HG ARG 15 2HG ARG 15 -1.339 -8.151 -0.916
147 2HG ARG 15 1HG ARG 15 -2.968 -7.720 -0.397
148 1HD ARG 15 2HD ARG 15 -1.561 -9.859 0.526
149 2HD ARG 15 1HD ARG 15 -3.310 -9.724 0.566
150 HE ARG 15 HE ARG 15 -3.446 -11.338 -1.061
151 1HH1 ARG 15 1HH1 ARG 15 -0.137 -10.262 -0.776
152 2HH1 ARG 15 2HH1 ARG 15 0.491 -11.525 -1.779
153 1HH2 ARG 15 1HH2 ARG 15 -2.620 -12.999 -2.383
154 2HH2 ARG 15 2HH2 ARG 15 -0.918 -13.078 -2.692
155 H TYR 16 H TYR 16 -4.945 -7.632 -0.294
156 HA TYR 16 HA TYR 16 -4.848 -9.295 1.682
157 1HB TYR 16 2HB TYR 16 -6.438 -8.052 2.833
158 2HB TYR 16 1HB TYR 16 -6.013 -6.967 1.515
159 HD1 TYR 16 1HD TYR 16 -7.557 -6.772 -0.454
160 HD2 TYR 16 2HD TYR 16 -8.656 -8.845 3.096
161 HE1 TYR 16 1HE TYR 16 -9.923 -6.617 -1.103
162 HE2 TYR 16 2HE TYR 16 -11.025 -8.696 2.456
163 HH TYR 16 HH TYR 16 -12.099 -8.099 -0.502
164 H ARG 17 H ARG 17 -7.571 -9.474 -0.603
165 HA ARG 17 HA ARG 17 -8.147 -12.158 0.462
166 1HB ARG 17 2HB ARG 17 -10.146 -11.223 0.956
167 2HB ARG 17 1HB ARG 17 -9.908 -9.884 -0.153
168 1HG ARG 17 2HG ARG 17 -10.568 -12.612 -1.185
169 2HG ARG 17 1HG ARG 17 -11.833 -11.540 -0.579
170 1HD ARG 17 2HD ARG 17 -11.706 -10.177 -2.362
171 2HD ARG 17 1HD ARG 17 -9.945 -10.276 -2.433
172 HE ARG 17 HE ARG 17 -10.705 -12.701 -3.323
173 1HH1 ARG 17 1HH1 ARG 17 -11.665 -9.465 -4.211
174 2HH1 ARG 17 2HH1 ARG 17 -12.015 -9.886 -5.854
175 1HH2 ARG 17 1HH2 ARG 17 -11.165 -13.256 -5.481
176 2HH2 ARG 17 2HH2 ARG 17 -11.733 -12.038 -6.575
Start of MODEL 20
1 1H LYS 1 1HT LYS 1 -0.738 5.228 -1.105
2 2H LYS 1 2HT LYS 1 -0.240 4.856 0.496
3 3H LYS 1 3HT LYS 1 -1.748 5.623 0.217
4 HA LYS 1 HA LYS 1 -0.964 2.894 -0.466
5 1HB LYS 1 2HB LYS 1 -3.324 3.861 1.123
6 2HB LYS 1 1HB LYS 1 -2.566 2.281 1.155
7 1HG LYS 1 2HG LYS 1 -1.240 4.779 2.175
8 2HG LYS 1 1HG LYS 1 -2.183 3.680 3.183
9 1HD LYS 1 2HD LYS 1 -0.636 1.978 3.008
10 2HD LYS 1 1HD LYS 1 0.035 2.606 1.502
11 1HE LYS 1 2HE LYS 1 0.761 4.618 2.984
12 2HE LYS 1 1HE LYS 1 0.537 3.483 4.315
13 1HZ LYS 1 1HZ LYS 1 2.415 2.437 3.805
14 2HZ LYS 1 2HZ LYS 1 2.776 3.737 2.782
15 3HZ LYS 1 3HZ LYS 1 2.031 2.352 2.158
16 H TRP 2 H TRP 2 -2.684 1.681 -1.496
17 HA TRP 2 HA TRP 2 -3.588 2.241 -3.867
18 1HB TRP 2 2HB TRP 2 -5.813 1.079 -3.241
19 2HB TRP 2 1HB TRP 2 -4.313 0.198 -2.948
20 HD1 TRP 2 HD TRP 2 -3.386 0.365 -0.300
21 HE1 TRP 2 1HE TRP 2 -4.725 0.395 1.881
22 HE3 TRP 2 3HE TRP 2 -7.959 1.611 -2.205
23 HZ2 TRP 2 2HZ TRP 2 -7.408 0.835 2.691
24 HZ3 TRP 2 3HZ TRP 2 -9.861 1.806 -0.662
25 HH2 TRP 2 HH TRP 2 -9.592 1.425 1.735
26 H TYR 3 H TYR 3 -5.158 3.551 -1.002
27 HA TYR 3 HA TYR 3 -6.856 5.231 -2.670
28 1HB TYR 3 2HB TYR 3 -8.181 5.606 -0.575
29 2HB TYR 3 1HB TYR 3 -8.152 3.959 -1.169
30 HD1 TYR 3 1HD TYR 3 -9.090 4.497 1.487
31 HD2 TYR 3 2HD TYR 3 -5.077 3.895 0.203
32 HE1 TYR 3 1HE TYR 3 -8.499 3.643 3.713
33 HE2 TYR 3 2HE TYR 3 -4.486 3.012 2.400
34 HH TYR 3 HH TYR 3 -6.462 3.396 5.113
35 H PHE 4 H PHE 4 -7.104 6.713 0.147
36 HA PHE 4 HA PHE 4 -6.560 9.134 -0.317
37 1HB PHE 4 2HB PHE 4 -5.979 9.618 1.965
38 2HB PHE 4 1HB PHE 4 -7.204 8.367 1.875
39 HD1 PHE 4 1HD PHE 4 -5.443 9.126 4.221
40 HD2 PHE 4 2HD PHE 4 -5.059 6.138 1.217
41 HE1 PHE 4 1HE PHE 4 -4.144 7.735 5.777
42 HE2 PHE 4 2HE PHE 4 -3.754 4.745 2.769
43 HZ PHE 4 HZ PHE 4 -3.297 5.542 5.050
44 H ARG 5 H ARG 5 -3.637 7.092 0.227
45 HA ARG 5 HA ARG 5 -2.062 9.492 -0.386
46 1HB ARG 5 2HB ARG 5 -0.563 7.015 0.071
47 2HB ARG 5 1HB ARG 5 -0.311 8.623 0.714
48 1HG ARG 5 2HG ARG 5 -2.557 6.913 1.704
49 2HG ARG 5 1HG ARG 5 -0.921 6.738 2.333
50 1HD ARG 5 2HD ARG 5 -2.542 8.324 3.558
51 2HD ARG 5 1HD ARG 5 -0.897 8.864 3.256
52 HE ARG 5 HE ARG 5 -2.811 9.647 1.233
53 1HH1 ARG 5 1HH1 ARG 5 -1.271 10.510 4.247
54 2HH1 ARG 5 2HH1 ARG 5 -1.569 12.205 4.054
55 1HH2 ARG 5 1HH2 ARG 5 -3.200 11.873 0.982
56 2HH2 ARG 5 2HH2 ARG 5 -2.662 12.978 2.203
57 H VAL 6 H VAL 6 -2.800 6.335 -1.665
58 HA VAL 6 HA VAL 6 -2.223 5.328 -3.647
59 HB VAL 6 HB VAL 6 -4.051 6.501 -4.439
60 1HG1 VAL 6 1HG1 VAL 6 -3.680 8.541 -3.137
61 2HG1 VAL 6 2HG1 VAL 6 -4.166 8.903 -4.798
62 3HG1 VAL 6 3HG1 VAL 6 -2.479 9.072 -4.319
63 1HG2 VAL 6 1HG2 VAL 6 -3.629 6.929 -6.655
64 2HG2 VAL 6 2HG2 VAL 6 -2.191 6.012 -6.206
65 3HG2 VAL 6 3HG2 VAL 6 -2.116 7.772 -6.320
66 H TYR 7 H TYR 7 0.066 6.542 -2.276
67 HA TYR 7 HA TYR 7 1.749 7.716 -4.288
68 1HB TYR 7 2HB TYR 7 3.398 7.876 -2.607
69 2HB TYR 7 1HB TYR 7 1.879 8.087 -1.739
70 HD1 TYR 7 1HD TYR 7 4.904 6.201 -1.967
71 HD2 TYR 7 2HD TYR 7 0.889 6.038 -0.583
72 HE1 TYR 7 1HE TYR 7 5.498 4.319 -0.500
73 HE2 TYR 7 2HE TYR 7 1.464 4.138 0.886
74 HH TYR 7 HH TYR 7 4.565 3.321 1.685
75 H TYR 8 H TYR 8 0.905 4.545 -3.294
76 HA TYR 8 HA TYR 8 2.963 3.436 -5.067
77 1HB TYR 8 2HB TYR 8 3.863 2.914 -2.959
78 2HB TYR 8 1HB TYR 8 2.277 2.595 -2.264
79 HD1 TYR 8 1HD TYR 8 1.215 0.435 -2.511
80 HD2 TYR 8 2HD TYR 8 4.952 1.248 -4.393
81 HE1 TYR 8 1HE TYR 8 1.476 -1.931 -3.025
82 HE2 TYR 8 2HE TYR 8 5.227 -1.145 -4.886
83 HH TYR 8 HH TYR 8 2.678 -3.392 -4.542
84 H ARG 9 H ARG 9 0.324 2.130 -3.090
85 HA ARG 9 HA ARG 9 -1.717 1.265 -3.709
86 1HB ARG 9 2HB ARG 9 -2.513 1.252 -5.853
87 2HB ARG 9 1HB ARG 9 -1.258 2.472 -6.007
88 1HG ARG 9 2HG ARG 9 0.124 0.192 -6.581
89 2HG ARG 9 1HG ARG 9 -1.475 -0.172 -7.241
90 1HD ARG 9 2HD ARG 9 -0.323 2.503 -7.795
91 2HD ARG 9 1HD ARG 9 0.391 1.123 -8.629
92 HE ARG 9 HE ARG 9 -2.391 0.975 -8.894
93 1HH1 ARG 9 1HH1 ARG 9 0.272 2.970 -9.947
94 2HH1 ARG 9 2HH1 ARG 9 -0.509 3.457 -11.415
95 1HH2 ARG 9 1HH2 ARG 9 -3.420 1.615 -10.824
96 2HH2 ARG 9 2HH2 ARG 9 -2.605 2.688 -11.913
97 H GLY 10 H GLY 10 -2.145 -0.719 -3.107
98 1HA GLY 10 2HA GLY 10 -2.138 -3.066 -3.350
99 2HA GLY 10 1HA GLY 10 -0.673 -2.936 -4.312
100 H ILE 11 H ILE 11 -0.031 -0.980 -1.848
101 HA ILE 11 HA ILE 11 1.949 -1.558 -0.516
102 HB ILE 11 HB ILE 11 -0.613 -1.795 1.024
103 1HG1 ILE 11 2HG1 ILE 11 -0.034 0.633 1.610
104 2HG1 ILE 11 1HG1 ILE 11 1.051 0.576 0.223
105 1HG2 ILE 11 1HG2 ILE 11 0.750 -0.994 2.959
106 2HG2 ILE 11 2HG2 ILE 11 2.189 -1.259 1.973
107 3HG2 ILE 11 3HG2 ILE 11 1.150 -2.619 2.400
108 1HD1 ILE 11 1HD1 ILE 11 -1.469 -0.400 -0.601
109 2HD1 ILE 11 2HD1 ILE 11 -0.647 1.086 -1.081
110 3HD1 ILE 11 3HD1 ILE 11 -1.730 1.087 0.314
111 H TYR 12 H TYR 12 -0.733 -3.717 0.270
112 HA TYR 12 HA TYR 12 -0.626 -6.076 0.159
113 1HB TYR 12 2HB TYR 12 1.806 -5.996 -0.418
114 2HB TYR 12 1HB TYR 12 2.144 -5.830 1.299
115 HD1 TYR 12 1HD TYR 12 3.391 -7.862 1.549
116 HD2 TYR 12 2HD TYR 12 -0.546 -7.958 -0.065
117 HE1 TYR 12 1HE TYR 12 3.350 -10.307 1.799
118 HE2 TYR 12 2HE TYR 12 -0.596 -10.396 0.176
119 HH TYR 12 HH TYR 12 2.205 -12.233 0.907
120 H TYR 13 H TYR 13 -0.524 -3.674 2.375
121 HA TYR 13 HA TYR 13 -0.501 -5.285 4.749
122 1HB TYR 13 2HB TYR 13 -0.666 -3.324 5.981
123 2HB TYR 13 1HB TYR 13 0.190 -2.792 4.540
124 HD1 TYR 13 1HD TYR 13 -2.587 -2.214 6.675
125 HD2 TYR 13 2HD TYR 13 -1.248 -1.738 2.675
126 HE1 TYR 13 1HE TYR 13 -4.276 -0.460 6.324
127 HE2 TYR 13 2HE TYR 13 -2.925 0.015 2.307
128 HH TYR 13 HH TYR 13 -5.517 0.465 4.029
129 H ARG 14 H ARG 14 -2.930 -3.606 2.797
130 HA ARG 14 HA ARG 14 -5.062 -4.906 4.329
131 1HB ARG 14 2HB ARG 14 -4.880 -2.524 2.579
132 2HB ARG 14 1HB ARG 14 -6.375 -3.443 2.467
133 1HG ARG 14 2HG ARG 14 -5.253 -2.515 5.088
134 2HG ARG 14 1HG ARG 14 -6.339 -1.524 4.111
135 1HD ARG 14 2HD ARG 14 -8.141 -2.785 4.605
136 2HD ARG 14 1HD ARG 14 -7.226 -4.289 4.582
137 HE ARG 14 HE ARG 14 -7.499 -2.454 6.857
138 1HH1 ARG 14 1HH1 ARG 14 -6.443 -5.533 5.577
139 2HH1 ARG 14 2HH1 ARG 14 -6.163 -6.221 7.139
140 1HH2 ARG 14 1HH2 ARG 14 -7.125 -3.365 8.905
141 2HH2 ARG 14 2HH2 ARG 14 -6.548 -4.995 9.025
142 H ARG 15 H ARG 15 -3.215 -5.272 1.533
143 HA ARG 15 HA ARG 15 -5.169 -6.668 -0.064
144 1HB ARG 15 2HB ARG 15 -3.169 -5.317 -0.915
145 2HB ARG 15 1HB ARG 15 -2.179 -6.677 -0.408
146 1HG ARG 15 2HG ARG 15 -2.607 -6.843 -2.748
147 2HG ARG 15 1HG ARG 15 -3.462 -8.140 -1.911
148 1HD ARG 15 2HD ARG 15 -5.278 -7.479 -3.033
149 2HD ARG 15 1HD ARG 15 -5.300 -6.079 -1.961
150 HE ARG 15 HE ARG 15 -4.811 -4.808 -3.777
151 1HH1 ARG 15 1HH1 ARG 15 -3.587 -8.023 -4.366
152 2HH1 ARG 15 2HH1 ARG 15 -3.012 -7.646 -5.955
153 1HH2 ARG 15 1HH2 ARG 15 -4.056 -4.312 -5.867
154 2HH2 ARG 15 2HH2 ARG 15 -3.278 -5.541 -6.808
155 H TYR 16 H TYR 16 -5.829 -8.370 1.342
156 HA TYR 16 HA TYR 16 -3.756 -10.320 2.032
157 1HB TYR 16 2HB TYR 16 -5.338 -9.509 3.807
158 2HB TYR 16 1HB TYR 16 -6.646 -10.288 2.923
159 HD1 TYR 16 1HD TYR 16 -3.193 -11.301 3.960
160 HD2 TYR 16 2HD TYR 16 -7.343 -12.238 3.925
161 HE1 TYR 16 1HE TYR 16 -2.721 -13.411 5.129
162 HE2 TYR 16 2HE TYR 16 -6.881 -14.351 5.094
163 HH TYR 16 HH TYR 16 -4.017 -15.776 5.256
164 H ARG 17 H ARG 17 -3.842 -12.449 1.374
165 HA ARG 17 HA ARG 17 -5.444 -12.930 -1.018
166 1HB ARG 17 2HB ARG 17 -3.958 -14.880 -1.345
167 2HB ARG 17 1HB ARG 17 -3.071 -13.367 -1.216
168 1HG ARG 17 2HG ARG 17 -3.193 -14.313 1.390
169 2HG ARG 17 1HG ARG 17 -2.910 -15.751 0.407
170 1HD ARG 17 2HD ARG 17 -0.869 -15.020 -0.323
171 2HD ARG 17 1HD ARG 17 -1.304 -13.318 -0.175
172 HE ARG 17 HE ARG 17 -0.155 -15.007 1.860
173 1HH1 ARG 17 1HH1 ARG 17 -1.931 -12.070 1.212
174 2HH1 ARG 17 2HH1 ARG 17 -1.488 -11.326 2.711
175 1HH2 ARG 17 1HH2 ARG 17 0.427 -14.026 3.829
176 2HH2 ARG 17 2HH2 ARG 17 -0.150 -12.434 4.196
Start of MODEL 21
1 1H LYS 1 1HT LYS 1 -2.976 -0.132 -6.794
2 2H LYS 1 2HT LYS 1 -4.680 0.018 -6.950
3 3H LYS 1 3HT LYS 1 -4.005 -0.704 -5.547
4 HA LYS 1 HA LYS 1 -2.846 1.465 -5.182
5 1HB LYS 1 2HB LYS 1 -4.264 1.942 -7.638
6 2HB LYS 1 1HB LYS 1 -4.833 3.062 -6.409
7 1HG LYS 1 2HG LYS 1 -3.096 4.235 -7.341
8 2HG LYS 1 1HG LYS 1 -2.298 3.453 -5.975
9 1HD LYS 1 2HD LYS 1 -1.202 1.920 -7.325
10 2HD LYS 1 1HD LYS 1 -2.355 2.111 -8.648
11 1HE LYS 1 2HE LYS 1 -0.682 3.340 -9.541
12 2HE LYS 1 1HE LYS 1 -1.386 4.607 -8.538
13 1HZ LYS 1 1HZ LYS 1 0.730 4.773 -7.825
14 2HZ LYS 1 2HZ LYS 1 1.127 3.179 -8.230
15 3HZ LYS 1 3HZ LYS 1 0.282 3.502 -6.802
16 H TRP 2 H TRP 2 -3.484 1.618 -3.120
17 HA TRP 2 HA TRP 2 -6.086 0.938 -2.242
18 1HB TRP 2 2HB TRP 2 -3.890 0.800 -0.977
19 2HB TRP 2 1HB TRP 2 -3.992 2.534 -0.759
20 HD1 TRP 2 HD TRP 2 -3.843 0.670 1.720
21 HE1 TRP 2 1HE TRP 2 -5.718 0.633 3.436
22 HE3 TRP 2 3HE TRP 2 -7.688 2.336 -1.231
23 HZ2 TRP 2 2HZ TRP 2 -8.487 1.189 3.545
24 HZ3 TRP 2 3HZ TRP 2 -9.904 2.546 -0.240
25 HH2 TRP 2 HH TRP 2 -10.311 1.978 2.100
26 H TYR 3 H TYR 3 -5.049 3.914 -0.852
27 HA TYR 3 HA TYR 3 -6.480 5.644 -2.590
28 1HB TYR 3 2HB TYR 3 -8.447 6.034 -1.372
29 2HB TYR 3 1HB TYR 3 -8.252 4.290 -1.404
30 HD1 TYR 3 1HD TYR 3 -9.786 6.299 0.534
31 HD2 TYR 3 2HD TYR 3 -6.204 4.021 0.800
32 HE1 TYR 3 1HE TYR 3 -10.032 6.213 2.978
33 HE2 TYR 3 2HE TYR 3 -6.443 3.925 3.245
34 HH TYR 3 HH TYR 3 -8.627 4.122 4.894
35 H PHE 4 H PHE 4 -7.357 7.327 -0.236
36 HA PHE 4 HA PHE 4 -6.222 9.448 0.027
37 1HB PHE 4 2HB PHE 4 -5.982 9.585 2.381
38 2HB PHE 4 1HB PHE 4 -7.404 8.620 1.988
39 HD1 PHE 4 1HD PHE 4 -4.829 6.459 1.338
40 HD2 PHE 4 2HD PHE 4 -6.678 8.407 4.636
41 HE1 PHE 4 1HE PHE 4 -3.969 4.716 2.842
42 HE2 PHE 4 2HE PHE 4 -5.828 6.664 6.145
43 HZ PHE 4 HZ PHE 4 -4.467 4.816 5.251
44 H ARG 5 H ARG 5 -4.276 8.840 -1.425
45 HA ARG 5 HA ARG 5 -2.118 10.059 -0.578
46 1HB ARG 5 2HB ARG 5 -0.492 8.159 0.021
47 2HB ARG 5 1HB ARG 5 -1.568 8.749 1.272
48 1HG ARG 5 2HG ARG 5 -2.014 6.595 1.623
49 2HG ARG 5 1HG ARG 5 -3.016 6.711 0.182
50 1HD ARG 5 2HD ARG 5 -0.327 6.306 -0.628
51 2HD ARG 5 1HD ARG 5 -0.719 5.114 0.607
52 HE ARG 5 HE ARG 5 -2.777 5.266 -1.335
53 1HH1 ARG 5 1HH1 ARG 5 0.435 4.017 -0.804
54 2HH1 ARG 5 2HH1 ARG 5 0.276 2.763 -1.986
55 1HH2 ARG 5 1HH2 ARG 5 -2.985 3.625 -2.896
56 2HH2 ARG 5 2HH2 ARG 5 -1.663 2.541 -3.177
57 H VAL 6 H VAL 6 -2.800 6.877 -1.863
58 HA VAL 6 HA VAL 6 -2.029 5.723 -3.673
59 HB VAL 6 HB VAL 6 -3.853 6.763 -4.690
60 1HG1 VAL 6 1HG1 VAL 6 -3.683 8.962 -3.837
61 2HG1 VAL 6 2HG1 VAL 6 -3.758 9.084 -5.595
62 3HG1 VAL 6 3HG1 VAL 6 -2.214 9.279 -4.763
63 1HG2 VAL 6 1HG2 VAL 6 -1.949 7.733 -6.723
64 2HG2 VAL 6 2HG2 VAL 6 -3.284 6.589 -6.867
65 3HG2 VAL 6 3HG2 VAL 6 -1.739 6.061 -6.199
66 H TYR 7 H TYR 7 0.204 6.249 -2.505
67 HA TYR 7 HA TYR 7 1.969 7.427 -4.544
68 1HB TYR 7 2HB TYR 7 3.664 7.513 -2.619
69 2HB TYR 7 1HB TYR 7 2.355 8.683 -2.603
70 HD1 TYR 7 1HD TYR 7 2.420 5.112 -1.468
71 HD2 TYR 7 2HD TYR 7 1.973 9.202 -0.389
72 HE1 TYR 7 1HE TYR 7 1.845 4.439 0.822
73 HE2 TYR 7 2HE TYR 7 1.399 8.539 1.906
74 HH TYR 7 HH TYR 7 0.424 6.466 3.034
75 H TYR 8 H TYR 8 0.922 4.576 -3.156
76 HA TYR 8 HA TYR 8 3.138 3.086 -4.343
77 1HB TYR 8 2HB TYR 8 3.817 2.845 -2.133
78 2HB TYR 8 1HB TYR 8 2.175 2.979 -1.510
79 HD1 TYR 8 1HD TYR 8 3.680 0.717 -4.036
80 HD2 TYR 8 2HD TYR 8 1.714 1.014 -0.272
81 HE1 TYR 8 1HE TYR 8 3.486 -1.711 -3.966
82 HE2 TYR 8 2HE TYR 8 1.567 -1.441 -0.168
83 HH TYR 8 HH TYR 8 2.216 -3.441 -2.876
84 H ARG 9 H ARG 9 2.543 1.077 -5.200
85 HA ARG 9 HA ARG 9 0.268 0.650 -6.469
86 1HB ARG 9 2HB ARG 9 1.161 -1.331 -6.981
87 2HB ARG 9 1HB ARG 9 2.468 -0.894 -5.895
88 1HG ARG 9 2HG ARG 9 1.877 -3.007 -5.176
89 2HG ARG 9 1HG ARG 9 0.998 -1.960 -4.059
90 1HD ARG 9 2HD ARG 9 -0.979 -2.705 -4.768
91 2HD ARG 9 1HD ARG 9 -0.523 -2.531 -6.462
92 HE ARG 9 HE ARG 9 -0.622 -4.935 -4.997
93 1HH1 ARG 9 1HH1 ARG 9 1.353 -3.287 -7.355
94 2HH1 ARG 9 2HH1 ARG 9 1.967 -4.751 -8.047
95 1HH2 ARG 9 1HH2 ARG 9 0.188 -6.861 -5.904
96 2HH2 ARG 9 2HH2 ARG 9 1.307 -6.779 -7.224
97 H GLY 10 H GLY 10 0.671 0.060 -3.045
98 1HA GLY 10 2HA GLY 10 -2.185 0.129 -2.703
99 2HA GLY 10 1HA GLY 10 -1.461 -1.435 -2.350
100 H ILE 11 H ILE 11 -0.674 -1.765 -0.423
101 HA ILE 11 HA ILE 11 0.655 0.032 1.264
102 HB ILE 11 HB ILE 11 -2.308 -0.066 1.560
103 1HG1 ILE 11 2HG1 ILE 11 -1.268 2.172 2.868
104 2HG1 ILE 11 1HG1 ILE 11 -0.257 1.964 1.435
105 1HG2 ILE 11 1HG2 ILE 11 -1.755 -1.170 3.584
106 2HG2 ILE 11 2HG2 ILE 11 -2.079 0.507 4.005
107 3HG2 ILE 11 3HG2 ILE 11 -0.416 -0.071 3.900
108 1HD1 ILE 11 1HD1 ILE 11 -3.060 2.765 1.692
109 2HD1 ILE 11 2HD1 ILE 11 -2.710 1.626 0.394
110 3HD1 ILE 11 3HD1 ILE 11 -1.865 3.171 0.460
111 H TYR 12 H TYR 12 -1.560 -2.651 0.974
112 HA TYR 12 HA TYR 12 -1.421 -4.825 1.634
113 1HB TYR 12 2HB TYR 12 1.242 -3.966 1.897
114 2HB TYR 12 1HB TYR 12 0.846 -4.760 3.417
115 HD1 TYR 12 1HD TYR 12 0.705 -7.119 3.546
116 HD2 TYR 12 2HD TYR 12 0.917 -5.225 -0.258
117 HE1 TYR 12 1HE TYR 12 1.031 -9.311 2.478
118 HE2 TYR 12 2HE TYR 12 1.244 -7.411 -1.335
119 HH TYR 12 HH TYR 12 0.489 -10.070 -0.367
120 H TYR 13 H TYR 13 -2.762 -2.676 2.935
121 HA TYR 13 HA TYR 13 -2.532 -2.929 5.756
122 1HB TYR 13 2HB TYR 13 -4.416 -1.467 5.901
123 2HB TYR 13 1HB TYR 13 -3.431 -0.902 4.561
124 HD1 TYR 13 1HD TYR 13 -6.687 -1.803 5.599
125 HD2 TYR 13 2HD TYR 13 -4.148 -1.719 2.184
126 HE1 TYR 13 1HE TYR 13 -8.661 -1.891 4.135
127 HE2 TYR 13 2HE TYR 13 -6.114 -1.812 0.714
128 HH TYR 13 HH TYR 13 -8.993 -1.031 1.441
129 H ARG 14 H ARG 14 -4.877 -4.073 3.354
130 HA ARG 14 HA ARG 14 -5.996 -5.887 5.379
131 1HB ARG 14 2HB ARG 14 -7.303 -4.266 3.650
132 2HB ARG 14 1HB ARG 14 -7.256 -5.750 2.709
133 1HG ARG 14 2HG ARG 14 -9.256 -5.938 3.838
134 2HG ARG 14 1HG ARG 14 -8.157 -6.860 4.867
135 1HD ARG 14 2HD ARG 14 -8.856 -3.963 5.308
136 2HD ARG 14 1HD ARG 14 -9.677 -5.308 6.100
137 HE ARG 14 HE ARG 14 -7.084 -4.243 6.730
138 1HH1 ARG 14 1HH1 ARG 14 -9.134 -7.063 6.903
139 2HH1 ARG 14 2HH1 ARG 14 -8.290 -7.748 8.251
140 1HH2 ARG 14 1HH2 ARG 14 -5.973 -5.144 8.502
141 2HH2 ARG 14 2HH2 ARG 14 -6.496 -6.659 9.159
142 H ARG 15 H ARG 15 -3.436 -6.204 3.770
143 HA ARG 15 HA ARG 15 -4.072 -8.711 2.382
144 1HB ARG 15 2HB ARG 15 -1.682 -6.875 2.274
145 2HB ARG 15 1HB ARG 15 -1.659 -8.489 1.576
146 1HG ARG 15 2HG ARG 15 -3.498 -6.233 0.803
147 2HG ARG 15 1HG ARG 15 -2.128 -6.843 -0.127
148 1HD ARG 15 2HD ARG 15 -3.750 -9.068 0.447
149 2HD ARG 15 1HD ARG 15 -4.841 -7.777 -0.059
150 HE ARG 15 HE ARG 15 -3.030 -9.231 -1.707
151 1HH1 ARG 15 1HH1 ARG 15 -4.520 -6.104 -1.286
152 2HH1 ARG 15 2HH1 ARG 15 -4.398 -5.680 -2.960
153 1HH2 ARG 15 1HH2 ARG 15 -2.869 -8.677 -3.911
154 2HH2 ARG 15 2HH2 ARG 15 -3.461 -7.141 -4.451
155 H TYR 16 H TYR 16 -1.244 -7.554 4.203
156 HA TYR 16 HA TYR 16 0.115 -8.598 5.703
157 1HB TYR 16 2HB TYR 16 -2.356 -8.353 6.799
158 2HB TYR 16 1HB TYR 16 -2.109 -10.090 6.949
159 HD1 TYR 16 1HD TYR 16 -1.698 -10.459 9.213
160 HD2 TYR 16 2HD TYR 16 0.356 -7.307 7.225
161 HE1 TYR 16 1HE TYR 16 -0.327 -10.093 11.221
162 HE2 TYR 16 2HE TYR 16 1.732 -6.933 9.229
163 HH TYR 16 HH TYR 16 1.683 -7.341 11.599
164 H ARG 17 H ARG 17 1.375 -10.020 4.603
165 HA ARG 17 HA ARG 17 0.591 -12.389 3.384
166 1HB ARG 17 2HB ARG 17 2.987 -11.019 3.781
167 2HB ARG 17 1HB ARG 17 3.258 -12.590 4.520
168 1HG ARG 17 2HG ARG 17 3.956 -12.529 2.175
169 2HG ARG 17 1HG ARG 17 2.668 -13.702 2.455
170 1HD ARG 17 2HD ARG 17 1.143 -12.522 1.253
171 2HD ARG 17 1HD ARG 17 1.853 -10.965 1.679
172 HE ARG 17 HE ARG 17 2.466 -12.580 -0.611
173 1HH1 ARG 17 1HH1 ARG 17 3.694 -10.144 1.566
174 2HH1 ARG 17 2HH1 ARG 17 4.841 -9.525 0.425
175 1HH2 ARG 17 1HH2 ARG 17 3.976 -11.766 -2.112
176 2HH2 ARG 17 2HH2 ARG 17 5.001 -10.445 -1.662
Start of MODEL 22
1 1H LYS 1 1HT LYS 1 -1.326 2.447 -5.315
2 2H LYS 1 2HT LYS 1 -2.475 1.208 -5.619
3 3H LYS 1 3HT LYS 1 -2.153 1.707 -4.010
4 HA LYS 1 HA LYS 1 -2.919 3.953 -4.694
5 1HB LYS 1 2HB LYS 1 -2.721 3.553 -7.101
6 2HB LYS 1 1HB LYS 1 -3.915 2.269 -7.006
7 1HG LYS 1 2HG LYS 1 -5.672 3.766 -6.640
8 2HG LYS 1 1HG LYS 1 -4.580 5.081 -6.212
9 1HD LYS 1 2HD LYS 1 -4.873 3.836 -8.947
10 2HD LYS 1 1HD LYS 1 -5.541 5.388 -8.446
11 1HE LYS 1 2HE LYS 1 -2.724 5.285 -7.878
12 2HE LYS 1 1HE LYS 1 -3.020 4.885 -9.567
13 1HZ LYS 1 1HZ LYS 1 -2.717 7.326 -8.942
14 2HZ LYS 1 2HZ LYS 1 -4.288 7.241 -8.321
15 3HZ LYS 1 3HZ LYS 1 -4.010 6.930 -9.959
16 H TRP 2 H TRP 2 -3.470 2.118 -2.682
17 HA TRP 2 HA TRP 2 -6.191 1.317 -3.047
18 1HB TRP 2 2HB TRP 2 -6.064 -0.028 -1.216
19 2HB TRP 2 1HB TRP 2 -4.428 -0.055 -1.842
20 HD1 TRP 2 HD TRP 2 -5.164 -0.824 1.119
21 HE1 TRP 2 1HE TRP 2 -4.045 0.432 3.063
22 HE3 TRP 2 3HE TRP 2 -3.872 3.454 -1.331
23 HZ2 TRP 2 2HZ TRP 2 -2.776 2.883 3.497
24 HZ3 TRP 2 3HZ TRP 2 -2.713 5.203 -0.075
25 HH2 TRP 2 HH TRP 2 -2.184 4.924 2.295
26 H TYR 3 H TYR 3 -5.368 4.205 -2.826
27 HA TYR 3 HA TYR 3 -7.106 5.767 -2.558
28 1HB TYR 3 2HB TYR 3 -8.479 5.924 -0.702
29 2HB TYR 3 1HB TYR 3 -8.338 4.225 -1.100
30 HD1 TYR 3 1HD TYR 3 -9.303 5.440 1.522
31 HD2 TYR 3 2HD TYR 3 -5.508 4.056 0.250
32 HE1 TYR 3 1HE TYR 3 -8.728 4.900 3.843
33 HE2 TYR 3 2HE TYR 3 -4.921 3.495 2.546
34 HH TYR 3 HH TYR 3 -6.813 4.517 5.234
35 H PHE 4 H PHE 4 -7.285 7.330 -0.218
36 HA PHE 4 HA PHE 4 -6.293 9.467 -0.281
37 1HB PHE 4 2HB PHE 4 -5.695 9.830 1.919
38 2HB PHE 4 1HB PHE 4 -6.780 8.453 1.947
39 HD1 PHE 4 1HD PHE 4 -3.509 9.703 2.768
40 HD2 PHE 4 2HD PHE 4 -5.866 6.209 2.314
41 HE1 PHE 4 1HE PHE 4 -1.892 8.453 4.138
42 HE2 PHE 4 2HE PHE 4 -4.247 4.926 3.683
43 HZ PHE 4 HZ PHE 4 -2.262 6.061 4.597
44 H ARG 5 H ARG 5 -3.376 7.561 0.734
45 HA ARG 5 HA ARG 5 -1.746 9.638 -0.337
46 1HB ARG 5 2HB ARG 5 0.056 7.671 -0.132
47 2HB ARG 5 1HB ARG 5 -0.440 8.687 1.208
48 1HG ARG 5 2HG ARG 5 -1.166 6.931 2.327
49 2HG ARG 5 1HG ARG 5 -2.188 6.423 0.985
50 1HD ARG 5 2HD ARG 5 0.766 5.924 1.074
51 2HD ARG 5 1HD ARG 5 -0.399 4.784 1.733
52 HE ARG 5 HE ARG 5 -0.903 5.563 -0.995
53 1HH1 ARG 5 1HH1 ARG 5 0.725 3.286 1.091
54 2HH1 ARG 5 2HH1 ARG 5 0.867 2.082 -0.141
55 1HH2 ARG 5 1HH2 ARG 5 -0.758 3.965 -2.592
56 2HH2 ARG 5 2HH2 ARG 5 0.010 2.457 -2.226
57 H VAL 6 H VAL 6 -2.535 6.415 -1.482
58 HA VAL 6 HA VAL 6 -2.146 5.362 -3.462
59 HB VAL 6 HB VAL 6 -4.018 6.545 -4.175
60 1HG1 VAL 6 1HG1 VAL 6 -3.566 8.686 -3.198
61 2HG1 VAL 6 2HG1 VAL 6 -3.993 8.897 -4.896
62 3HG1 VAL 6 3HG1 VAL 6 -2.308 9.008 -4.392
63 1HG2 VAL 6 1HG2 VAL 6 -2.138 7.474 -6.303
64 2HG2 VAL 6 2HG2 VAL 6 -3.734 6.742 -6.459
65 3HG2 VAL 6 3HG2 VAL 6 -2.349 5.751 -5.995
66 H TYR 7 H TYR 7 0.215 6.954 -2.321
67 HA TYR 7 HA TYR 7 1.761 7.738 -4.617
68 1HB TYR 7 2HB TYR 7 3.461 8.288 -3.088
69 2HB TYR 7 1HB TYR 7 1.996 8.543 -2.142
70 HD1 TYR 7 1HD TYR 7 1.159 6.163 -1.072
71 HD2 TYR 7 2HD TYR 7 5.175 7.288 -1.890
72 HE1 TYR 7 1HE TYR 7 1.944 4.497 0.563
73 HE2 TYR 7 2HE TYR 7 5.979 5.653 -0.236
74 HH TYR 7 HH TYR 7 4.277 4.377 2.076
75 H TYR 8 H TYR 8 0.991 4.833 -3.045
76 HA TYR 8 HA TYR 8 3.115 3.359 -4.472
77 1HB TYR 8 2HB TYR 8 3.645 3.242 -2.145
78 2HB TYR 8 1HB TYR 8 1.973 2.932 -1.708
79 HD1 TYR 8 1HD TYR 8 0.978 0.678 -2.098
80 HD2 TYR 8 2HD TYR 8 5.093 1.498 -2.844
81 HE1 TYR 8 1HE TYR 8 1.453 -1.729 -2.123
82 HE2 TYR 8 2HE TYR 8 5.575 -0.916 -2.863
83 HH TYR 8 HH TYR 8 3.820 -3.135 -3.410
84 H ARG 9 H ARG 9 2.447 0.984 -4.782
85 HA ARG 9 HA ARG 9 -0.008 0.932 -6.177
86 1HB ARG 9 2HB ARG 9 0.450 -1.499 -6.462
87 2HB ARG 9 1HB ARG 9 1.798 -0.473 -6.918
88 1HG ARG 9 2HG ARG 9 2.819 -0.931 -4.703
89 2HG ARG 9 1HG ARG 9 1.524 -2.090 -4.399
90 1HD ARG 9 2HD ARG 9 2.847 -2.468 -6.973
91 2HD ARG 9 1HD ARG 9 3.936 -2.638 -5.599
92 HE ARG 9 HE ARG 9 2.792 -4.538 -4.944
93 1HH1 ARG 9 1HH1 ARG 9 1.110 -2.985 -7.582
94 2HH1 ARG 9 2HH1 ARG 9 0.075 -4.339 -7.879
95 1HH2 ARG 9 1HH2 ARG 9 1.431 -6.317 -5.341
96 2HH2 ARG 9 2HH2 ARG 9 0.255 -6.229 -6.609
97 H GLY 10 H GLY 10 -0.804 -1.818 -5.264
98 1HA GLY 10 2HA GLY 10 -2.713 -0.905 -3.351
99 2HA GLY 10 1HA GLY 10 -2.640 -2.506 -4.061
100 H ILE 11 H ILE 11 -0.537 -0.565 -1.982
101 HA ILE 11 HA ILE 11 0.878 -1.402 -0.278
102 HB ILE 11 HB ILE 11 -1.975 -1.286 0.677
103 1HG1 ILE 11 2HG1 ILE 11 -0.882 0.739 1.894
104 2HG1 ILE 11 1HG1 ILE 11 0.414 0.533 0.725
105 1HG2 ILE 11 1HG2 ILE 11 -1.264 -2.576 2.401
106 2HG2 ILE 11 2HG2 ILE 11 -0.648 -1.029 2.981
107 3HG2 ILE 11 3HG2 ILE 11 0.433 -2.157 2.162
108 1HD1 ILE 11 1HD1 ILE 11 -2.327 0.667 -0.384
109 2HD1 ILE 11 2HD1 ILE 11 -0.811 1.361 -0.968
110 3HD1 ILE 11 3HD1 ILE 11 -1.679 2.147 0.350
111 H TYR 12 H TYR 12 -1.973 -3.272 0.512
112 HA TYR 12 HA TYR 12 -1.301 -5.818 -0.243
113 1HB TYR 12 2HB TYR 12 0.656 -6.065 0.924
114 2HB TYR 12 1HB TYR 12 0.208 -4.875 2.137
115 HD1 TYR 12 1HD TYR 12 -0.755 -5.539 4.204
116 HD2 TYR 12 2HD TYR 12 -0.229 -8.394 1.096
117 HE1 TYR 12 1HE TYR 12 -1.268 -7.348 5.789
118 HE2 TYR 12 2HE TYR 12 -0.742 -10.212 2.670
119 HH TYR 12 HH TYR 12 -2.034 -9.630 5.795
120 H TYR 13 H TYR 13 -3.140 -3.605 1.358
121 HA TYR 13 HA TYR 13 -4.540 -4.768 3.344
122 1HB TYR 13 2HB TYR 13 -6.340 -3.300 2.856
123 2HB TYR 13 1HB TYR 13 -4.873 -2.469 2.358
124 HD1 TYR 13 1HD TYR 13 -8.131 -3.414 1.398
125 HD2 TYR 13 2HD TYR 13 -4.239 -2.713 -0.178
126 HE1 TYR 13 1HE TYR 13 -9.102 -3.067 -0.834
127 HE2 TYR 13 2HE TYR 13 -5.201 -2.368 -2.415
128 HH TYR 13 HH TYR 13 -8.598 -2.057 -2.928
129 H ARG 14 H ARG 14 -5.137 -5.263 -0.124
130 HA ARG 14 HA ARG 14 -6.857 -7.548 0.586
131 1HB ARG 14 2HB ARG 14 -7.409 -5.349 -1.061
132 2HB ARG 14 1HB ARG 14 -7.140 -6.692 -2.161
133 1HG ARG 14 2HG ARG 14 -9.456 -6.630 -1.693
134 2HG ARG 14 1HG ARG 14 -8.791 -8.007 -0.812
135 1HD ARG 14 2HD ARG 14 -9.709 -7.185 1.037
136 2HD ARG 14 1HD ARG 14 -8.582 -5.832 0.932
137 HE ARG 14 HE ARG 14 -10.585 -5.082 -0.716
138 1HH1 ARG 14 1HH1 ARG 14 -10.519 -6.215 2.585
139 2HH1 ARG 14 2HH1 ARG 14 -11.928 -5.321 3.052
140 1HH2 ARG 14 1HH2 ARG 14 -12.437 -3.906 -0.104
141 2HH2 ARG 14 2HH2 ARG 14 -13.017 -4.012 1.525
142 H ARG 15 H ARG 15 -3.922 -7.513 0.302
143 HA ARG 15 HA ARG 15 -3.364 -8.861 -2.185
144 1HB ARG 15 2HB ARG 15 -1.819 -7.767 0.055
145 2HB ARG 15 1HB ARG 15 -1.157 -9.260 -0.590
146 1HG ARG 15 2HG ARG 15 -0.334 -7.029 -1.552
147 2HG ARG 15 1HG ARG 15 -0.741 -8.330 -2.672
148 1HD ARG 15 2HD ARG 15 -2.944 -6.502 -1.970
149 2HD ARG 15 1HD ARG 15 -1.632 -5.792 -2.909
150 HE ARG 15 HE ARG 15 -2.598 -8.294 -3.951
151 1HH1 ARG 15 1HH1 ARG 15 -3.032 -4.831 -3.947
152 2HH1 ARG 15 2HH1 ARG 15 -3.815 -4.803 -5.491
153 1HH2 ARG 15 1HH2 ARG 15 -3.625 -8.259 -5.981
154 2HH2 ARG 15 2HH2 ARG 15 -4.153 -6.749 -6.647
155 H TYR 16 H TYR 16 -2.242 -10.012 0.958
156 HA TYR 16 HA TYR 16 -2.063 -12.142 1.766
157 1HB TYR 16 2HB TYR 16 -4.658 -11.278 1.894
158 2HB TYR 16 1HB TYR 16 -4.839 -12.837 1.095
159 HD1 TYR 16 1HD TYR 16 -5.745 -14.238 2.724
160 HD2 TYR 16 2HD TYR 16 -2.406 -11.797 3.719
161 HE1 TYR 16 1HE TYR 16 -5.569 -15.375 4.898
162 HE2 TYR 16 2HE TYR 16 -2.220 -12.927 5.894
163 HH TYR 16 HH TYR 16 -3.645 -14.202 7.437
164 H ARG 17 H ARG 17 -1.434 -11.894 -1.067
165 HA ARG 17 HA ARG 17 -0.928 -13.219 -2.846
166 1HB ARG 17 2HB ARG 17 -1.511 -15.419 -0.857
167 2HB ARG 17 1HB ARG 17 -0.742 -15.659 -2.419
168 1HG ARG 17 2HG ARG 17 0.336 -14.063 -0.107
169 2HG ARG 17 1HG ARG 17 0.927 -15.620 -0.690
170 1HD ARG 17 2HD ARG 17 1.535 -14.587 -2.824
171 2HD ARG 17 1HD ARG 17 0.945 -13.032 -2.240
172 HE ARG 17 HE ARG 17 3.469 -14.223 -1.675
173 1HH1 ARG 17 1HH1 ARG 17 0.989 -12.169 -0.330
174 2HH1 ARG 17 2HH1 ARG 17 2.074 -11.345 0.738
175 1HH2 ARG 17 1HH2 ARG 17 4.899 -13.138 -0.271
176 2HH2 ARG 17 2HH2 ARG 17 4.295 -11.895 0.771
Start of MODEL 23
1 1H LYS 1 1HT LYS 1 -2.206 2.709 -0.704
2 2H LYS 1 2HT LYS 1 -0.687 2.374 -1.424
3 3H LYS 1 3HT LYS 1 -2.013 1.317 -1.683
4 HA LYS 1 HA LYS 1 -1.837 4.112 -2.554
5 1HB LYS 1 2HB LYS 1 -0.363 3.035 -3.939
6 2HB LYS 1 1HB LYS 1 -1.158 1.485 -3.744
7 1HG LYS 1 2HG LYS 1 -1.443 2.119 -5.998
8 2HG LYS 1 1HG LYS 1 -3.003 2.364 -5.219
9 1HD LYS 1 2HD LYS 1 -2.844 4.660 -5.333
10 2HD LYS 1 1HD LYS 1 -1.080 4.639 -5.350
11 1HE LYS 1 2HE LYS 1 -2.512 3.415 -7.646
12 2HE LYS 1 1HE LYS 1 -2.505 5.173 -7.523
13 1HZ LYS 1 1HZ LYS 1 0.060 4.658 -7.102
14 2HZ LYS 1 2HZ LYS 1 -0.583 4.921 -8.644
15 3HZ LYS 1 3HZ LYS 1 -0.319 3.343 -8.098
16 H TRP 2 H TRP 2 -3.928 1.734 -1.452
17 HA TRP 2 HA TRP 2 -5.882 1.650 -3.360
18 1HB TRP 2 2HB TRP 2 -7.511 1.673 -1.204
19 2HB TRP 2 1HB TRP 2 -6.721 0.268 -1.863
20 HD1 TRP 2 HD TRP 2 -7.077 -0.844 0.498
21 HE1 TRP 2 1HE TRP 2 -5.757 -0.709 2.700
22 HE3 TRP 2 3HE TRP 2 -4.262 3.342 -0.399
23 HZ2 TRP 2 2HZ TRP 2 -3.821 0.870 3.893
24 HZ3 TRP 2 3HZ TRP 2 -2.700 4.063 1.340
25 HH2 TRP 2 HH TRP 2 -2.478 2.867 3.440
26 H TYR 3 H TYR 3 -5.865 4.130 -0.718
27 HA TYR 3 HA TYR 3 -7.445 5.781 -2.531
28 1HB TYR 3 2HB TYR 3 -8.535 6.308 -0.073
29 2HB TYR 3 1HB TYR 3 -9.216 5.268 -1.305
30 HD1 TYR 3 1HD TYR 3 -6.324 4.682 1.004
31 HD2 TYR 3 2HD TYR 3 -10.260 3.532 -0.170
32 HE1 TYR 3 1HE TYR 3 -6.201 2.735 2.500
33 HE2 TYR 3 2HE TYR 3 -10.153 1.603 1.349
34 HH TYR 3 HH TYR 3 -8.473 0.202 2.431
35 H PHE 4 H PHE 4 -6.921 6.527 0.845
36 HA PHE 4 HA PHE 4 -6.511 9.175 0.600
37 1HB PHE 4 2HB PHE 4 -5.589 9.160 2.862
38 2HB PHE 4 1HB PHE 4 -7.049 8.191 2.689
39 HD1 PHE 4 1HD PHE 4 -6.874 5.702 2.718
40 HD2 PHE 4 2HD PHE 4 -3.533 8.216 3.511
41 HE1 PHE 4 1HE PHE 4 -5.682 3.783 3.735
42 HE2 PHE 4 2HE PHE 4 -2.343 6.320 4.529
43 HZ PHE 4 HZ PHE 4 -3.415 4.109 4.643
44 H ARG 5 H ARG 5 -4.223 7.738 -1.102
45 HA ARG 5 HA ARG 5 -2.465 9.891 -0.659
46 1HB ARG 5 2HB ARG 5 -0.569 7.940 -0.126
47 2HB ARG 5 1HB ARG 5 -1.133 9.208 0.947
48 1HG ARG 5 2HG ARG 5 -1.620 7.504 2.319
49 2HG ARG 5 1HG ARG 5 -3.054 7.294 1.307
50 1HD ARG 5 2HD ARG 5 -0.418 5.978 0.802
51 2HD ARG 5 1HD ARG 5 -1.760 5.215 1.648
52 HE ARG 5 HE ARG 5 -1.478 5.471 -1.146
53 1HH1 ARG 5 1HH1 ARG 5 -3.862 5.672 1.388
54 2HH1 ARG 5 2HH1 ARG 5 -5.190 5.437 0.320
55 1HH2 ARG 5 1HH2 ARG 5 -3.236 5.229 -2.561
56 2HH2 ARG 5 2HH2 ARG 5 -4.835 5.215 -1.936
57 H VAL 6 H VAL 6 -2.789 6.719 -2.027
58 HA VAL 6 HA VAL 6 -1.819 5.700 -3.845
59 HB VAL 6 HB VAL 6 -3.560 6.490 -5.075
60 1HG1 VAL 6 1HG1 VAL 6 -4.022 8.907 -5.422
61 2HG1 VAL 6 2HG1 VAL 6 -2.638 9.255 -4.382
62 3HG1 VAL 6 3HG1 VAL 6 -4.030 8.386 -3.736
63 1HG2 VAL 6 1HG2 VAL 6 -1.304 6.593 -6.421
64 2HG2 VAL 6 2HG2 VAL 6 -1.663 8.319 -6.471
65 3HG2 VAL 6 3HG2 VAL 6 -2.811 7.160 -7.140
66 H TYR 7 H TYR 7 0.292 5.678 -3.164
67 HA TYR 7 HA TYR 7 2.114 7.388 -4.696
68 1HB TYR 7 2HB TYR 7 3.403 7.966 -2.765
69 2HB TYR 7 1HB TYR 7 1.721 8.283 -2.340
70 HD1 TYR 7 1HD TYR 7 0.451 6.312 -1.156
71 HD2 TYR 7 2HD TYR 7 4.697 6.675 -1.342
72 HE1 TYR 7 1HE TYR 7 0.680 4.689 0.708
73 HE2 TYR 7 2HE TYR 7 4.926 5.107 0.538
74 HH TYR 7 HH TYR 7 2.822 4.394 2.614
75 H TYR 8 H TYR 8 1.243 4.288 -3.819
76 HA TYR 8 HA TYR 8 3.932 3.284 -4.414
77 1HB TYR 8 2HB TYR 8 4.116 2.934 -2.208
78 2HB TYR 8 1HB TYR 8 2.387 3.035 -1.942
79 HD1 TYR 8 1HD TYR 8 1.125 1.134 -1.575
80 HD2 TYR 8 2HD TYR 8 5.099 0.753 -3.004
81 HE1 TYR 8 1HE TYR 8 1.054 -1.245 -1.079
82 HE2 TYR 8 2HE TYR 8 5.057 -1.656 -2.496
83 HH TYR 8 HH TYR 8 3.108 -3.065 -0.495
84 H ARG 9 H ARG 9 0.921 1.567 -3.525
85 HA ARG 9 HA ARG 9 -0.615 0.665 -5.063
86 1HB ARG 9 2HB ARG 9 -0.154 0.090 -7.261
87 2HB ARG 9 1HB ARG 9 0.810 1.532 -6.991
88 1HG ARG 9 2HG ARG 9 2.580 -0.404 -6.305
89 2HG ARG 9 1HG ARG 9 1.643 -1.224 -7.561
90 1HD ARG 9 2HD ARG 9 2.236 0.318 -9.184
91 2HD ARG 9 1HD ARG 9 2.616 1.562 -7.994
92 HE ARG 9 HE ARG 9 4.351 -0.738 -7.903
93 1HH1 ARG 9 1HH1 ARG 9 3.807 2.399 -9.335
94 2HH1 ARG 9 2HH1 ARG 9 5.475 2.649 -9.727
95 1HH2 ARG 9 1HH2 ARG 9 6.545 -0.410 -8.418
96 2HH2 ARG 9 2HH2 ARG 9 7.030 1.053 -9.207
97 H GLY 10 H GLY 10 2.428 -0.893 -4.228
98 1HA GLY 10 2HA GLY 10 1.630 -3.513 -4.776
99 2HA GLY 10 1HA GLY 10 2.778 -3.068 -3.532
100 H ILE 11 H ILE 11 -0.049 -1.480 -2.783
101 HA ILE 11 HA ILE 11 -0.577 -2.967 -0.488
102 HB ILE 11 HB ILE 11 -1.875 -0.721 -1.887
103 1HG1 ILE 11 2HG1 ILE 11 -1.460 -1.389 1.031
104 2HG1 ILE 11 1HG1 ILE 11 -0.382 -0.413 0.033
105 1HG2 ILE 11 1HG2 ILE 11 -3.870 -1.921 -1.830
106 2HG2 ILE 11 2HG2 ILE 11 -3.924 -0.889 -0.406
107 3HG2 ILE 11 3HG2 ILE 11 -3.527 -2.596 -0.239
108 1HD1 ILE 11 1HD1 ILE 11 -2.618 0.393 1.557
109 2HD1 ILE 11 2HD1 ILE 11 -2.984 0.699 -0.137
110 3HD1 ILE 11 3HD1 ILE 11 -1.531 1.398 0.599
111 H TYR 12 H TYR 12 -2.412 -4.212 0.082
112 HA TYR 12 HA TYR 12 -3.345 -5.936 -2.086
113 1HB TYR 12 2HB TYR 12 -2.390 -6.730 0.247
114 2HB TYR 12 1HB TYR 12 -4.029 -6.395 0.798
115 HD1 TYR 12 1HD TYR 12 -5.533 -8.142 0.765
116 HD2 TYR 12 2HD TYR 12 -2.304 -8.173 -2.004
117 HE1 TYR 12 1HE TYR 12 -6.263 -10.343 -0.053
118 HE2 TYR 12 2HE TYR 12 -3.024 -10.374 -2.829
119 HH TYR 12 HH TYR 12 -6.030 -11.696 -2.158
120 H TYR 13 H TYR 13 -4.318 -3.526 -2.345
121 HA TYR 13 HA TYR 13 -6.499 -2.676 -0.930
122 1HB TYR 13 2HB TYR 13 -7.161 -1.654 -3.272
123 2HB TYR 13 1HB TYR 13 -5.747 -1.098 -2.394
124 HD1 TYR 13 1HD TYR 13 -6.520 -3.845 -4.842
125 HD2 TYR 13 2HD TYR 13 -3.893 -0.712 -3.661
126 HE1 TYR 13 1HE TYR 13 -5.111 -4.312 -6.788
127 HE2 TYR 13 2HE TYR 13 -2.468 -1.174 -5.612
128 HH TYR 13 HH TYR 13 -3.443 -3.039 -8.206
129 H ARG 14 H ARG 14 -7.871 -3.024 -3.966
130 HA ARG 14 HA ARG 14 -10.140 -4.321 -3.198
131 1HB ARG 14 2HB ARG 14 -10.647 -3.768 -5.301
132 2HB ARG 14 1HB ARG 14 -8.951 -3.475 -5.644
133 1HG ARG 14 2HG ARG 14 -8.770 -5.976 -6.090
134 2HG ARG 14 1HG ARG 14 -10.535 -5.985 -6.087
135 1HD ARG 14 2HD ARG 14 -8.644 -4.967 -8.090
136 2HD ARG 14 1HD ARG 14 -10.284 -5.580 -8.290
137 HE ARG 14 HE ARG 14 -9.479 -2.839 -7.984
138 1HH1 ARG 14 1HH1 ARG 14 -12.099 -5.106 -7.582
139 2HH1 ARG 14 2HH1 ARG 14 -13.331 -3.891 -7.672
140 1HH2 ARG 14 1HH2 ARG 14 -11.093 -1.240 -8.104
141 2HH2 ARG 14 2HH2 ARG 14 -12.760 -1.695 -7.970
142 H ARG 15 H ARG 15 -7.042 -5.711 -3.848
143 HA ARG 15 HA ARG 15 -7.495 -8.299 -4.542
144 1HB ARG 15 2HB ARG 15 -5.603 -7.625 -2.297
145 2HB ARG 15 1HB ARG 15 -5.439 -8.880 -3.516
146 1HG ARG 15 2HG ARG 15 -5.601 -6.393 -4.863
147 2HG ARG 15 1HG ARG 15 -4.436 -6.224 -3.546
148 1HD ARG 15 2HD ARG 15 -3.156 -8.071 -4.348
149 2HD ARG 15 1HD ARG 15 -4.403 -8.502 -5.517
150 HE ARG 15 HE ARG 15 -3.657 -6.825 -6.915
151 1HH1 ARG 15 1HH1 ARG 15 -2.060 -6.579 -3.818
152 2HH1 ARG 15 2HH1 ARG 15 -0.881 -5.440 -4.378
153 1HH2 ARG 15 1HH2 ARG 15 -2.108 -5.327 -7.649
154 2HH2 ARG 15 2HH2 ARG 15 -0.908 -4.729 -6.551
155 H TYR 16 H TYR 16 -7.998 -6.860 -1.367
156 HA TYR 16 HA TYR 16 -8.574 -9.317 -0.039
157 1HB TYR 16 2HB TYR 16 -8.494 -6.477 0.638
158 2HB TYR 16 1HB TYR 16 -9.807 -7.328 1.446
159 HD1 TYR 16 1HD TYR 16 -6.914 -6.093 2.308
160 HD2 TYR 16 2HD TYR 16 -8.600 -9.978 1.904
161 HE1 TYR 16 1HE TYR 16 -5.323 -6.950 3.976
162 HE2 TYR 16 2HE TYR 16 -7.015 -10.846 3.572
163 HH TYR 16 HH TYR 16 -4.295 -9.155 4.577
164 H ARG 17 H ARG 17 -10.433 -10.410 0.132
165 HA ARG 17 HA ARG 17 -13.003 -9.229 -0.124
166 1HB ARG 17 2HB ARG 17 -13.488 -10.838 -2.192
167 2HB ARG 17 1HB ARG 17 -12.971 -9.173 -2.403
168 1HG ARG 17 2HG ARG 17 -11.694 -10.490 -3.892
169 2HG ARG 17 1HG ARG 17 -10.619 -10.026 -2.574
170 1HD ARG 17 2HD ARG 17 -11.263 -12.274 -1.520
171 2HD ARG 17 1HD ARG 17 -11.885 -12.690 -3.116
172 HE ARG 17 HE ARG 17 -9.375 -11.846 -3.645
173 1HH1 ARG 17 1HH1 ARG 17 -10.671 -14.176 -1.391
174 2HH1 ARG 17 2HH1 ARG 17 -9.255 -15.173 -1.415
175 1HH2 ARG 17 1HH2 ARG 17 -7.513 -13.156 -3.676
176 2HH2 ARG 17 2HH2 ARG 17 -7.462 -14.593 -2.711
Start of MODEL 24
1 1H LYS 1 1HT LYS 1 -4.477 4.891 -5.408
2 2H LYS 1 2HT LYS 1 -2.896 4.793 -6.066
3 3H LYS 1 3HT LYS 1 -3.115 4.941 -4.371
4 HA LYS 1 HA LYS 1 -3.780 2.670 -6.101
5 1HB LYS 1 2HB LYS 1 -2.142 2.455 -3.632
6 2HB LYS 1 1HB LYS 1 -1.981 1.631 -5.167
7 1HG LYS 1 2HG LYS 1 -1.252 4.510 -4.735
8 2HG LYS 1 1HG LYS 1 -0.121 3.170 -4.602
9 1HD LYS 1 2HD LYS 1 -0.200 2.704 -6.869
10 2HD LYS 1 1HD LYS 1 -1.763 3.497 -7.077
11 1HE LYS 1 2HE LYS 1 -0.178 5.554 -6.218
12 2HE LYS 1 1HE LYS 1 0.947 4.603 -7.188
13 1HZ LYS 1 1HZ LYS 1 -0.224 4.987 -9.090
14 2HZ LYS 1 2HZ LYS 1 -0.556 6.429 -8.269
15 3HZ LYS 1 3HZ LYS 1 -1.704 5.186 -8.293
16 H TRP 2 H TRP 2 -3.375 1.688 -2.895
17 HA TRP 2 HA TRP 2 -5.863 0.721 -2.589
18 1HB TRP 2 2HB TRP 2 -5.457 0.415 -0.299
19 2HB TRP 2 1HB TRP 2 -3.933 0.250 -1.143
20 HD1 TRP 2 HD TRP 2 -4.863 1.206 1.960
21 HE1 TRP 2 1HE TRP 2 -3.450 3.085 2.992
22 HE3 TRP 2 3HE TRP 2 -2.832 3.147 -2.310
23 HZ2 TRP 2 2HZ TRP 2 -1.720 5.124 2.112
24 HZ3 TRP 2 3HZ TRP 2 -1.307 5.044 -2.122
25 HH2 TRP 2 HH TRP 2 -0.763 6.019 0.040
26 H TYR 3 H TYR 3 -4.898 3.989 -1.580
27 HA TYR 3 HA TYR 3 -7.366 5.114 -2.129
28 1HB TYR 3 2HB TYR 3 -8.411 5.373 -0.046
29 2HB TYR 3 1HB TYR 3 -7.915 3.694 -0.121
30 HD1 TYR 3 1HD TYR 3 -8.700 4.858 2.394
31 HD2 TYR 3 2HD TYR 3 -4.876 4.886 0.530
32 HE1 TYR 3 1HE TYR 3 -7.630 5.001 4.599
33 HE2 TYR 3 2HE TYR 3 -3.796 5.003 2.727
34 HH TYR 3 HH TYR 3 -5.200 4.267 5.512
35 H PHE 4 H PHE 4 -7.394 7.127 -0.062
36 HA PHE 4 HA PHE 4 -5.960 9.100 -1.168
37 1HB PHE 4 2HB PHE 4 -6.516 10.383 0.591
38 2HB PHE 4 1HB PHE 4 -7.484 8.983 1.047
39 HD1 PHE 4 1HD PHE 4 -5.857 7.174 2.385
40 HD2 PHE 4 2HD PHE 4 -5.494 11.409 2.318
41 HE1 PHE 4 1HE PHE 4 -4.672 7.108 4.544
42 HE2 PHE 4 2HE PHE 4 -4.310 11.350 4.472
43 HZ PHE 4 HZ PHE 4 -3.898 9.195 5.588
44 H ARG 5 H ARG 5 -4.019 10.098 -0.910
45 HA ARG 5 HA ARG 5 -1.825 10.361 -0.212
46 1HB ARG 5 2HB ARG 5 -1.819 7.446 0.572
47 2HB ARG 5 1HB ARG 5 -0.554 8.617 0.886
48 1HG ARG 5 2HG ARG 5 -3.324 8.657 2.060
49 2HG ARG 5 1HG ARG 5 -1.855 8.144 2.882
50 1HD ARG 5 2HD ARG 5 -2.191 10.351 3.597
51 2HD ARG 5 1HD ARG 5 -0.941 10.464 2.361
52 HE ARG 5 HE ARG 5 -3.257 10.888 0.991
53 1HH1 ARG 5 1HH1 ARG 5 -1.800 12.343 3.810
54 2HH1 ARG 5 2HH1 ARG 5 -2.506 13.899 3.523
55 1HH2 ARG 5 1HH2 ARG 5 -4.185 12.931 0.614
56 2HH2 ARG 5 2HH2 ARG 5 -3.860 14.231 1.710
57 H VAL 6 H VAL 6 -2.921 7.379 -1.673
58 HA VAL 6 HA VAL 6 -1.920 6.106 -3.358
59 HB VAL 6 HB VAL 6 -3.509 6.786 -4.732
60 1HG1 VAL 6 1HG1 VAL 6 -4.224 9.247 -4.773
61 2HG1 VAL 6 2HG1 VAL 6 -3.108 9.418 -3.416
62 3HG1 VAL 6 3HG1 VAL 6 -4.466 8.293 -3.306
63 1HG2 VAL 6 1HG2 VAL 6 -2.949 8.010 -6.640
64 2HG2 VAL 6 2HG2 VAL 6 -1.401 7.372 -6.085
65 3HG2 VAL 6 3HG2 VAL 6 -1.833 9.051 -5.758
66 H TYR 7 H TYR 7 0.186 5.896 -2.883
67 HA TYR 7 HA TYR 7 2.032 7.242 -4.669
68 1HB TYR 7 2HB TYR 7 3.551 7.983 -2.974
69 2HB TYR 7 1HB TYR 7 1.957 8.593 -2.541
70 HD1 TYR 7 1HD TYR 7 0.601 6.654 -1.095
71 HD2 TYR 7 2HD TYR 7 4.801 7.315 -1.160
72 HE1 TYR 7 1HE TYR 7 0.798 5.569 1.106
73 HE2 TYR 7 2HE TYR 7 5.010 6.244 1.043
74 HH TYR 7 HH TYR 7 2.331 5.554 3.017
75 H TYR 8 H TYR 8 0.901 4.433 -3.758
76 HA TYR 8 HA TYR 8 3.529 3.128 -3.896
77 1HB TYR 8 2HB TYR 8 3.050 2.680 -1.682
78 2HB TYR 8 1HB TYR 8 1.312 2.658 -1.946
79 HD1 TYR 8 1HD TYR 8 3.754 0.718 -3.902
80 HD2 TYR 8 2HD TYR 8 0.809 0.602 -0.844
81 HE1 TYR 8 1HE TYR 8 3.719 -1.712 -4.039
82 HE2 TYR 8 2HE TYR 8 0.807 -1.853 -0.934
83 HH TYR 8 HH TYR 8 1.504 -3.608 -3.052
84 H ARG 9 H ARG 9 0.807 1.013 -3.639
85 HA ARG 9 HA ARG 9 0.274 0.847 -6.421
86 1HB ARG 9 2HB ARG 9 1.623 -1.489 -5.112
87 2HB ARG 9 1HB ARG 9 1.034 -1.422 -6.762
88 1HG ARG 9 2HG ARG 9 2.707 0.144 -7.389
89 2HG ARG 9 1HG ARG 9 3.204 0.369 -5.712
90 1HD ARG 9 2HD ARG 9 3.576 -2.215 -5.811
91 2HD ARG 9 1HD ARG 9 3.696 -1.918 -7.543
92 HE ARG 9 HE ARG 9 5.370 -0.077 -6.454
93 1HH1 ARG 9 1HH1 ARG 9 5.078 -3.543 -6.173
94 2HH1 ARG 9 2HH1 ARG 9 6.769 -3.788 -5.891
95 1HH2 ARG 9 1HH2 ARG 9 7.594 -0.397 -6.084
96 2HH2 ARG 9 2HH2 ARG 9 8.198 -2.001 -5.840
97 H GLY 10 H GLY 10 -0.014 -0.703 -3.280
98 1HA GLY 10 2HA GLY 10 -2.699 -0.623 -3.027
99 2HA GLY 10 1HA GLY 10 -2.438 -2.065 -3.995
100 H ILE 11 H ILE 11 -2.514 -0.723 -0.927
101 HA ILE 11 HA ILE 11 -1.031 -2.840 0.402
102 HB ILE 11 HB ILE 11 -2.653 -0.622 1.633
103 1HG1 ILE 11 2HG1 ILE 11 -0.012 0.101 1.909
104 2HG1 ILE 11 1HG1 ILE 11 -0.076 -0.544 0.270
105 1HG2 ILE 11 1HG2 ILE 11 -0.288 -2.044 2.828
106 2HG2 ILE 11 2HG2 ILE 11 -1.933 -2.655 3.001
107 3HG2 ILE 11 3HG2 ILE 11 -1.511 -1.066 3.639
108 1HD1 ILE 11 1HD1 ILE 11 -1.948 0.965 -0.231
109 2HD1 ILE 11 2HD1 ILE 11 -0.487 1.840 0.259
110 3HD1 ILE 11 3HD1 ILE 11 -1.818 1.633 1.403
111 H TYR 12 H TYR 12 -4.336 -1.715 -0.032
112 HA TYR 12 HA TYR 12 -6.339 -2.742 0.254
113 1HB TYR 12 2HB TYR 12 -6.106 -4.865 -0.449
114 2HB TYR 12 1HB TYR 12 -4.486 -4.990 0.220
115 HD1 TYR 12 1HD TYR 12 -8.079 -5.093 1.246
116 HD2 TYR 12 2HD TYR 12 -4.101 -6.404 2.024
117 HE1 TYR 12 1HE TYR 12 -8.913 -6.576 3.016
118 HE2 TYR 12 2HE TYR 12 -4.934 -7.901 3.787
119 HH TYR 12 HH TYR 12 -7.640 -7.649 5.283
120 H TYR 13 H TYR 13 -4.111 -3.936 2.749
121 HA TYR 13 HA TYR 13 -4.207 -4.037 4.982
122 1HB TYR 13 2HB TYR 13 -4.614 -1.992 6.150
123 2HB TYR 13 1HB TYR 13 -3.823 -1.619 4.627
124 HD1 TYR 13 1HD TYR 13 -5.016 -0.431 2.866
125 HD2 TYR 13 2HD TYR 13 -6.885 -1.292 6.591
126 HE1 TYR 13 1HE TYR 13 -6.782 1.208 2.358
127 HE2 TYR 13 2HE TYR 13 -8.652 0.343 6.090
128 HH TYR 13 HH TYR 13 -9.263 1.535 3.103
129 H ARG 14 H ARG 14 -7.421 -2.599 4.151
130 HA ARG 14 HA ARG 14 -8.667 -4.918 5.349
131 1HB ARG 14 2HB ARG 14 -9.683 -3.923 7.178
132 2HB ARG 14 1HB ARG 14 -8.079 -3.210 7.188
133 1HG ARG 14 2HG ARG 14 -9.046 -1.222 7.276
134 2HG ARG 14 1HG ARG 14 -9.615 -1.487 5.628
135 1HD ARG 14 2HD ARG 14 -11.725 -1.723 6.297
136 2HD ARG 14 1HD ARG 14 -11.272 -2.849 7.575
137 HE ARG 14 HE ARG 14 -11.351 -1.126 9.076
138 1HH1 ARG 14 1HH1 ARG 14 -11.267 0.198 5.848
139 2HH1 ARG 14 2HH1 ARG 14 -11.564 1.822 6.371
140 1HH2 ARG 14 1HH2 ARG 14 -11.742 1.008 9.766
141 2HH2 ARG 14 2HH2 ARG 14 -11.833 2.281 8.596
142 H ARG 15 H ARG 15 -8.753 -3.874 2.702
143 HA ARG 15 HA ARG 15 -11.276 -2.508 2.373
144 1HB ARG 15 2HB ARG 15 -9.975 -3.891 0.080
145 2HB ARG 15 1HB ARG 15 -10.768 -2.323 0.139
146 1HG ARG 15 2HG ARG 15 -8.750 -1.588 1.545
147 2HG ARG 15 1HG ARG 15 -7.987 -3.055 0.930
148 1HD ARG 15 2HD ARG 15 -9.293 -1.137 -0.957
149 2HD ARG 15 1HD ARG 15 -7.675 -0.806 -0.342
150 HE ARG 15 HE ARG 15 -6.850 -2.566 -1.594
151 1HH1 ARG 15 1HH1 ARG 15 -10.340 -2.512 -1.766
152 2HH1 ARG 15 2HH1 ARG 15 -10.414 -3.654 -3.065
153 1HH2 ARG 15 1HH2 ARG 15 -6.952 -4.063 -3.299
154 2HH2 ARG 15 2HH2 ARG 15 -8.493 -4.533 -3.935
155 H TYR 16 H TYR 16 -10.018 -5.757 1.703
156 HA TYR 16 HA TYR 16 -12.146 -6.962 0.531
157 1HB TYR 16 2HB TYR 16 -9.993 -7.908 2.319
158 2HB TYR 16 1HB TYR 16 -11.383 -8.976 2.171
159 HD1 TYR 16 1HD TYR 16 -12.190 -8.805 -0.568
160 HD2 TYR 16 2HD TYR 16 -8.255 -8.734 1.048
161 HE1 TYR 16 1HE TYR 16 -11.309 -9.670 -2.694
162 HE2 TYR 16 2HE TYR 16 -7.362 -9.598 -1.075
163 HH TYR 16 HH TYR 16 -8.770 -11.130 -3.175
164 H ARG 17 H ARG 17 -11.623 -7.315 4.038
165 HA ARG 17 HA ARG 17 -14.400 -7.931 4.462
166 1HB ARG 17 2HB ARG 17 -12.408 -7.345 6.639
167 2HB ARG 17 1HB ARG 17 -13.813 -8.402 6.694
168 1HG ARG 17 2HG ARG 17 -11.246 -8.895 5.201
169 2HG ARG 17 1HG ARG 17 -11.807 -9.723 6.656
170 1HD ARG 17 2HD ARG 17 -13.386 -10.939 5.518
171 2HD ARG 17 1HD ARG 17 -13.550 -9.734 4.242
172 HE ARG 17 HE ARG 17 -10.987 -11.034 4.286
173 1HH1 ARG 17 1HH1 ARG 17 -14.268 -11.216 3.111
174 2HH1 ARG 17 2HH1 ARG 17 -13.864 -12.232 1.769
175 1HH2 ARG 17 1HH2 ARG 17 -10.452 -12.369 2.520
176 2HH2 ARG 17 2HH2 ARG 17 -11.697 -12.887 1.433
Start of MODEL 25
1 1H LYS 1 1HT LYS 1 -1.278 4.293 1.033
2 2H LYS 1 2HT LYS 1 -1.942 2.780 0.581
3 3H LYS 1 3HT LYS 1 -2.699 4.232 0.085
4 HA LYS 1 HA LYS 1 -0.485 4.728 -1.011
5 1HB LYS 1 2HB LYS 1 -0.392 1.734 -0.692
6 2HB LYS 1 1HB LYS 1 0.542 2.608 -1.862
7 1HG LYS 1 2HG LYS 1 1.834 1.951 0.110
8 2HG LYS 1 1HG LYS 1 1.823 3.683 -0.161
9 1HD LYS 1 2HD LYS 1 0.906 4.070 1.849
10 2HD LYS 1 1HD LYS 1 -0.321 2.832 1.612
11 1HE LYS 1 2HE LYS 1 1.096 2.329 3.533
12 2HE LYS 1 1HE LYS 1 1.259 1.109 2.271
13 1HZ LYS 1 1HZ LYS 1 3.432 1.516 2.857
14 2HZ LYS 1 2HZ LYS 1 3.184 3.168 3.117
15 3HZ LYS 1 3HZ LYS 1 3.250 2.562 1.540
16 H TRP 2 H TRP 2 -3.279 2.675 -1.091
17 HA TRP 2 HA TRP 2 -3.325 2.819 -4.007
18 1HB TRP 2 2HB TRP 2 -5.368 1.276 -3.717
19 2HB TRP 2 1HB TRP 2 -3.769 0.619 -3.399
20 HD1 TRP 2 HD TRP 2 -3.209 -0.098 -0.924
21 HE1 TRP 2 1HE TRP 2 -4.649 -0.409 1.188
22 HE3 TRP 2 3HE TRP 2 -7.495 2.141 -2.544
23 HZ2 TRP 2 2HZ TRP 2 -7.286 0.161 2.027
24 HZ3 TRP 2 3HZ TRP 2 -9.437 2.199 -1.040
25 HH2 TRP 2 HH TRP 2 -9.338 1.226 1.198
26 H TYR 3 H TYR 3 -4.823 4.217 -1.235
27 HA TYR 3 HA TYR 3 -6.610 5.670 -3.019
28 1HB TYR 3 2HB TYR 3 -8.396 5.612 -1.335
29 2HB TYR 3 1HB TYR 3 -7.977 4.030 -1.956
30 HD1 TYR 3 1HD TYR 3 -5.523 3.545 -0.113
31 HD2 TYR 3 2HD TYR 3 -9.462 4.980 0.636
32 HE1 TYR 3 1HE TYR 3 -5.403 2.668 2.167
33 HE2 TYR 3 2HE TYR 3 -9.336 4.124 2.932
34 HH TYR 3 HH TYR 3 -7.602 1.950 3.991
35 H PHE 4 H PHE 4 -6.856 6.283 0.400
36 HA PHE 4 HA PHE 4 -6.591 8.943 0.305
37 1HB PHE 4 2HB PHE 4 -5.985 8.959 2.657
38 2HB PHE 4 1HB PHE 4 -7.219 7.751 2.337
39 HD1 PHE 4 1HD PHE 4 -5.311 5.596 1.255
40 HD2 PHE 4 2HD PHE 4 -5.166 8.118 4.675
41 HE1 PHE 4 1HE PHE 4 -3.970 3.901 2.433
42 HE2 PHE 4 2HE PHE 4 -3.814 6.440 5.857
43 HZ PHE 4 HZ PHE 4 -3.215 4.329 4.740
44 H ARG 5 H ARG 5 -3.907 6.724 0.040
45 HA ARG 5 HA ARG 5 -2.046 8.996 0.166
46 1HB ARG 5 2HB ARG 5 -1.114 6.173 -0.082
47 2HB ARG 5 1HB ARG 5 -0.334 7.540 0.702
48 1HG ARG 5 2HG ARG 5 -2.833 6.257 1.745
49 2HG ARG 5 1HG ARG 5 -1.215 5.745 2.221
50 1HD ARG 5 2HD ARG 5 -2.131 7.298 3.853
51 2HD ARG 5 1HD ARG 5 -0.732 7.996 3.044
52 HE ARG 5 HE ARG 5 -2.616 9.088 1.588
53 1HH1 ARG 5 1HH1 ARG 5 -2.618 8.595 5.052
54 2HH1 ARG 5 2HH1 ARG 5 -3.649 9.950 5.362
55 1HH2 ARG 5 1HH2 ARG 5 -3.963 10.865 2.006
56 2HH2 ARG 5 2HH2 ARG 5 -4.410 11.238 3.637
57 H VAL 6 H VAL 6 -2.950 6.253 -1.872
58 HA VAL 6 HA VAL 6 -2.406 5.777 -4.060
59 HB VAL 6 HB VAL 6 -4.282 7.156 -4.424
60 1HG1 VAL 6 1HG1 VAL 6 -2.493 9.553 -4.012
61 2HG1 VAL 6 2HG1 VAL 6 -3.700 8.956 -2.869
62 3HG1 VAL 6 3HG1 VAL 6 -4.205 9.604 -4.436
63 1HG2 VAL 6 1HG2 VAL 6 -3.898 7.516 -6.598
64 2HG2 VAL 6 2HG2 VAL 6 -2.249 6.979 -6.263
65 3HG2 VAL 6 3HG2 VAL 6 -2.635 8.703 -6.269
66 H TYR 7 H TYR 7 -0.081 5.633 -3.396
67 HA TYR 7 HA TYR 7 1.532 7.219 -5.186
68 1HB TYR 7 2HB TYR 7 3.011 8.090 -3.496
69 2HB TYR 7 1HB TYR 7 1.364 8.540 -3.068
70 HD1 TYR 7 1HD TYR 7 0.276 6.263 -1.720
71 HD2 TYR 7 2HD TYR 7 4.241 7.786 -1.549
72 HE1 TYR 7 1HE TYR 7 0.557 5.209 0.484
73 HE2 TYR 7 2HE TYR 7 4.539 6.761 0.668
74 HH TYR 7 HH TYR 7 2.435 5.968 2.630
75 H TYR 8 H TYR 8 0.722 4.319 -4.286
76 HA TYR 8 HA TYR 8 3.194 3.059 -4.990
77 1HB TYR 8 2HB TYR 8 3.911 3.457 -2.845
78 2HB TYR 8 1HB TYR 8 2.283 3.313 -2.190
79 HD1 TYR 8 1HD TYR 8 5.357 1.651 -2.843
80 HD2 TYR 8 2HD TYR 8 1.238 0.978 -2.117
81 HE1 TYR 8 1HE TYR 8 5.863 -0.670 -2.160
82 HE2 TYR 8 2HE TYR 8 1.702 -1.303 -1.419
83 HH TYR 8 HH TYR 8 3.552 -2.659 -0.599
84 H ARG 9 H ARG 9 -0.010 2.771 -3.541
85 HA ARG 9 HA ARG 9 -1.566 1.144 -3.500
86 1HB ARG 9 2HB ARG 9 -1.438 -0.283 -5.809
87 2HB ARG 9 1HB ARG 9 -2.228 1.276 -5.651
88 1HG ARG 9 2HG ARG 9 0.005 2.296 -6.311
89 2HG ARG 9 1HG ARG 9 0.471 0.666 -6.796
90 1HD ARG 9 2HD ARG 9 -1.246 0.562 -8.419
91 2HD ARG 9 1HD ARG 9 -2.042 1.994 -7.771
92 HE ARG 9 HE ARG 9 -0.608 3.304 -8.986
93 1HH1 ARG 9 1HH1 ARG 9 0.625 0.041 -8.912
94 2HH1 ARG 9 2HH1 ARG 9 1.867 0.350 -10.077
95 1HH2 ARG 9 1HH2 ARG 9 1.024 3.713 -10.522
96 2HH2 ARG 9 2HH2 ARG 9 2.095 2.434 -10.991
97 H GLY 10 H GLY 10 0.229 -1.049 -5.510
98 1HA GLY 10 2HA GLY 10 0.365 -3.360 -4.747
99 2HA GLY 10 1HA GLY 10 1.916 -2.579 -4.541
100 H ILE 11 H ILE 11 -1.053 -2.386 -2.587
101 HA ILE 11 HA ILE 11 0.550 -2.999 -0.206
102 HB ILE 11 HB ILE 11 -2.131 -1.695 -0.636
103 1HG1 ILE 11 2HG1 ILE 11 0.074 -0.870 1.249
104 2HG1 ILE 11 1HG1 ILE 11 0.137 -0.460 -0.459
105 1HG2 ILE 11 1HG2 ILE 11 -2.130 -1.706 2.007
106 2HG2 ILE 11 2HG2 ILE 11 -1.267 -3.223 1.762
107 3HG2 ILE 11 3HG2 ILE 11 -2.876 -3.003 1.074
108 1HD1 ILE 11 1HD1 ILE 11 -0.770 1.331 1.019
109 2HD1 ILE 11 2HD1 ILE 11 -2.149 0.284 1.349
110 3HD1 ILE 11 3HD1 ILE 11 -1.848 0.854 -0.294
111 H TYR 12 H TYR 12 -2.697 -3.698 -1.321
112 HA TYR 12 HA TYR 12 -2.705 -6.423 -1.468
113 1HB TYR 12 2HB TYR 12 -2.361 -5.638 1.234
114 2HB TYR 12 1HB TYR 12 -4.019 -6.210 1.088
115 HD1 TYR 12 1HD TYR 12 -4.395 -8.524 0.081
116 HD2 TYR 12 2HD TYR 12 -0.583 -7.156 1.378
117 HE1 TYR 12 1HE TYR 12 -3.607 -10.851 0.199
118 HE2 TYR 12 2HE TYR 12 0.217 -9.477 1.499
119 HH TYR 12 HH TYR 12 -1.646 -12.059 1.646
120 H TYR 13 H TYR 13 -4.227 -3.424 -0.804
121 HA TYR 13 HA TYR 13 -6.850 -3.784 -0.557
122 1HB TYR 13 2HB TYR 13 -7.222 -1.764 -1.822
123 2HB TYR 13 1HB TYR 13 -5.724 -1.605 -0.918
124 HD1 TYR 13 1HD TYR 13 -7.246 -1.294 -4.097
125 HD2 TYR 13 2HD TYR 13 -3.537 -2.186 -2.216
126 HE1 TYR 13 1HE TYR 13 -6.064 -0.761 -6.187
127 HE2 TYR 13 2HE TYR 13 -2.344 -1.653 -4.299
128 HH TYR 13 HH TYR 13 -3.473 0.074 -6.674
129 H ARG 14 H ARG 14 -5.092 -4.049 -3.608
130 HA ARG 14 HA ARG 14 -7.359 -4.813 -5.153
131 1HB ARG 14 2HB ARG 14 -5.251 -3.790 -6.064
132 2HB ARG 14 1HB ARG 14 -4.448 -5.327 -5.781
133 1HG ARG 14 2HG ARG 14 -6.936 -5.422 -7.365
134 2HG ARG 14 1HG ARG 14 -5.542 -4.646 -8.121
135 1HD ARG 14 2HD ARG 14 -5.367 -7.350 -6.822
136 2HD ARG 14 1HD ARG 14 -5.834 -7.148 -8.509
137 HE ARG 14 HE ARG 14 -3.527 -5.764 -8.365
138 1HH1 ARG 14 1HH1 ARG 14 -4.402 -8.995 -7.372
139 2HH1 ARG 14 2HH1 ARG 14 -2.812 -9.636 -7.622
140 1HH2 ARG 14 1HH2 ARG 14 -1.439 -6.607 -8.697
141 2HH2 ARG 14 2HH2 ARG 14 -1.131 -8.281 -8.377
142 H ARG 15 H ARG 15 -4.489 -6.726 -4.242
143 HA ARG 15 HA ARG 15 -5.893 -9.194 -4.747
144 1HB ARG 15 2HB ARG 15 -3.726 -10.152 -3.657
145 2HB ARG 15 1HB ARG 15 -3.649 -9.440 -5.263
146 1HG ARG 15 2HG ARG 15 -2.693 -7.430 -4.402
147 2HG ARG 15 1HG ARG 15 -2.973 -7.948 -2.738
148 1HD ARG 15 2HD ARG 15 -1.183 -9.388 -4.689
149 2HD ARG 15 1HD ARG 15 -0.617 -8.201 -3.518
150 HE ARG 15 HE ARG 15 -0.971 -9.732 -1.810
151 1HH1 ARG 15 1HH1 ARG 15 -2.120 -11.015 -4.850
152 2HH1 ARG 15 2HH1 ARG 15 -2.248 -12.635 -4.256
153 1HH2 ARG 15 1HH2 ARG 15 -1.141 -11.861 -1.034
154 2HH2 ARG 15 2HH2 ARG 15 -1.693 -13.117 -2.093
155 H TYR 16 H TYR 16 -7.522 -8.213 -3.055
156 HA TYR 16 HA TYR 16 -6.748 -8.908 -0.336
157 1HB TYR 16 2HB TYR 16 -8.525 -7.609 0.405
158 2HB TYR 16 1HB TYR 16 -8.060 -6.776 -1.074
159 HD1 TYR 16 1HD TYR 16 -10.749 -8.172 0.737
160 HD2 TYR 16 2HD TYR 16 -9.368 -7.489 -3.228
161 HE1 TYR 16 1HE TYR 16 -13.054 -8.378 -0.094
162 HE2 TYR 16 2HE TYR 16 -11.669 -7.694 -4.070
163 HH TYR 16 HH TYR 16 -14.222 -8.904 -2.170
164 H ARG 17 H ARG 17 -7.167 -10.829 0.502
165 HA ARG 17 HA ARG 17 -8.519 -12.860 -0.891
166 1HB ARG 17 2HB ARG 17 -8.134 -14.238 1.004
167 2HB ARG 17 1HB ARG 17 -6.751 -13.160 0.887
168 1HG ARG 17 2HG ARG 17 -9.083 -12.620 2.706
169 2HG ARG 17 1HG ARG 17 -7.672 -13.558 3.200
170 1HD ARG 17 2HD ARG 17 -6.380 -11.456 2.267
171 2HD ARG 17 1HD ARG 17 -7.915 -10.652 2.596
172 HE ARG 17 HE ARG 17 -7.507 -10.846 4.845
173 1HH1 ARG 17 1HH1 ARG 17 -5.261 -12.866 3.097
174 2HH1 ARG 17 2HH1 ARG 17 -4.293 -13.210 4.491
175 1HH2 ARG 17 1HH2 ARG 17 -6.233 -11.298 6.679
176 2HH2 ARG 17 2HH2 ARG 17 -4.844 -12.320 6.523
Start of MODEL 26
1 1H LYS 1 1HT LYS 1 -1.966 0.302 -6.235
2 2H LYS 1 2HT LYS 1 -3.609 0.154 -5.763
3 3H LYS 1 3HT LYS 1 -2.381 -0.626 -4.856
4 HA LYS 1 HA LYS 1 -1.609 1.298 -3.966
5 1HB LYS 1 2HB LYS 1 -2.260 3.517 -4.866
6 2HB LYS 1 1HB LYS 1 -1.411 2.531 -6.048
7 1HG LYS 1 2HG LYS 1 -4.125 1.964 -6.413
8 2HG LYS 1 1HG LYS 1 -4.025 3.712 -6.189
9 1HD LYS 1 2HD LYS 1 -1.997 2.519 -7.971
10 2HD LYS 1 1HD LYS 1 -3.660 2.481 -8.559
11 1HE LYS 1 2HE LYS 1 -2.970 4.518 -9.361
12 2HE LYS 1 1HE LYS 1 -3.653 4.992 -7.807
13 1HZ LYS 1 1HZ LYS 1 -1.330 4.777 -6.908
14 2HZ LYS 1 2HZ LYS 1 -1.583 6.062 -7.977
15 3HZ LYS 1 3HZ LYS 1 -0.795 4.664 -8.511
16 H TRP 2 H TRP 2 -2.874 3.170 -2.774
17 HA TRP 2 HA TRP 2 -5.325 1.948 -1.805
18 1HB TRP 2 2HB TRP 2 -3.125 3.332 -0.604
19 2HB TRP 2 1HB TRP 2 -4.574 4.235 -0.265
20 HD1 TRP 2 HD TRP 2 -3.363 0.549 0.157
21 HE1 TRP 2 1HE TRP 2 -4.261 -0.280 2.406
22 HE3 TRP 2 3HE TRP 2 -6.200 4.565 1.496
23 HZ2 TRP 2 2HZ TRP 2 -5.960 0.586 4.463
24 HZ3 TRP 2 3HZ TRP 2 -7.434 4.494 3.605
25 HH2 TRP 2 HH TRP 2 -7.331 2.535 5.066
26 H TYR 3 H TYR 3 -5.305 5.146 -0.952
27 HA TYR 3 HA TYR 3 -6.633 6.253 -3.243
28 1HB TYR 3 2HB TYR 3 -8.315 6.836 -1.092
29 2HB TYR 3 1HB TYR 3 -8.695 5.806 -2.453
30 HD1 TYR 3 1HD TYR 3 -10.062 5.456 0.123
31 HD2 TYR 3 2HD TYR 3 -6.395 3.858 -1.197
32 HE1 TYR 3 1HE TYR 3 -10.342 3.522 1.632
33 HE2 TYR 3 2HE TYR 3 -6.565 1.982 0.271
34 HH TYR 3 HH TYR 3 -7.777 1.163 2.092
35 H PHE 4 H PHE 4 -6.779 6.900 0.202
36 HA PHE 4 HA PHE 4 -6.210 9.635 0.108
37 1HB PHE 4 2HB PHE 4 -6.127 9.499 2.451
38 2HB PHE 4 1HB PHE 4 -7.189 8.161 1.995
39 HD1 PHE 4 1HD PHE 4 -5.570 5.949 1.388
40 HD2 PHE 4 2HD PHE 4 -4.813 9.004 4.257
41 HE1 PHE 4 1HE PHE 4 -4.146 4.372 2.660
42 HE2 PHE 4 2HE PHE 4 -3.388 7.454 5.533
43 HZ PHE 4 HZ PHE 4 -3.052 5.148 4.740
44 H ARG 5 H ARG 5 -4.273 6.831 0.071
45 HA ARG 5 HA ARG 5 -1.789 8.251 0.537
46 1HB ARG 5 2HB ARG 5 -1.205 6.322 1.526
47 2HB ARG 5 1HB ARG 5 -2.874 5.856 1.345
48 1HG ARG 5 2HG ARG 5 -1.724 4.057 0.542
49 2HG ARG 5 1HG ARG 5 -2.197 4.930 -0.917
50 1HD ARG 5 2HD ARG 5 0.434 4.355 0.142
51 2HD ARG 5 1HD ARG 5 -0.054 4.861 -1.470
52 HE ARG 5 HE ARG 5 0.260 7.102 -0.860
53 1HH1 ARG 5 1HH1 ARG 5 0.882 4.956 1.835
54 2HH1 ARG 5 2HH1 ARG 5 1.710 6.162 2.760
55 1HH2 ARG 5 1HH2 ARG 5 1.348 8.680 0.367
56 2HH2 ARG 5 2HH2 ARG 5 1.972 8.274 1.931
57 H VAL 6 H VAL 6 -3.422 6.184 -1.716
58 HA VAL 6 HA VAL 6 -2.499 5.319 -3.702
59 HB VAL 6 HB VAL 6 -4.570 6.632 -3.927
60 1HG1 VAL 6 1HG1 VAL 6 -4.611 8.878 -4.176
61 2HG1 VAL 6 2HG1 VAL 6 -3.158 8.896 -5.174
62 3HG1 VAL 6 3HG1 VAL 6 -3.017 8.784 -3.417
63 1HG2 VAL 6 1HG2 VAL 6 -4.439 5.858 -6.014
64 2HG2 VAL 6 2HG2 VAL 6 -2.678 5.966 -5.990
65 3HG2 VAL 6 3HG2 VAL 6 -3.643 7.362 -6.477
66 H TYR 7 H TYR 7 -0.062 6.008 -2.815
67 HA TYR 7 HA TYR 7 1.086 7.517 -5.073
68 1HB TYR 7 2HB TYR 7 2.648 8.593 -3.732
69 2HB TYR 7 1HB TYR 7 1.272 8.533 -2.636
70 HD1 TYR 7 1HD TYR 7 4.488 8.576 -2.226
71 HD2 TYR 7 2HD TYR 7 1.402 5.706 -1.841
72 HE1 TYR 7 1HE TYR 7 5.845 7.349 -0.574
73 HE2 TYR 7 2HE TYR 7 2.720 4.452 -0.197
74 HH TYR 7 HH TYR 7 5.366 5.724 1.360
75 H TYR 8 H TYR 8 0.749 4.602 -3.565
76 HA TYR 8 HA TYR 8 2.972 3.403 -5.021
77 1HB TYR 8 2HB TYR 8 4.046 3.556 -2.966
78 2HB TYR 8 1HB TYR 8 2.541 3.431 -2.064
79 HD1 TYR 8 1HD TYR 8 1.585 1.269 -1.520
80 HD2 TYR 8 2HD TYR 8 5.196 1.577 -3.755
81 HE1 TYR 8 1HE TYR 8 2.021 -1.099 -1.142
82 HE2 TYR 8 2HE TYR 8 5.644 -0.814 -3.369
83 HH TYR 8 HH TYR 8 4.393 -2.573 -1.107
84 H ARG 9 H ARG 9 2.690 0.889 -4.884
85 HA ARG 9 HA ARG 9 -0.195 0.280 -4.902
86 1HB ARG 9 2HB ARG 9 0.404 -1.452 -6.650
87 2HB ARG 9 1HB ARG 9 0.501 0.227 -7.158
88 1HG ARG 9 2HG ARG 9 2.961 -1.074 -6.115
89 2HG ARG 9 1HG ARG 9 2.397 -1.506 -7.731
90 1HD ARG 9 2HD ARG 9 2.738 1.353 -6.872
91 2HD ARG 9 1HD ARG 9 4.071 0.412 -7.536
92 HE ARG 9 HE ARG 9 2.996 0.375 -9.615
93 1HH1 ARG 9 1HH1 ARG 9 1.120 2.122 -7.234
94 2HH1 ARG 9 2HH1 ARG 9 0.118 2.892 -8.416
95 1HH2 ARG 9 1HH2 ARG 9 1.675 1.391 -11.158
96 2HH2 ARG 9 2HH2 ARG 9 0.430 2.479 -10.639
97 H GLY 10 H GLY 10 -0.529 -0.782 -3.012
98 1HA GLY 10 2HA GLY 10 -0.047 -3.422 -2.657
99 2HA GLY 10 1HA GLY 10 1.386 -2.673 -1.972
100 H ILE 11 H ILE 11 1.191 -1.425 -0.088
101 HA ILE 11 HA ILE 11 0.503 -1.168 2.059
102 HB ILE 11 HB ILE 11 -2.040 -0.409 0.649
103 1HG1 ILE 11 2HG1 ILE 11 -0.253 1.735 1.507
104 2HG1 ILE 11 1HG1 ILE 11 0.430 0.700 0.254
105 1HG2 ILE 11 1HG2 ILE 11 -2.475 -0.590 2.987
106 2HG2 ILE 11 2HG2 ILE 11 -2.298 1.128 2.630
107 3HG2 ILE 11 3HG2 ILE 11 -0.975 0.245 3.388
108 1HD1 ILE 11 1HD1 ILE 11 -1.366 1.163 -1.221
109 2HD1 ILE 11 2HD1 ILE 11 -0.801 2.705 -0.575
110 3HD1 ILE 11 3HD1 ILE 11 -2.299 1.976 0.045
111 H TYR 12 H TYR 12 -2.834 -1.770 1.431
112 HA TYR 12 HA TYR 12 -3.107 -4.491 1.677
113 1HB TYR 12 2HB TYR 12 -1.996 -3.491 4.039
114 2HB TYR 12 1HB TYR 12 -3.701 -3.703 4.415
115 HD1 TYR 12 1HD TYR 12 -4.098 -5.668 5.538
116 HD2 TYR 12 2HD TYR 12 -1.193 -5.652 2.430
117 HE1 TYR 12 1HE TYR 12 -3.731 -8.077 5.875
118 HE2 TYR 12 2HE TYR 12 -0.820 -8.060 2.757
119 HH TYR 12 HH TYR 12 -2.796 -10.051 4.175
120 H TYR 13 H TYR 13 -4.387 -2.070 0.647
121 HA TYR 13 HA TYR 13 -6.766 -1.504 2.037
122 1HB TYR 13 2HB TYR 13 -7.573 -0.557 -0.098
123 2HB TYR 13 1HB TYR 13 -5.956 -0.005 0.298
124 HD1 TYR 13 1HD TYR 13 -8.010 -1.775 -2.080
125 HD2 TYR 13 2HD TYR 13 -3.994 -0.971 -0.932
126 HE1 TYR 13 1HE TYR 13 -7.234 -2.528 -4.289
127 HE2 TYR 13 2HE TYR 13 -3.207 -1.721 -3.136
128 HH TYR 13 HH TYR 13 -5.347 -2.291 -5.758
129 H ARG 14 H ARG 14 -6.073 -3.674 -0.671
130 HA ARG 14 HA ARG 14 -8.654 -5.012 -0.173
131 1HB ARG 14 2HB ARG 14 -7.127 -4.425 -2.649
132 2HB ARG 14 1HB ARG 14 -7.968 -5.967 -2.589
133 1HG ARG 14 2HG ARG 14 -9.275 -3.303 -2.087
134 2HG ARG 14 1HG ARG 14 -9.274 -4.142 -3.640
135 1HD ARG 14 2HD ARG 14 -10.396 -6.059 -2.576
136 2HD ARG 14 1HD ARG 14 -10.437 -5.172 -1.053
137 HE ARG 14 HE ARG 14 -12.188 -4.835 -3.291
138 1HH1 ARG 14 1HH1 ARG 14 -10.743 -3.206 -0.563
139 2HH1 ARG 14 2HH1 ARG 14 -12.003 -2.024 -0.442
140 1HH2 ARG 14 1HH2 ARG 14 -13.845 -3.282 -3.133
141 2HH2 ARG 14 2HH2 ARG 14 -13.765 -2.067 -1.900
142 H ARG 15 H ARG 15 -6.354 -5.546 1.396
143 HA ARG 15 HA ARG 15 -5.898 -8.357 0.655
144 1HB ARG 15 2HB ARG 15 -3.831 -6.550 1.916
145 2HB ARG 15 1HB ARG 15 -3.607 -8.225 1.431
146 1HG ARG 15 2HG ARG 15 -4.433 -6.233 -0.621
147 2HG ARG 15 1HG ARG 15 -2.757 -6.260 -0.071
148 1HD ARG 15 2HD ARG 15 -2.959 -8.826 -0.511
149 2HD ARG 15 1HD ARG 15 -4.310 -8.347 -1.538
150 HE ARG 15 HE ARG 15 -1.542 -8.056 -2.117
151 1HH1 ARG 15 1HH1 ARG 15 -4.649 -6.538 -2.587
152 2HH1 ARG 15 2HH1 ARG 15 -4.179 -5.743 -4.052
153 1HH2 ARG 15 1HH2 ARG 15 -0.922 -7.013 -4.044
154 2HH2 ARG 15 2HH2 ARG 15 -2.064 -6.013 -4.879
155 H TYR 16 H TYR 16 -7.837 -7.114 2.454
156 HA TYR 16 HA TYR 16 -6.885 -8.065 5.066
157 1HB TYR 16 2HB TYR 16 -8.049 -5.700 4.507
158 2HB TYR 16 1HB TYR 16 -9.486 -6.655 4.855
159 HD1 TYR 16 1HD TYR 16 -8.479 -8.439 6.990
160 HD2 TYR 16 2HD TYR 16 -7.849 -4.280 6.349
161 HE1 TYR 16 1HE TYR 16 -8.102 -8.132 9.399
162 HE2 TYR 16 2HE TYR 16 -7.470 -3.961 8.758
163 HH TYR 16 HH TYR 16 -6.788 -5.287 10.706
164 H ARG 17 H ARG 17 -7.178 -10.285 4.332
165 HA ARG 17 HA ARG 17 -9.704 -11.322 5.152
166 1HB ARG 17 2HB ARG 17 -9.810 -12.622 2.811
167 2HB ARG 17 1HB ARG 17 -10.674 -11.121 3.105
168 1HG ARG 17 2HG ARG 17 -9.640 -10.893 1.001
169 2HG ARG 17 1HG ARG 17 -8.690 -9.917 2.123
170 1HD ARG 17 2HD ARG 17 -6.919 -11.001 1.294
171 2HD ARG 17 1HD ARG 17 -7.460 -12.363 2.275
172 HE ARG 17 HE ARG 17 -8.848 -12.681 -0.017
173 1HH1 ARG 17 1HH1 ARG 17 -5.458 -12.191 0.649
174 2HH1 ARG 17 2HH1 ARG 17 -4.929 -13.083 -0.737
175 1HH2 ARG 17 1HH2 ARG 17 -8.153 -13.857 -1.839
176 2HH2 ARG 17 2HH2 ARG 17 -6.458 -14.029 -2.150
Start of MODEL 27
1 1H LYS 1 1HT LYS 1 -2.429 1.076 -2.124
2 2H LYS 1 2HT LYS 1 -0.895 1.310 -2.857
3 3H LYS 1 3HT LYS 1 -1.993 0.160 -3.506
4 HA LYS 1 HA LYS 1 -2.017 3.067 -3.654
5 1HB LYS 1 2HB LYS 1 -1.612 0.845 -5.385
6 2HB LYS 1 1HB LYS 1 -3.097 1.627 -5.889
7 1HG LYS 1 2HG LYS 1 -1.482 3.774 -5.596
8 2HG LYS 1 1HG LYS 1 -0.318 2.543 -6.087
9 1HD LYS 1 2HD LYS 1 -1.086 2.508 -8.189
10 2HD LYS 1 1HD LYS 1 -2.769 2.471 -7.659
11 1HE LYS 1 2HE LYS 1 -1.300 5.026 -7.341
12 2HE LYS 1 1HE LYS 1 -1.712 4.536 -8.983
13 1HZ LYS 1 1HZ LYS 1 -3.377 5.680 -7.029
14 2HZ LYS 1 2HZ LYS 1 -3.973 4.142 -7.400
15 3HZ LYS 1 3HZ LYS 1 -3.753 5.282 -8.629
16 H TRP 2 H TRP 2 -3.847 2.558 -1.715
17 HA TRP 2 HA TRP 2 -6.301 2.008 -3.119
18 1HB TRP 2 2HB TRP 2 -7.423 2.319 -0.817
19 2HB TRP 2 1HB TRP 2 -6.586 0.846 -1.225
20 HD1 TRP 2 HD TRP 2 -5.969 -0.022 1.016
21 HE1 TRP 2 1HE TRP 2 -4.689 0.776 3.078
22 HE3 TRP 2 3HE TRP 2 -5.119 4.841 -0.348
23 HZ2 TRP 2 2HZ TRP 2 -3.483 3.094 4.015
24 HZ3 TRP 2 3HZ TRP 2 -3.900 6.259 1.225
25 HH2 TRP 2 HH TRP 2 -3.096 5.418 3.356
26 H TYR 3 H TYR 3 -6.756 4.127 -0.514
27 HA TYR 3 HA TYR 3 -7.711 6.143 -2.398
28 1HB TYR 3 2HB TYR 3 -8.685 6.984 0.010
29 2HB TYR 3 1HB TYR 3 -9.523 5.863 -1.058
30 HD1 TYR 3 1HD TYR 3 -6.612 5.357 1.198
31 HD2 TYR 3 2HD TYR 3 -10.633 4.319 0.315
32 HE1 TYR 3 1HE TYR 3 -6.488 3.585 2.889
33 HE2 TYR 3 2HE TYR 3 -10.558 2.565 2.041
34 HH TYR 3 HH TYR 3 -7.940 2.279 4.274
35 H PHE 4 H PHE 4 -7.061 7.107 0.876
36 HA PHE 4 HA PHE 4 -5.728 9.429 0.083
37 1HB PHE 4 2HB PHE 4 -5.081 9.417 2.647
38 2HB PHE 4 1HB PHE 4 -6.729 9.717 2.113
39 HD1 PHE 4 1HD PHE 4 -4.499 6.929 3.158
40 HD2 PHE 4 2HD PHE 4 -8.448 8.498 3.047
41 HE1 PHE 4 1HE PHE 4 -5.283 5.037 4.533
42 HE2 PHE 4 2HE PHE 4 -9.240 6.624 4.429
43 HZ PHE 4 HZ PHE 4 -7.657 4.890 5.175
44 H ARG 5 H ARG 5 -4.143 7.812 -1.282
45 HA ARG 5 HA ARG 5 -1.595 8.377 -0.172
46 1HB ARG 5 2HB ARG 5 -0.661 6.147 -0.102
47 2HB ARG 5 1HB ARG 5 -1.955 6.300 1.049
48 1HG ARG 5 2HG ARG 5 -2.561 4.322 0.249
49 2HG ARG 5 1HG ARG 5 -3.260 5.244 -1.073
50 1HD ARG 5 2HD ARG 5 -1.437 3.192 -1.284
51 2HD ARG 5 1HD ARG 5 -1.825 4.359 -2.536
52 HE ARG 5 HE ARG 5 0.197 5.357 -2.211
53 1HH1 ARG 5 1HH1 ARG 5 -0.422 3.299 0.531
54 2HH1 ARG 5 2HH1 ARG 5 1.226 3.235 1.032
55 1HH2 ARG 5 1HH2 ARG 5 2.396 5.260 -1.536
56 2HH2 ARG 5 2HH2 ARG 5 2.812 4.354 -0.119
57 H VAL 6 H VAL 6 -2.741 5.911 -2.460
58 HA VAL 6 HA VAL 6 -2.071 5.409 -4.550
59 HB VAL 6 HB VAL 6 -3.686 6.733 -5.388
60 1HG1 VAL 6 1HG1 VAL 6 -3.927 9.134 -4.919
61 2HG1 VAL 6 2HG1 VAL 6 -2.425 9.071 -3.991
62 3HG1 VAL 6 3HG1 VAL 6 -3.829 8.145 -3.458
63 1HG2 VAL 6 1HG2 VAL 6 -2.884 8.330 -7.028
64 2HG2 VAL 6 2HG2 VAL 6 -1.822 6.921 -6.993
65 3HG2 VAL 6 3HG2 VAL 6 -1.322 8.421 -6.213
66 H TYR 7 H TYR 7 0.105 6.948 -2.701
67 HA TYR 7 HA TYR 7 1.962 7.702 -4.770
68 1HB TYR 7 2HB TYR 7 3.468 8.378 -2.988
69 2HB TYR 7 1HB TYR 7 1.869 9.031 -2.694
70 HD1 TYR 7 1HD TYR 7 0.383 7.309 -1.124
71 HD2 TYR 7 2HD TYR 7 4.618 7.677 -1.141
72 HE1 TYR 7 1HE TYR 7 0.449 6.351 1.154
73 HE2 TYR 7 2HE TYR 7 4.707 6.764 1.138
74 HH TYR 7 HH TYR 7 2.430 5.072 2.544
75 H TYR 8 H TYR 8 0.936 4.839 -3.765
76 HA TYR 8 HA TYR 8 3.170 3.385 -4.776
77 1HB TYR 8 2HB TYR 8 4.176 3.279 -2.753
78 2HB TYR 8 1HB TYR 8 2.692 3.671 -1.922
79 HD1 TYR 8 1HD TYR 8 1.328 1.929 -0.905
80 HD2 TYR 8 2HD TYR 8 4.579 0.913 -3.459
81 HE1 TYR 8 1HE TYR 8 1.212 -0.361 -0.120
82 HE2 TYR 8 2HE TYR 8 4.452 -1.406 -2.699
83 HH TYR 8 HH TYR 8 3.674 -2.653 -0.762
84 H ARG 9 H ARG 9 2.682 1.120 -4.954
85 HA ARG 9 HA ARG 9 -0.178 0.498 -4.646
86 1HB ARG 9 2HB ARG 9 -0.077 -0.760 -6.751
87 2HB ARG 9 1HB ARG 9 0.378 0.918 -7.025
88 1HG ARG 9 2HG ARG 9 2.773 -0.388 -6.442
89 2HG ARG 9 1HG ARG 9 1.884 -1.493 -7.496
90 1HD ARG 9 2HD ARG 9 1.482 0.519 -9.003
91 2HD ARG 9 1HD ARG 9 2.703 1.348 -8.039
92 HE ARG 9 HE ARG 9 3.148 -0.645 -10.041
93 1HH1 ARG 9 1HH1 ARG 9 4.419 0.719 -7.089
94 2HH1 ARG 9 2HH1 ARG 9 6.050 0.247 -7.425
95 1HH2 ARG 9 1HH2 ARG 9 5.297 -1.263 -10.486
96 2HH2 ARG 9 2HH2 ARG 9 6.550 -0.877 -9.354
97 H GLY 10 H GLY 10 -0.357 -1.063 -3.180
98 1HA GLY 10 2HA GLY 10 0.526 -3.591 -3.311
99 2HA GLY 10 1HA GLY 10 1.922 -2.755 -2.653
100 H ILE 11 H ILE 11 -0.314 -0.922 -1.341
101 HA ILE 11 HA ILE 11 -0.120 -1.616 1.247
102 HB ILE 11 HB ILE 11 -2.537 -0.581 -0.207
103 1HG1 ILE 11 2HG1 ILE 11 -0.847 0.832 1.835
104 2HG1 ILE 11 1HG1 ILE 11 -0.451 0.830 0.117
105 1HG2 ILE 11 1HG2 ILE 11 -3.830 -1.178 1.508
106 2HG2 ILE 11 2HG2 ILE 11 -2.974 0.050 2.439
107 3HG2 ILE 11 3HG2 ILE 11 -2.443 -1.629 2.498
108 1HD1 ILE 11 1HD1 ILE 11 -2.725 1.759 -0.327
109 2HD1 ILE 11 2HD1 ILE 11 -1.651 2.841 0.596
110 3HD1 ILE 11 3HD1 ILE 11 -2.927 1.931 1.416
111 H TYR 12 H TYR 12 -2.620 -2.855 -0.935
112 HA TYR 12 HA TYR 12 -3.756 -4.836 -1.001
113 1HB TYR 12 2HB TYR 12 -1.553 -5.898 -0.740
114 2HB TYR 12 1HB TYR 12 -1.675 -5.742 1.007
115 HD1 TYR 12 1HD TYR 12 -2.460 -7.535 2.236
116 HD2 TYR 12 2HD TYR 12 -3.499 -7.284 -1.881
117 HE1 TYR 12 1HE TYR 12 -3.504 -9.755 2.363
118 HE2 TYR 12 2HE TYR 12 -4.540 -9.480 -1.770
119 HH TYR 12 HH TYR 12 -5.490 -10.941 0.871
120 H TYR 13 H TYR 13 -4.717 -2.796 0.578
121 HA TYR 13 HA TYR 13 -5.314 -3.209 3.191
122 1HB TYR 13 2HB TYR 13 -7.520 -2.075 2.723
123 2HB TYR 13 1HB TYR 13 -6.094 -1.224 2.150
124 HD1 TYR 13 1HD TYR 13 -5.544 -1.272 -0.321
125 HD2 TYR 13 2HD TYR 13 -9.209 -2.792 1.237
126 HE1 TYR 13 1HE TYR 13 -6.533 -1.188 -2.569
127 HE2 TYR 13 2HE TYR 13 -10.204 -2.705 -1.010
128 HH TYR 13 HH TYR 13 -9.558 -1.124 -3.249
129 H ARG 14 H ARG 14 -7.164 -4.457 0.438
130 HA ARG 14 HA ARG 14 -8.112 -6.668 2.119
131 1HB ARG 14 2HB ARG 14 -9.766 -4.993 0.219
132 2HB ARG 14 1HB ARG 14 -10.300 -6.533 0.878
133 1HG ARG 14 2HG ARG 14 -10.614 -5.683 2.980
134 2HG ARG 14 1HG ARG 14 -9.418 -4.404 2.758
135 1HD ARG 14 2HD ARG 14 -11.273 -3.753 0.875
136 2HD ARG 14 1HD ARG 14 -12.288 -4.440 2.143
137 HE ARG 14 HE ARG 14 -10.514 -2.654 3.342
138 1HH1 ARG 14 1HH1 ARG 14 -13.179 -2.586 1.092
139 2HH1 ARG 14 2HH1 ARG 14 -13.672 -0.985 1.532
140 1HH2 ARG 14 1HH2 ARG 14 -11.160 -0.549 3.921
141 2HH2 ARG 14 2HH2 ARG 14 -12.525 0.172 3.137
142 H ARG 15 H ARG 15 -8.722 -5.746 -1.255
143 HA ARG 15 HA ARG 15 -8.499 -6.945 -3.195
144 1HB ARG 15 2HB ARG 15 -5.862 -6.804 -1.866
145 2HB ARG 15 1HB ARG 15 -5.985 -7.958 -3.183
146 1HG ARG 15 2HG ARG 15 -6.428 -4.991 -3.293
147 2HG ARG 15 1HG ARG 15 -5.147 -5.935 -4.059
148 1HD ARG 15 2HD ARG 15 -7.091 -7.155 -5.255
149 2HD ARG 15 1HD ARG 15 -8.048 -5.750 -4.782
150 HE ARG 15 HE ARG 15 -7.050 -4.602 -6.472
151 1HH1 ARG 15 1HH1 ARG 15 -4.945 -7.234 -5.572
152 2HH1 ARG 15 2HH1 ARG 15 -3.794 -6.906 -6.825
153 1HH2 ARG 15 1HH2 ARG 15 -5.539 -4.169 -8.119
154 2HH2 ARG 15 2HH2 ARG 15 -4.131 -5.166 -8.269
155 H TYR 16 H TYR 16 -6.297 -8.959 -1.393
156 HA TYR 16 HA TYR 16 -6.044 -11.200 -1.340
157 1HB TYR 16 2HB TYR 16 -7.591 -12.270 0.116
158 2HB TYR 16 1HB TYR 16 -7.532 -10.585 0.614
159 HD1 TYR 16 1HD TYR 16 -9.428 -9.061 0.009
160 HD2 TYR 16 2HD TYR 16 -9.612 -13.265 -0.626
161 HE1 TYR 16 1HE TYR 16 -11.875 -8.919 -0.182
162 HE2 TYR 16 2HE TYR 16 -12.060 -13.134 -0.822
163 HH TYR 16 HH TYR 16 -13.889 -11.237 0.197
164 H ARG 17 H ARG 17 -6.969 -10.259 -3.906
165 HA ARG 17 HA ARG 17 -8.910 -12.203 -4.831
166 1HB ARG 17 2HB ARG 17 -7.598 -9.790 -5.931
167 2HB ARG 17 1HB ARG 17 -7.994 -11.042 -7.100
168 1HG ARG 17 2HG ARG 17 -10.072 -10.293 -7.160
169 2HG ARG 17 1HG ARG 17 -10.262 -10.731 -5.461
170 1HD ARG 17 2HD ARG 17 -9.349 -8.534 -4.821
171 2HD ARG 17 1HD ARG 17 -9.234 -8.102 -6.526
172 HE ARG 17 HE ARG 17 -11.494 -7.717 -6.551
173 1HH1 ARG 17 1HH1 ARG 17 -10.670 -9.464 -3.646
174 2HH1 ARG 17 2HH1 ARG 17 -12.242 -9.284 -2.941
175 1HH2 ARG 17 1HH2 ARG 17 -13.562 -7.475 -5.627
176 2HH2 ARG 17 2HH2 ARG 17 -13.886 -8.155 -4.067
Start of MODEL 28
1 1H LYS 1 1HT LYS 1 -2.208 1.550 -6.955
2 2H LYS 1 2HT LYS 1 -3.905 1.314 -6.875
3 3H LYS 1 3HT LYS 1 -2.875 0.542 -5.740
4 HA LYS 1 HA LYS 1 -2.184 2.739 -4.964
5 1HB LYS 1 2HB LYS 1 -4.189 3.444 -7.068
6 2HB LYS 1 1HB LYS 1 -4.079 4.469 -5.643
7 1HG LYS 1 2HG LYS 1 -1.584 4.603 -6.135
8 2HG LYS 1 1HG LYS 1 -1.981 3.917 -7.712
9 1HD LYS 1 2HD LYS 1 -2.250 6.065 -8.324
10 2HD LYS 1 1HD LYS 1 -3.818 5.909 -7.528
11 1HE LYS 1 2HE LYS 1 -3.104 7.737 -6.408
12 2HE LYS 1 1HE LYS 1 -2.300 6.529 -5.406
13 1HZ LYS 1 1HZ LYS 1 -0.658 8.084 -5.909
14 2HZ LYS 1 2HZ LYS 1 -1.130 8.225 -7.527
15 3HZ LYS 1 3HZ LYS 1 -0.355 6.820 -6.992
16 H TRP 2 H TRP 2 -2.807 2.439 -2.867
17 HA TRP 2 HA TRP 2 -5.089 1.062 -2.154
18 1HB TRP 2 2HB TRP 2 -3.436 1.045 -0.560
19 2HB TRP 2 1HB TRP 2 -3.116 2.760 -0.731
20 HD1 TRP 2 HD TRP 2 -3.131 2.963 1.932
21 HE1 TRP 2 1HE TRP 2 -5.069 3.219 3.599
22 HE3 TRP 2 3HE TRP 2 -6.974 1.367 -1.028
23 HZ2 TRP 2 2HZ TRP 2 -7.856 2.799 3.656
24 HZ3 TRP 2 3HZ TRP 2 -9.219 1.353 -0.108
25 HH2 TRP 2 HH TRP 2 -9.676 2.035 2.191
26 H TYR 3 H TYR 3 -4.876 4.168 -0.653
27 HA TYR 3 HA TYR 3 -7.585 4.771 -1.575
28 1HB TYR 3 2HB TYR 3 -7.865 5.933 0.616
29 2HB TYR 3 1HB TYR 3 -7.565 4.208 0.745
30 HD1 TYR 3 1HD TYR 3 -7.155 5.198 3.183
31 HD2 TYR 3 2HD TYR 3 -4.516 5.736 -0.105
32 HE1 TYR 3 1HE TYR 3 -5.303 5.622 4.737
33 HE2 TYR 3 2HE TYR 3 -2.651 6.130 1.431
34 HH TYR 3 HH TYR 3 -3.142 6.654 4.797
35 H PHE 4 H PHE 4 -6.664 7.263 0.306
36 HA PHE 4 HA PHE 4 -6.891 9.226 -1.619
37 1HB PHE 4 2HB PHE 4 -5.438 9.836 0.909
38 2HB PHE 4 1HB PHE 4 -6.705 10.746 0.098
39 HD1 PHE 4 1HD PHE 4 -5.990 7.905 2.317
40 HD2 PHE 4 2HD PHE 4 -9.013 10.356 0.596
41 HE1 PHE 4 1HE PHE 4 -7.627 6.971 3.896
42 HE2 PHE 4 2HE PHE 4 -10.660 9.432 2.174
43 HZ PHE 4 HZ PHE 4 -9.970 7.739 3.827
44 H ARG 5 H ARG 5 -3.914 8.817 0.322
45 HA ARG 5 HA ARG 5 -2.416 10.170 -1.758
46 1HB ARG 5 2HB ARG 5 -0.477 9.518 -0.050
47 2HB ARG 5 1HB ARG 5 -1.530 10.895 0.221
48 1HG ARG 5 2HG ARG 5 -2.306 8.252 1.349
49 2HG ARG 5 1HG ARG 5 -1.025 9.179 2.128
50 1HD ARG 5 2HD ARG 5 -2.448 10.751 2.886
51 2HD ARG 5 1HD ARG 5 -3.452 10.693 1.438
52 HE ARG 5 HE ARG 5 -4.119 8.394 2.531
53 1HH1 ARG 5 1HH1 ARG 5 -3.699 11.513 4.063
54 2HH1 ARG 5 2HH1 ARG 5 -4.809 11.169 5.346
55 1HH2 ARG 5 1HH2 ARG 5 -5.572 7.951 4.242
56 2HH2 ARG 5 2HH2 ARG 5 -5.865 9.156 5.448
57 H VAL 6 H VAL 6 -1.889 7.183 0.051
58 HA VAL 6 HA VAL 6 -1.084 5.187 -0.492
59 HB VAL 6 HB VAL 6 -2.596 4.288 -1.774
60 1HG1 VAL 6 1HG1 VAL 6 -3.684 6.582 -1.475
61 2HG1 VAL 6 2HG1 VAL 6 -4.347 5.468 -2.672
62 3HG1 VAL 6 3HG1 VAL 6 -3.319 6.802 -3.188
63 1HG2 VAL 6 1HG2 VAL 6 -2.568 4.589 -4.294
64 2HG2 VAL 6 2HG2 VAL 6 -1.120 3.920 -3.560
65 3HG2 VAL 6 3HG2 VAL 6 -1.159 5.611 -4.049
66 H TYR 7 H TYR 7 -0.362 7.357 -3.240
67 HA TYR 7 HA TYR 7 1.441 7.584 -4.596
68 1HB TYR 7 2HB TYR 7 3.649 7.445 -3.112
69 2HB TYR 7 1HB TYR 7 2.507 8.783 -2.981
70 HD1 TYR 7 1HD TYR 7 0.942 8.897 -1.119
71 HD2 TYR 7 2HD TYR 7 3.913 5.866 -1.309
72 HE1 TYR 7 1HE TYR 7 0.541 8.369 1.237
73 HE2 TYR 7 2HE TYR 7 3.523 5.329 1.057
74 HH TYR 7 HH TYR 7 2.623 6.581 3.105
75 H TYR 8 H TYR 8 0.657 4.634 -3.673
76 HA TYR 8 HA TYR 8 2.561 3.377 -5.401
77 1HB TYR 8 2HB TYR 8 4.015 3.085 -3.685
78 2HB TYR 8 1HB TYR 8 2.751 3.306 -2.478
79 HD1 TYR 8 1HD TYR 8 2.953 1.515 -1.010
80 HD2 TYR 8 2HD TYR 8 3.033 0.730 -5.193
81 HE1 TYR 8 1HE TYR 8 2.957 -0.880 -0.570
82 HE2 TYR 8 2HE TYR 8 3.014 -1.654 -4.759
83 HH TYR 8 HH TYR 8 3.728 -3.189 -2.870
84 H ARG 9 H ARG 9 1.787 1.530 -6.260
85 HA ARG 9 HA ARG 9 -0.918 0.811 -5.642
86 1HB ARG 9 2HB ARG 9 -0.787 0.653 -7.892
87 2HB ARG 9 1HB ARG 9 0.951 0.429 -7.859
88 1HG ARG 9 2HG ARG 9 -0.197 -1.466 -8.861
89 2HG ARG 9 1HG ARG 9 0.664 -1.930 -7.395
90 1HD ARG 9 2HD ARG 9 -1.287 -2.937 -6.875
91 2HD ARG 9 1HD ARG 9 -1.761 -1.315 -6.371
92 HE ARG 9 HE ARG 9 -2.289 -1.909 -9.143
93 1HH1 ARG 9 1HH1 ARG 9 -3.536 -2.013 -5.883
94 2HH1 ARG 9 2HH1 ARG 9 -5.192 -2.036 -6.385
95 1HH2 ARG 9 1HH2 ARG 9 -4.466 -1.936 -9.802
96 2HH2 ARG 9 2HH2 ARG 9 -5.721 -1.991 -8.609
97 H GLY 10 H GLY 10 -0.815 -0.079 -3.562
98 1HA GLY 10 2HA GLY 10 -1.025 -2.515 -2.913
99 2HA GLY 10 1HA GLY 10 0.638 -2.638 -3.455
100 H ILE 11 H ILE 11 -0.140 0.265 -1.745
101 HA ILE 11 HA ILE 11 1.726 0.417 0.072
102 HB ILE 11 HB ILE 11 -0.734 0.625 1.579
103 1HG1 ILE 11 2HG1 ILE 11 -1.538 1.048 -0.758
104 2HG1 ILE 11 1HG1 ILE 11 -1.800 2.340 0.413
105 1HG2 ILE 11 1HG2 ILE 11 1.597 2.353 0.915
106 2HG2 ILE 11 2HG2 ILE 11 1.104 1.708 2.479
107 3HG2 ILE 11 3HG2 ILE 11 0.187 3.018 1.736
108 1HD1 ILE 11 1HD1 ILE 11 0.553 2.281 -1.423
109 2HD1 ILE 11 2HD1 ILE 11 -0.080 3.636 -0.471
110 3HD1 ILE 11 3HD1 ILE 11 -0.998 3.018 -1.857
111 H TYR 12 H TYR 12 -1.171 -1.366 1.083
112 HA TYR 12 HA TYR 12 -1.435 -3.233 2.365
113 1HB TYR 12 2HB TYR 12 0.433 -4.164 0.964
114 2HB TYR 12 1HB TYR 12 1.561 -3.604 2.194
115 HD1 TYR 12 1HD TYR 12 -1.219 -5.949 1.529
116 HD2 TYR 12 2HD TYR 12 1.892 -4.825 4.205
117 HE1 TYR 12 1HE TYR 12 -1.531 -8.050 2.767
118 HE2 TYR 12 2HE TYR 12 1.588 -6.924 5.450
119 HH TYR 12 HH TYR 12 -0.043 -8.628 5.817
120 H TYR 13 H TYR 13 -0.200 -0.460 3.294
121 HA TYR 13 HA TYR 13 0.974 -1.090 5.825
122 1HB TYR 13 2HB TYR 13 1.350 1.162 6.032
123 2HB TYR 13 1HB TYR 13 1.084 1.107 4.294
124 HD1 TYR 13 1HD TYR 13 -0.726 2.302 3.305
125 HD2 TYR 13 2HD TYR 13 -0.549 1.842 7.536
126 HE1 TYR 13 1HE TYR 13 -2.570 3.902 3.558
127 HE2 TYR 13 2HE TYR 13 -2.397 3.442 7.792
128 HH TYR 13 HH TYR 13 -3.409 5.304 6.514
129 H ARG 14 H ARG 14 -2.162 0.187 4.788
130 HA ARG 14 HA ARG 14 -3.312 0.210 7.381
131 1HB ARG 14 2HB ARG 14 -4.183 1.682 5.710
132 2HB ARG 14 1HB ARG 14 -4.475 0.355 4.601
133 1HG ARG 14 2HG ARG 14 -5.877 0.382 7.227
134 2HG ARG 14 1HG ARG 14 -6.427 1.460 5.945
135 1HD ARG 14 2HD ARG 14 -6.357 -1.538 5.982
136 2HD ARG 14 1HD ARG 14 -7.720 -0.473 5.681
137 HE ARG 14 HE ARG 14 -5.504 -0.924 3.789
138 1HH1 ARG 14 1HH1 ARG 14 -8.868 -0.201 4.432
139 2HH1 ARG 14 2HH1 ARG 14 -9.307 -0.196 2.761
140 1HH2 ARG 14 1HH2 ARG 14 -6.094 -0.914 1.598
141 2HH2 ARG 14 2HH2 ARG 14 -7.739 -0.608 1.155
142 H ARG 15 H ARG 15 -2.753 -2.262 5.088
143 HA ARG 15 HA ARG 15 -4.897 -3.995 5.788
144 1HB ARG 15 2HB ARG 15 -2.335 -4.255 4.277
145 2HB ARG 15 1HB ARG 15 -3.144 -5.724 4.804
146 1HG ARG 15 2HG ARG 15 -3.680 -4.976 2.479
147 2HG ARG 15 1HG ARG 15 -5.077 -5.225 3.528
148 1HD ARG 15 2HD ARG 15 -5.522 -2.967 3.690
149 2HD ARG 15 1HD ARG 15 -3.861 -2.507 3.316
150 HE ARG 15 HE ARG 15 -4.442 -2.439 1.116
151 1HH1 ARG 15 1HH1 ARG 15 -6.758 -4.441 2.792
152 2HH1 ARG 15 2HH1 ARG 15 -7.759 -4.667 1.398
153 1HH2 ARG 15 1HH2 ARG 15 -5.759 -2.734 -0.721
154 2HH2 ARG 15 2HH2 ARG 15 -7.192 -3.699 -0.596
155 H TYR 16 H TYR 16 -1.417 -4.120 6.547
156 HA TYR 16 HA TYR 16 -0.266 -5.263 8.155
157 1HB TYR 16 2HB TYR 16 -0.860 -4.612 10.427
158 2HB TYR 16 1HB TYR 16 -1.023 -3.238 9.338
159 HD1 TYR 16 1HD TYR 16 -2.815 -5.609 11.482
160 HD2 TYR 16 2HD TYR 16 -3.203 -2.316 8.819
161 HE1 TYR 16 1HE TYR 16 -5.113 -5.248 12.273
162 HE2 TYR 16 2HE TYR 16 -5.505 -1.947 9.601
163 HH TYR 16 HH TYR 16 -7.312 -4.047 11.064
164 H ARG 17 H ARG 17 -2.025 -6.969 6.789
165 HA ARG 17 HA ARG 17 -3.732 -8.535 8.285
166 1HB ARG 17 2HB ARG 17 -2.165 -8.874 5.833
167 2HB ARG 17 1HB ARG 17 -2.494 -10.386 6.667
168 1HG ARG 17 2HG ARG 17 -4.230 -10.053 5.092
169 2HG ARG 17 1HG ARG 17 -4.913 -9.747 6.691
170 1HD ARG 17 2HD ARG 17 -3.878 -7.296 5.732
171 2HD ARG 17 1HD ARG 17 -4.807 -8.020 4.421
172 HE ARG 17 HE ARG 17 -5.853 -6.811 6.740
173 1HH1 ARG 17 1HH1 ARG 17 -6.360 -9.569 4.663
174 2HH1 ARG 17 2HH1 ARG 17 -8.053 -9.676 5.008
175 1HH2 ARG 17 1HH2 ARG 17 -8.078 -6.950 7.197
176 2HH2 ARG 17 2HH2 ARG 17 -9.030 -8.187 6.448
Start of MODEL 29
1 1H LYS 1 1HT LYS 1 -3.717 1.114 -5.488
2 2H LYS 1 2HT LYS 1 -2.519 1.700 -4.412
3 3H LYS 1 3HT LYS 1 -2.243 1.736 -6.101
4 HA LYS 1 HA LYS 1 -2.771 3.882 -5.599
5 1HB LYS 1 2HB LYS 1 -5.339 2.493 -6.388
6 2HB LYS 1 1HB LYS 1 -4.969 4.190 -6.654
7 1HG LYS 1 2HG LYS 1 -3.652 3.765 -8.434
8 2HG LYS 1 1HG LYS 1 -3.034 2.259 -7.759
9 1HD LYS 1 2HD LYS 1 -5.821 2.596 -8.856
10 2HD LYS 1 1HD LYS 1 -4.461 1.980 -9.795
11 1HE LYS 1 2HE LYS 1 -5.618 0.762 -7.289
12 2HE LYS 1 1HE LYS 1 -5.782 0.140 -8.930
13 1HZ LYS 1 1HZ LYS 1 -3.556 -0.061 -7.094
14 2HZ LYS 1 2HZ LYS 1 -3.124 0.305 -8.687
15 3HZ LYS 1 3HZ LYS 1 -4.019 -1.092 -8.354
16 H TRP 2 H TRP 2 -4.038 1.690 -3.397
17 HA TRP 2 HA TRP 2 -6.006 2.219 -2.026
18 1HB TRP 2 2HB TRP 2 -3.416 1.613 -1.210
19 2HB TRP 2 1HB TRP 2 -4.039 2.799 -0.071
20 HD1 TRP 2 HD TRP 2 -3.791 0.571 1.563
21 HE1 TRP 2 1HE TRP 2 -5.536 -1.165 2.180
22 HE3 TRP 2 3HE TRP 2 -7.084 1.313 -2.297
23 HZ2 TRP 2 2HZ TRP 2 -8.004 -2.120 1.198
24 HZ3 TRP 2 3HZ TRP 2 -9.115 -0.064 -2.367
25 HH2 TRP 2 HH TRP 2 -9.566 -1.744 -0.656
26 H TYR 3 H TYR 3 -6.903 3.967 -2.810
27 HA TYR 3 HA TYR 3 -7.274 6.322 -2.973
28 1HB TYR 3 2HB TYR 3 -8.553 6.561 -0.573
29 2HB TYR 3 1HB TYR 3 -9.212 5.744 -1.984
30 HD1 TYR 3 1HD TYR 3 -6.546 4.591 0.367
31 HD2 TYR 3 2HD TYR 3 -10.490 3.987 -1.106
32 HE1 TYR 3 1HE TYR 3 -6.648 2.467 1.587
33 HE2 TYR 3 2HE TYR 3 -10.628 1.871 0.139
34 HH TYR 3 HH TYR 3 -9.607 0.758 2.008
35 H PHE 4 H PHE 4 -7.003 6.396 0.516
36 HA PHE 4 HA PHE 4 -5.978 8.949 0.634
37 1HB PHE 4 2HB PHE 4 -5.369 8.273 3.054
38 2HB PHE 4 1HB PHE 4 -7.054 8.268 2.551
39 HD1 PHE 4 1HD PHE 4 -4.516 5.673 1.763
40 HD2 PHE 4 2HD PHE 4 -7.946 6.723 4.056
41 HE1 PHE 4 1HE PHE 4 -4.732 3.331 2.509
42 HE2 PHE 4 2HE PHE 4 -8.165 4.391 4.804
43 HZ PHE 4 HZ PHE 4 -6.557 2.696 4.034
44 H ARG 5 H ARG 5 -4.151 8.260 -1.094
45 HA ARG 5 HA ARG 5 -1.757 9.044 -0.054
46 1HB ARG 5 2HB ARG 5 -0.597 6.651 -0.382
47 2HB ARG 5 1HB ARG 5 -1.154 7.237 1.177
48 1HG ARG 5 2HG ARG 5 -2.542 5.529 1.364
49 2HG ARG 5 1HG ARG 5 -3.303 5.934 -0.172
50 1HD ARG 5 2HD ARG 5 -0.807 4.299 0.166
51 2HD ARG 5 1HD ARG 5 -2.415 3.668 -0.162
52 HE ARG 5 HE ARG 5 -1.427 5.576 -2.082
53 1HH1 ARG 5 1HH1 ARG 5 -1.651 2.221 -1.215
54 2HH1 ARG 5 2HH1 ARG 5 -1.494 1.654 -2.839
55 1HH2 ARG 5 1HH2 ARG 5 -1.210 4.833 -4.230
56 2HH2 ARG 5 2HH2 ARG 5 -1.230 3.134 -4.546
57 H VAL 6 H VAL 6 -3.069 6.675 -2.334
58 HA VAL 6 HA VAL 6 -2.322 6.102 -4.441
59 HB VAL 6 HB VAL 6 -4.096 7.502 -4.998
60 1HG1 VAL 6 1HG1 VAL 6 -2.406 9.642 -3.885
61 2HG1 VAL 6 2HG1 VAL 6 -4.150 9.381 -3.775
62 3HG1 VAL 6 3HG1 VAL 6 -3.452 10.088 -5.235
63 1HG2 VAL 6 1HG2 VAL 6 -2.262 9.014 -6.693
64 2HG2 VAL 6 2HG2 VAL 6 -3.527 7.865 -7.127
65 3HG2 VAL 6 3HG2 VAL 6 -1.928 7.280 -6.650
66 H TYR 7 H TYR 7 -0.094 6.095 -3.241
67 HA TYR 7 HA TYR 7 1.825 7.209 -5.103
68 1HB TYR 7 2HB TYR 7 3.117 8.407 -3.545
69 2HB TYR 7 1HB TYR 7 1.468 8.846 -3.123
70 HD1 TYR 7 1HD TYR 7 0.897 6.112 -1.713
71 HD2 TYR 7 2HD TYR 7 4.029 8.971 -1.383
72 HE1 TYR 7 1HE TYR 7 1.293 5.387 0.599
73 HE2 TYR 7 2HE TYR 7 4.438 8.256 0.935
74 HH TYR 7 HH TYR 7 2.282 6.199 2.637
75 H TYR 8 H TYR 8 0.662 4.636 -4.157
76 HA TYR 8 HA TYR 8 3.142 3.157 -3.816
77 1HB TYR 8 2HB TYR 8 2.507 3.554 -1.545
78 2HB TYR 8 1HB TYR 8 0.824 3.189 -1.892
79 HD1 TYR 8 1HD TYR 8 4.150 1.776 -1.294
80 HD2 TYR 8 2HD TYR 8 0.035 0.875 -1.989
81 HE1 TYR 8 1HE TYR 8 4.530 -0.548 -0.590
82 HE2 TYR 8 2HE TYR 8 0.418 -1.389 -1.293
83 HH TYR 8 HH TYR 8 2.201 -3.013 -1.076
84 H ARG 9 H ARG 9 2.486 0.652 -3.780
85 HA ARG 9 HA ARG 9 0.258 0.314 -5.655
86 1HB ARG 9 2HB ARG 9 1.587 -1.520 -6.731
87 2HB ARG 9 1HB ARG 9 2.239 0.097 -6.962
88 1HG ARG 9 2HG ARG 9 3.998 -0.275 -5.463
89 2HG ARG 9 1HG ARG 9 3.220 -1.701 -4.772
90 1HD ARG 9 2HD ARG 9 4.111 -1.551 -7.642
91 2HD ARG 9 1HD ARG 9 5.157 -2.129 -6.346
92 HE ARG 9 HE ARG 9 2.647 -3.482 -6.377
93 1HH1 ARG 9 1HH1 ARG 9 5.781 -3.363 -7.908
94 2HH1 ARG 9 2HH1 ARG 9 5.742 -5.024 -8.399
95 1HH2 ARG 9 1HH2 ARG 9 2.594 -5.665 -7.022
96 2HH2 ARG 9 2HH2 ARG 9 3.934 -6.331 -7.898
97 H GLY 10 H GLY 10 -1.275 -0.851 -4.974
98 1HA GLY 10 2HA GLY 10 -2.498 -2.251 -3.650
99 2HA GLY 10 1HA GLY 10 -1.338 -3.432 -4.229
100 H ILE 11 H ILE 11 -2.540 -1.666 -1.600
101 HA ILE 11 HA ILE 11 -0.354 -2.285 0.204
102 HB ILE 11 HB ILE 11 -3.054 -1.093 0.769
103 1HG1 ILE 11 2HG1 ILE 11 -0.442 0.152 0.044
104 2HG1 ILE 11 1HG1 ILE 11 -2.008 0.364 -0.721
105 1HG2 ILE 11 1HG2 ILE 11 -2.488 -0.943 2.931
106 2HG2 ILE 11 2HG2 ILE 11 -0.857 -0.394 2.546
107 3HG2 ILE 11 3HG2 ILE 11 -1.228 -2.118 2.557
108 1HD1 ILE 11 1HD1 ILE 11 -1.530 1.244 2.086
109 2HD1 ILE 11 2HD1 ILE 11 -2.754 1.793 0.941
110 3HD1 ILE 11 3HD1 ILE 11 -1.059 2.247 0.717
111 H TYR 12 H TYR 12 -3.858 -2.821 0.384
112 HA TYR 12 HA TYR 12 -5.057 -4.743 0.843
113 1HB TYR 12 2HB TYR 12 -2.749 -5.904 0.065
114 2HB TYR 12 1HB TYR 12 -2.722 -6.327 1.772
115 HD1 TYR 12 1HD TYR 12 -4.894 -6.488 -1.253
116 HD2 TYR 12 2HD TYR 12 -3.915 -8.181 2.527
117 HE1 TYR 12 1HE TYR 12 -6.418 -8.366 -1.704
118 HE2 TYR 12 2HE TYR 12 -5.436 -10.061 2.085
119 HH TYR 12 HH TYR 12 -7.340 -10.608 0.718
120 H TYR 13 H TYR 13 -4.249 -2.592 2.607
121 HA TYR 13 HA TYR 13 -3.562 -3.486 5.165
122 1HB TYR 13 2HB TYR 13 -3.562 -1.289 5.577
123 2HB TYR 13 1HB TYR 13 -4.174 -1.029 3.951
124 HD1 TYR 13 1HD TYR 13 -5.311 -1.690 7.438
125 HD2 TYR 13 2HD TYR 13 -6.255 -0.021 3.638
126 HE1 TYR 13 1HE TYR 13 -7.371 -0.729 8.377
127 HE2 TYR 13 2HE TYR 13 -8.316 0.943 4.567
128 HH TYR 13 HH TYR 13 -9.852 0.540 6.451
129 H ARG 14 H ARG 14 -6.788 -2.740 3.839
130 HA ARG 14 HA ARG 14 -8.093 -3.860 6.157
131 1HB ARG 14 2HB ARG 14 -8.870 -1.914 4.554
132 2HB ARG 14 1HB ARG 14 -9.562 -3.239 3.628
133 1HG ARG 14 2HG ARG 14 -10.179 -2.482 6.475
134 2HG ARG 14 1HG ARG 14 -11.247 -2.368 5.073
135 1HD ARG 14 2HD ARG 14 -10.944 -4.897 4.861
136 2HD ARG 14 1HD ARG 14 -10.269 -4.832 6.487
137 HE ARG 14 HE ARG 14 -12.377 -4.474 7.325
138 1HH1 ARG 14 1HH1 ARG 14 -12.436 -4.087 3.856
139 2HH1 ARG 14 2HH1 ARG 14 -14.164 -4.027 3.768
140 1HH2 ARG 14 1HH2 ARG 14 -14.649 -4.395 7.209
141 2HH2 ARG 14 2HH2 ARG 14 -15.420 -4.202 5.670
142 H ARG 15 H ARG 15 -7.769 -4.740 2.729
143 HA ARG 15 HA ARG 15 -9.342 -7.002 2.664
144 1HB ARG 15 2HB ARG 15 -6.671 -6.813 1.275
145 2HB ARG 15 1HB ARG 15 -8.097 -7.699 0.751
146 1HG ARG 15 2HG ARG 15 -9.104 -5.203 0.849
147 2HG ARG 15 1HG ARG 15 -7.419 -4.851 0.455
148 1HD ARG 15 2HD ARG 15 -8.717 -7.030 -1.067
149 2HD ARG 15 1HD ARG 15 -9.279 -5.393 -1.396
150 HE ARG 15 HE ARG 15 -6.867 -6.536 -2.286
151 1HH1 ARG 15 1HH1 ARG 15 -8.115 -3.553 -0.976
152 2HH1 ARG 15 2HH1 ARG 15 -6.913 -2.569 -1.742
153 1HH2 ARG 15 1HH2 ARG 15 -5.285 -5.243 -3.294
154 2HH2 ARG 15 2HH2 ARG 15 -5.308 -3.528 -3.059
155 H TYR 16 H TYR 16 -9.345 -8.604 4.102
156 HA TYR 16 HA TYR 16 -6.768 -9.848 4.786
157 1HB TYR 16 2HB TYR 16 -7.764 -8.447 6.657
158 2HB TYR 16 1HB TYR 16 -9.078 -9.618 6.716
159 HD1 TYR 16 1HD TYR 16 -5.403 -9.264 7.087
160 HD2 TYR 16 2HD TYR 16 -8.839 -11.636 7.901
161 HE1 TYR 16 1HE TYR 16 -4.061 -10.685 8.580
162 HE2 TYR 16 2HE TYR 16 -7.508 -13.062 9.398
163 HH TYR 16 HH TYR 16 -4.363 -13.301 9.393
164 H ARG 17 H ARG 17 -6.767 -12.084 5.045
165 HA ARG 17 HA ARG 17 -8.513 -13.540 3.414
166 1HB ARG 17 2HB ARG 17 -6.364 -14.192 5.345
167 2HB ARG 17 1HB ARG 17 -7.499 -15.486 4.984
168 1HG ARG 17 2HG ARG 17 -5.528 -15.573 3.549
169 2HG ARG 17 1HG ARG 17 -7.002 -15.300 2.619
170 1HD ARG 17 2HD ARG 17 -6.202 -13.398 1.798
171 2HD ARG 17 1HD ARG 17 -5.855 -12.789 3.417
172 HE ARG 17 HE ARG 17 -3.994 -13.968 1.565
173 1HH1 ARG 17 1HH1 ARG 17 -4.642 -13.262 4.920
174 2HH1 ARG 17 2HH1 ARG 17 -2.972 -13.290 5.378
175 1HH2 ARG 17 1HH2 ARG 17 -1.797 -14.004 2.165
176 2HH2 ARG 17 2HH2 ARG 17 -1.357 -13.710 3.815
Start of MODEL 30
1 1H LYS 1 1HT LYS 1 -4.930 0.599 -6.648
2 2H LYS 1 2HT LYS 1 -6.332 1.425 -6.105
3 3H LYS 1 3HT LYS 1 -5.933 -0.113 -5.456
4 HA LYS 1 HA LYS 1 -3.953 0.779 -4.502
5 1HB LYS 1 2HB LYS 1 -4.718 3.580 -4.818
6 2HB LYS 1 1HB LYS 1 -3.147 2.827 -5.021
7 1HG LYS 1 2HG LYS 1 -5.264 2.626 -7.138
8 2HG LYS 1 1HG LYS 1 -4.186 4.017 -7.025
9 1HD LYS 1 2HD LYS 1 -2.440 1.916 -6.854
10 2HD LYS 1 1HD LYS 1 -3.657 1.299 -7.972
11 1HE LYS 1 2HE LYS 1 -3.407 3.448 -9.256
12 2HE LYS 1 1HE LYS 1 -2.020 3.813 -8.230
13 1HZ LYS 1 1HZ LYS 1 -0.931 2.767 -9.883
14 2HZ LYS 1 2HZ LYS 1 -2.279 1.877 -10.384
15 3HZ LYS 1 3HZ LYS 1 -1.384 1.371 -9.041
16 H TRP 2 H TRP 2 -4.027 1.509 -2.312
17 HA TRP 2 HA TRP 2 -6.694 1.452 -1.245
18 1HB TRP 2 2HB TRP 2 -4.711 0.252 -0.278
19 2HB TRP 2 1HB TRP 2 -4.141 1.823 0.245
20 HD1 TRP 2 HD TRP 2 -4.300 0.547 2.686
21 HE1 TRP 2 1HE TRP 2 -6.239 0.569 4.375
22 HE3 TRP 2 3HE TRP 2 -8.125 1.861 -0.459
23 HZ2 TRP 2 2HZ TRP 2 -9.015 1.045 4.376
24 HZ3 TRP 2 3HZ TRP 2 -10.389 2.063 0.470
25 HH2 TRP 2 HH TRP 2 -10.824 1.664 2.837
26 H TYR 3 H TYR 3 -6.945 3.506 -2.557
27 HA TYR 3 HA TYR 3 -6.991 5.814 -2.780
28 1HB TYR 3 2HB TYR 3 -8.770 6.588 -1.471
29 2HB TYR 3 1HB TYR 3 -8.999 4.844 -1.504
30 HD1 TYR 3 1HD TYR 3 -9.491 7.438 0.560
31 HD2 TYR 3 2HD TYR 3 -7.307 3.806 0.539
32 HE1 TYR 3 1HE TYR 3 -9.530 7.397 3.019
33 HE2 TYR 3 2HE TYR 3 -7.312 3.742 2.977
34 HH TYR 3 HH TYR 3 -7.594 5.245 4.854
35 H PHE 4 H PHE 4 -7.305 7.822 -1.055
36 HA PHE 4 HA PHE 4 -5.735 9.550 -0.695
37 1HB PHE 4 2HB PHE 4 -5.933 10.017 1.543
38 2HB PHE 4 1HB PHE 4 -7.331 9.002 1.208
39 HD1 PHE 4 1HD PHE 4 -5.500 9.734 3.777
40 HD2 PHE 4 2HD PHE 4 -6.100 6.313 1.328
41 HE1 PHE 4 1HE PHE 4 -4.813 8.286 5.643
42 HE2 PHE 4 2HE PHE 4 -5.417 4.850 3.191
43 HZ PHE 4 HZ PHE 4 -4.772 5.842 5.351
44 H ARG 5 H ARG 5 -4.001 7.495 -1.626
45 HA ARG 5 HA ARG 5 -1.674 8.350 -0.196
46 1HB ARG 5 2HB ARG 5 -2.070 5.402 -0.567
47 2HB ARG 5 1HB ARG 5 -0.817 6.201 0.364
48 1HG ARG 5 2HG ARG 5 -3.727 6.350 1.101
49 2HG ARG 5 1HG ARG 5 -2.668 5.066 1.664
50 1HD ARG 5 2HD ARG 5 -3.060 7.275 3.068
51 2HD ARG 5 1HD ARG 5 -1.517 6.430 3.067
52 HE ARG 5 HE ARG 5 -2.060 8.772 1.344
53 1HH1 ARG 5 1HH1 ARG 5 0.014 7.028 3.571
54 2HH1 ARG 5 2HH1 ARG 5 1.309 8.168 3.442
55 1HH2 ARG 5 1HH2 ARG 5 -0.348 10.255 1.186
56 2HH2 ARG 5 2HH2 ARG 5 1.106 9.994 2.091
57 H VAL 6 H VAL 6 -2.626 5.835 -2.468
58 HA VAL 6 HA VAL 6 -1.987 5.337 -4.565
59 HB VAL 6 HB VAL 6 -2.964 6.991 -5.654
60 1HG1 VAL 6 1HG1 VAL 6 -1.876 9.144 -3.844
61 2HG1 VAL 6 2HG1 VAL 6 -3.255 8.141 -3.394
62 3HG1 VAL 6 3HG1 VAL 6 -3.339 9.168 -4.826
63 1HG2 VAL 6 1HG2 VAL 6 -0.251 8.312 -5.547
64 2HG2 VAL 6 2HG2 VAL 6 -1.544 8.725 -6.674
65 3HG2 VAL 6 3HG2 VAL 6 -0.791 7.131 -6.738
66 H TYR 7 H TYR 7 0.386 7.606 -3.149
67 HA TYR 7 HA TYR 7 2.482 7.440 -4.845
68 1HB TYR 7 2HB TYR 7 3.910 7.966 -3.018
69 2HB TYR 7 1HB TYR 7 2.345 8.674 -2.634
70 HD1 TYR 7 1HD TYR 7 4.985 7.231 -1.127
71 HD2 TYR 7 2HD TYR 7 0.782 6.632 -1.428
72 HE1 TYR 7 1HE TYR 7 5.005 6.049 1.028
73 HE2 TYR 7 2HE TYR 7 0.789 5.443 0.735
74 HH TYR 7 HH TYR 7 2.168 5.309 2.750
75 H TYR 8 H TYR 8 1.344 4.939 -2.740
76 HA TYR 8 HA TYR 8 3.597 3.186 -3.266
77 1HB TYR 8 2HB TYR 8 2.554 1.771 -1.539
78 2HB TYR 8 1HB TYR 8 2.692 3.445 -0.982
79 HD1 TYR 8 1HD TYR 8 0.785 3.547 0.555
80 HD2 TYR 8 2HD TYR 8 0.385 2.146 -3.356
81 HE1 TYR 8 1HE TYR 8 -1.648 3.801 0.721
82 HE2 TYR 8 2HE TYR 8 -2.041 2.306 -3.269
83 HH TYR 8 HH TYR 8 -3.679 3.773 -1.879
84 H ARG 9 H ARG 9 0.459 3.754 -4.477
85 HA ARG 9 HA ARG 9 -0.804 2.753 -6.082
86 1HB ARG 9 2HB ARG 9 0.561 1.941 -7.673
87 2HB ARG 9 1HB ARG 9 1.794 1.512 -6.493
88 1HG ARG 9 2HG ARG 9 -0.438 -0.281 -6.303
89 2HG ARG 9 1HG ARG 9 0.169 -0.219 -7.965
90 1HD ARG 9 2HD ARG 9 2.204 -0.381 -5.834
91 2HD ARG 9 1HD ARG 9 1.201 -1.815 -6.055
92 HE ARG 9 HE ARG 9 2.142 -0.952 -8.559
93 1HH1 ARG 9 1HH1 ARG 9 3.317 -2.406 -5.613
94 2HH1 ARG 9 2HH1 ARG 9 4.623 -3.232 -6.395
95 1HH2 ARG 9 1HH2 ARG 9 3.856 -2.038 -9.588
96 2HH2 ARG 9 2HH2 ARG 9 4.930 -3.023 -8.651
97 H GLY 10 H GLY 10 0.845 0.350 -4.028
98 1HA GLY 10 2HA GLY 10 -1.778 -0.609 -3.125
99 2HA GLY 10 1HA GLY 10 -0.584 -1.771 -3.703
100 H ILE 11 H ILE 11 -1.195 0.712 -1.286
101 HA ILE 11 HA ILE 11 0.544 1.197 0.416
102 HB ILE 11 HB ILE 11 -1.359 -0.772 1.558
103 1HG1 ILE 11 2HG1 ILE 11 -2.120 1.509 0.126
104 2HG1 ILE 11 1HG1 ILE 11 -3.118 0.373 0.998
105 1HG2 ILE 11 1HG2 ILE 11 0.425 0.130 3.001
106 2HG2 ILE 11 2HG2 ILE 11 -1.202 0.495 3.575
107 3HG2 ILE 11 3HG2 ILE 11 -0.256 1.738 2.755
108 1HD1 ILE 11 1HD1 ILE 11 -3.621 2.565 1.796
109 2HD1 ILE 11 2HD1 ILE 11 -1.901 2.899 2.086
110 3HD1 ILE 11 3HD1 ILE 11 -2.741 1.691 3.057
111 H TYR 12 H TYR 12 -0.437 -2.033 1.310
112 HA TYR 12 HA TYR 12 1.205 -3.904 0.890
113 1HB TYR 12 2HB TYR 12 3.223 -2.620 0.732
114 2HB TYR 12 1HB TYR 12 2.948 -1.874 2.301
115 HD1 TYR 12 1HD TYR 12 3.951 -4.978 0.586
116 HD2 TYR 12 2HD TYR 12 3.588 -2.981 4.324
117 HE1 TYR 12 1HE TYR 12 5.313 -6.728 1.645
118 HE2 TYR 12 2HE TYR 12 4.951 -4.726 5.394
119 HH TYR 12 HH TYR 12 5.624 -7.006 5.052
120 H TYR 13 H TYR 13 -0.299 -2.016 3.228
121 HA TYR 13 HA TYR 13 0.273 -3.340 5.602
122 1HB TYR 13 2HB TYR 13 -1.501 -2.178 6.540
123 2HB TYR 13 1HB TYR 13 -1.089 -1.171 5.160
124 HD1 TYR 13 1HD TYR 13 -2.467 -1.566 2.994
125 HD2 TYR 13 2HD TYR 13 -3.689 -2.889 6.847
126 HE1 TYR 13 1HE TYR 13 -4.790 -1.706 2.202
127 HE2 TYR 13 2HE TYR 13 -6.016 -3.033 6.067
128 HH TYR 13 HH TYR 13 -7.309 -1.647 3.868
129 H ARG 14 H ARG 14 -2.226 -4.035 3.172
130 HA ARG 14 HA ARG 14 -3.438 -6.150 4.591
131 1HB ARG 14 2HB ARG 14 -3.554 -5.041 1.880
132 2HB ARG 14 1HB ARG 14 -3.864 -6.770 1.947
133 1HG ARG 14 2HG ARG 14 -5.711 -6.481 3.386
134 2HG ARG 14 1HG ARG 14 -5.293 -4.796 3.700
135 1HD ARG 14 2HD ARG 14 -6.388 -6.013 1.182
136 2HD ARG 14 1HD ARG 14 -7.093 -4.741 2.176
137 HE ARG 14 HE ARG 14 -4.799 -3.611 1.367
138 1HH1 ARG 14 1HH1 ARG 14 -7.309 -5.288 -0.387
139 2HH1 ARG 14 2HH1 ARG 14 -7.053 -4.398 -1.851
140 1HH2 ARG 14 1HH2 ARG 14 -4.463 -2.440 -0.557
141 2HH2 ARG 14 2HH2 ARG 14 -5.438 -2.782 -1.947
142 H ARG 15 H ARG 15 -1.229 -6.300 1.800
143 HA ARG 15 HA ARG 15 -0.821 -9.050 1.827
144 1HB ARG 15 2HB ARG 15 1.576 -8.253 0.908
145 2HB ARG 15 1HB ARG 15 0.120 -8.240 -0.071
146 1HG ARG 15 2HG ARG 15 0.640 -5.797 1.493
147 2HG ARG 15 1HG ARG 15 1.782 -6.146 0.195
148 1HD ARG 15 2HD ARG 15 -1.169 -5.638 0.021
149 2HD ARG 15 1HD ARG 15 0.144 -4.817 -0.810
150 HE ARG 15 HE ARG 15 0.312 -6.640 -2.302
151 1HH1 ARG 15 1HH1 ARG 15 -2.327 -7.004 -0.034
152 2HH1 ARG 15 2HH1 ARG 15 -3.151 -8.180 -0.997
153 1HH2 ARG 15 1HH2 ARG 15 -0.778 -8.191 -3.559
154 2HH2 ARG 15 2HH2 ARG 15 -2.273 -8.857 -2.994
155 H TYR 16 H TYR 16 1.511 -6.647 3.061
156 HA TYR 16 HA TYR 16 3.032 -6.739 4.749
157 1HB TYR 16 2HB TYR 16 0.981 -7.020 6.106
158 2HB TYR 16 1HB TYR 16 1.113 -8.765 5.920
159 HD1 TYR 16 1HD TYR 16 3.355 -5.946 6.947
160 HD2 TYR 16 2HD TYR 16 1.948 -9.880 7.748
161 HE1 TYR 16 1HE TYR 16 4.786 -6.044 8.945
162 HE2 TYR 16 2HE TYR 16 3.374 -9.990 9.748
163 HH TYR 16 HH TYR 16 5.342 -8.963 10.666
164 H ARG 17 H ARG 17 3.609 -8.323 2.523
165 HA ARG 17 HA ARG 17 4.221 -10.967 2.838
166 1HB ARG 17 2HB ARG 17 6.357 -9.276 1.625
167 2HB ARG 17 1HB ARG 17 5.675 -10.791 1.059
168 1HG ARG 17 2HG ARG 17 4.194 -8.175 0.962
169 2HG ARG 17 1HG ARG 17 5.191 -8.782 -0.352
170 1HD ARG 17 2HD ARG 17 2.642 -9.225 -0.373
171 2HD ARG 17 1HD ARG 17 3.749 -10.513 -0.829
172 HE ARG 17 HE ARG 17 2.532 -10.311 1.850
173 1HH1 ARG 17 1HH1 ARG 17 3.473 -12.199 -0.943
174 2HH1 ARG 17 2HH1 ARG 17 2.960 -13.698 -0.248
175 1HH2 ARG 17 1HH2 ARG 17 1.863 -12.286 2.750
176 2HH2 ARG 17 2HH2 ARG 17 2.049 -13.749 1.841
Start of MODEL 31
1 1H LYS 1 1HT LYS 1 -1.195 1.860 -4.146
2 2H LYS 1 2HT LYS 1 -2.556 1.370 -3.223
3 3H LYS 1 3HT LYS 1 -1.312 2.299 -2.497
4 HA LYS 1 HA LYS 1 -2.196 4.170 -3.123
5 1HB LYS 1 2HB LYS 1 -2.456 2.807 -5.814
6 2HB LYS 1 1HB LYS 1 -2.909 4.483 -5.540
7 1HG LYS 1 2HG LYS 1 -0.567 4.915 -4.818
8 2HG LYS 1 1HG LYS 1 -0.171 3.274 -5.314
9 1HD LYS 1 2HD LYS 1 -1.609 4.744 -7.367
10 2HD LYS 1 1HD LYS 1 -0.094 5.524 -6.911
11 1HE LYS 1 2HE LYS 1 0.868 4.104 -8.346
12 2HE LYS 1 1HE LYS 1 0.631 2.889 -7.089
13 1HZ LYS 1 1HZ LYS 1 -0.211 2.373 -9.424
14 2HZ LYS 1 2HZ LYS 1 -1.469 3.451 -9.088
15 3HZ LYS 1 3HZ LYS 1 -1.261 2.071 -8.133
16 H TRP 2 H TRP 2 -3.831 2.128 -1.886
17 HA TRP 2 HA TRP 2 -6.192 1.703 -3.198
18 1HB TRP 2 2HB TRP 2 -7.183 2.017 -0.664
19 2HB TRP 2 1HB TRP 2 -6.652 0.545 -1.412
20 HD1 TRP 2 HD TRP 2 -5.430 -0.851 0.165
21 HE1 TRP 2 1HE TRP 2 -3.928 -0.533 2.215
22 HE3 TRP 2 3HE TRP 2 -4.993 4.276 0.232
23 HZ2 TRP 2 2HZ TRP 2 -2.705 1.472 3.636
24 HZ3 TRP 2 3HZ TRP 2 -3.637 5.263 2.016
25 HH2 TRP 2 HH TRP 2 -2.502 3.905 3.662
26 H TYR 3 H TYR 3 -5.463 4.607 -1.264
27 HA TYR 3 HA TYR 3 -7.189 6.171 -2.807
28 1HB TYR 3 2HB TYR 3 -8.846 6.597 -0.938
29 2HB TYR 3 1HB TYR 3 -8.964 5.079 -1.799
30 HD1 TYR 3 1HD TYR 3 -6.568 3.809 -0.226
31 HD2 TYR 3 2HD TYR 3 -10.106 5.808 0.979
32 HE1 TYR 3 1HE TYR 3 -6.506 2.552 1.847
33 HE2 TYR 3 2HE TYR 3 -10.082 4.553 3.098
34 HH TYR 3 HH TYR 3 -8.115 1.842 3.608
35 H PHE 4 H PHE 4 -6.989 6.550 0.711
36 HA PHE 4 HA PHE 4 -6.144 9.193 0.453
37 1HB PHE 4 2HB PHE 4 -5.708 9.126 2.903
38 2HB PHE 4 1HB PHE 4 -7.335 8.714 2.395
39 HD1 PHE 4 1HD PHE 4 -5.610 5.776 1.723
40 HD2 PHE 4 2HD PHE 4 -6.860 8.174 5.015
41 HE1 PHE 4 1HE PHE 4 -5.543 3.772 3.205
42 HE2 PHE 4 2HE PHE 4 -6.794 6.209 6.479
43 HZ PHE 4 HZ PHE 4 -6.140 4.018 5.582
44 H ARG 5 H ARG 5 -4.287 8.503 -1.072
45 HA ARG 5 HA ARG 5 -1.969 9.449 -0.061
46 1HB ARG 5 2HB ARG 5 -0.652 7.121 -0.106
47 2HB ARG 5 1HB ARG 5 -1.293 7.833 1.358
48 1HG ARG 5 2HG ARG 5 -1.962 5.661 1.526
49 2HG ARG 5 1HG ARG 5 -3.391 6.415 0.836
50 1HD ARG 5 2HD ARG 5 -2.628 4.200 -0.141
51 2HD ARG 5 1HD ARG 5 -3.016 5.489 -1.261
52 HE ARG 5 HE ARG 5 -0.863 5.434 -1.971
53 1HH1 ARG 5 1HH1 ARG 5 -0.993 4.079 1.250
54 2HH1 ARG 5 2HH1 ARG 5 0.607 3.425 1.180
55 1HH2 ARG 5 1HH2 ARG 5 1.251 4.554 -2.038
56 2HH2 ARG 5 2HH2 ARG 5 1.872 3.707 -0.666
57 H VAL 6 H VAL 6 -2.829 6.632 -2.028
58 HA VAL 6 HA VAL 6 -2.045 5.884 -4.032
59 HB VAL 6 HB VAL 6 -3.905 7.066 -4.781
60 1HG1 VAL 6 1HG1 VAL 6 -2.292 9.536 -4.262
61 2HG1 VAL 6 2HG1 VAL 6 -3.804 9.031 -3.511
62 3HG1 VAL 6 3HG1 VAL 6 -3.790 9.555 -5.196
63 1HG2 VAL 6 1HG2 VAL 6 -2.079 8.491 -6.593
64 2HG2 VAL 6 2HG2 VAL 6 -3.349 7.320 -6.948
65 3HG2 VAL 6 3HG2 VAL 6 -1.764 6.765 -6.407
66 H TYR 7 H TYR 7 0.237 5.880 -3.213
67 HA TYR 7 HA TYR 7 1.884 7.328 -5.100
68 1HB TYR 7 2HB TYR 7 3.457 8.128 -3.464
69 2HB TYR 7 1HB TYR 7 1.852 8.700 -3.038
70 HD1 TYR 7 1HD TYR 7 0.576 6.923 -1.420
71 HD2 TYR 7 2HD TYR 7 4.778 7.497 -1.687
72 HE1 TYR 7 1HE TYR 7 0.827 6.027 0.862
73 HE2 TYR 7 2HE TYR 7 5.052 6.612 0.593
74 HH TYR 7 HH TYR 7 3.463 4.889 2.105
75 H TYR 8 H TYR 8 0.996 4.480 -3.840
76 HA TYR 8 HA TYR 8 3.230 3.043 -4.891
77 1HB TYR 8 2HB TYR 8 4.340 3.083 -2.923
78 2HB TYR 8 1HB TYR 8 2.895 3.528 -2.034
79 HD1 TYR 8 1HD TYR 8 4.645 0.643 -3.575
80 HD2 TYR 8 2HD TYR 8 1.662 1.840 -0.762
81 HE1 TYR 8 1HE TYR 8 4.552 -1.631 -2.709
82 HE2 TYR 8 2HE TYR 8 1.601 -0.403 0.116
83 HH TYR 8 HH TYR 8 3.942 -2.791 -0.685
84 H ARG 9 H ARG 9 2.654 0.972 -5.418
85 HA ARG 9 HA ARG 9 -0.106 0.165 -4.760
86 1HB ARG 9 2HB ARG 9 0.084 -1.334 -6.716
87 2HB ARG 9 1HB ARG 9 0.372 0.343 -7.163
88 1HG ARG 9 2HG ARG 9 2.388 -0.137 -7.943
89 2HG ARG 9 1HG ARG 9 2.844 -0.951 -6.442
90 1HD ARG 9 2HD ARG 9 3.025 -2.585 -8.130
91 2HD ARG 9 1HD ARG 9 1.514 -2.936 -7.294
92 HE ARG 9 HE ARG 9 0.322 -2.231 -9.167
93 1HH1 ARG 9 1HH1 ARG 9 3.761 -1.833 -9.660
94 2HH1 ARG 9 2HH1 ARG 9 3.614 -1.647 -11.374
95 1HH2 ARG 9 1HH2 ARG 9 0.136 -1.985 -11.418
96 2HH2 ARG 9 2HH2 ARG 9 1.559 -1.731 -12.372
97 H GLY 10 H GLY 10 -0.331 -1.502 -3.332
98 1HA GLY 10 2HA GLY 10 0.618 -3.897 -3.078
99 2HA GLY 10 1HA GLY 10 2.115 -3.026 -2.753
100 H ILE 11 H ILE 11 -0.123 -1.091 -1.460
101 HA ILE 11 HA ILE 11 0.639 -1.367 1.126
102 HB ILE 11 HB ILE 11 -2.184 -0.623 0.563
103 1HG1 ILE 11 2HG1 ILE 11 0.162 1.184 0.112
104 2HG1 ILE 11 1HG1 ILE 11 -0.837 0.483 -1.164
105 1HG2 ILE 11 1HG2 ILE 11 -2.018 -0.232 2.755
106 2HG2 ILE 11 2HG2 ILE 11 -1.144 1.220 2.254
107 3HG2 ILE 11 3HG2 ILE 11 -0.252 -0.228 2.704
108 1HD1 ILE 11 1HD1 ILE 11 -1.521 2.754 -0.688
109 2HD1 ILE 11 2HD1 ILE 11 -1.777 2.337 1.000
110 3HD1 ILE 11 3HD1 ILE 11 -2.804 1.624 -0.244
111 H TYR 12 H TYR 12 -0.833 -1.830 3.002
112 HA TYR 12 HA TYR 12 -1.590 -4.636 2.940
113 1HB TYR 12 2HB TYR 12 0.035 -3.659 4.608
114 2HB TYR 12 1HB TYR 12 -1.297 -2.731 5.277
115 HD1 TYR 12 1HD TYR 12 -3.026 -3.822 6.608
116 HD2 TYR 12 2HD TYR 12 0.240 -6.031 5.007
117 HE1 TYR 12 1HE TYR 12 -3.527 -5.673 8.149
118 HE2 TYR 12 2HE TYR 12 -0.256 -7.889 6.537
119 HH TYR 12 HH TYR 12 -3.147 -8.004 8.419
120 H TYR 13 H TYR 13 -3.617 -4.129 1.753
121 HA TYR 13 HA TYR 13 -5.625 -2.701 3.313
122 1HB TYR 13 2HB TYR 13 -6.983 -3.512 1.095
123 2HB TYR 13 1HB TYR 13 -6.123 -1.990 1.235
124 HD1 TYR 13 1HD TYR 13 -3.623 -2.012 0.459
125 HD2 TYR 13 2HD TYR 13 -6.482 -4.970 -0.634
126 HE1 TYR 13 1HE TYR 13 -2.229 -2.643 -1.466
127 HE2 TYR 13 2HE TYR 13 -5.095 -5.610 -2.555
128 HH TYR 13 HH TYR 13 -3.366 -4.774 -3.940
129 H ARG 14 H ARG 14 -6.427 -5.410 1.217
130 HA ARG 14 HA ARG 14 -8.310 -6.553 2.850
131 1HB ARG 14 2HB ARG 14 -6.564 -7.658 0.679
132 2HB ARG 14 1HB ARG 14 -7.615 -8.742 1.583
133 1HG ARG 14 2HG ARG 14 -8.447 -6.360 -0.059
134 2HG ARG 14 1HG ARG 14 -8.724 -8.063 -0.431
135 1HD ARG 14 2HD ARG 14 -9.963 -8.105 1.843
136 2HD ARG 14 1HD ARG 14 -10.004 -6.352 1.668
137 HE ARG 14 HE ARG 14 -11.573 -8.266 0.230
138 1HH1 ARG 14 1HH1 ARG 14 -10.149 -5.086 0.079
139 2HH1 ARG 14 2HH1 ARG 14 -11.295 -4.491 -1.076
140 1HH2 ARG 14 1HH2 ARG 14 -13.083 -7.486 -1.286
141 2HH2 ARG 14 2HH2 ARG 14 -12.963 -5.853 -1.850
142 H ARG 15 H ARG 15 -4.873 -6.760 3.053
143 HA ARG 15 HA ARG 15 -4.493 -9.080 4.524
144 1HB ARG 15 2HB ARG 15 -2.922 -6.637 5.209
145 2HB ARG 15 1HB ARG 15 -2.367 -8.288 5.004
146 1HG ARG 15 2HG ARG 15 -2.992 -6.242 2.895
147 2HG ARG 15 1HG ARG 15 -1.472 -7.078 3.204
148 1HD ARG 15 2HD ARG 15 -3.975 -8.134 1.933
149 2HD ARG 15 1HD ARG 15 -2.326 -8.145 1.307
150 HE ARG 15 HE ARG 15 -3.541 -10.125 2.950
151 1HH1 ARG 15 1HH1 ARG 15 -0.497 -8.562 2.268
152 2HH1 ARG 15 2HH1 ARG 15 0.455 -9.904 2.808
153 1HH2 ARG 15 1HH2 ARG 15 -2.292 -11.889 3.663
154 2HH2 ARG 15 2HH2 ARG 15 -0.564 -11.794 3.600
155 H TYR 16 H TYR 16 -5.877 -6.049 5.470
156 HA TYR 16 HA TYR 16 -5.488 -5.976 8.195
157 1HB TYR 16 2HB TYR 16 -7.067 -4.612 6.360
158 2HB TYR 16 1HB TYR 16 -8.228 -5.286 7.497
159 HD1 TYR 16 1HD TYR 16 -4.779 -3.967 8.032
160 HD2 TYR 16 2HD TYR 16 -8.932 -3.540 8.848
161 HE1 TYR 16 1HE TYR 16 -4.275 -2.146 9.607
162 HE2 TYR 16 2HE TYR 16 -8.440 -1.719 10.427
163 HH TYR 16 HH TYR 16 -6.562 -0.027 10.759
164 H ARG 17 H ARG 17 -7.449 -8.185 6.376
165 HA ARG 17 HA ARG 17 -9.305 -9.010 8.254
166 1HB ARG 17 2HB ARG 17 -9.708 -10.820 6.891
167 2HB ARG 17 1HB ARG 17 -8.888 -9.745 5.770
168 1HG ARG 17 2HG ARG 17 -7.680 -12.087 7.225
169 2HG ARG 17 1HG ARG 17 -8.057 -11.985 5.505
170 1HD ARG 17 2HD ARG 17 -5.939 -11.328 5.241
171 2HD ARG 17 1HD ARG 17 -6.463 -9.786 5.913
172 HE ARG 17 HE ARG 17 -5.150 -10.230 7.712
173 1HH1 ARG 17 1HH1 ARG 17 -6.049 -13.274 6.264
174 2HH1 ARG 17 2HH1 ARG 17 -5.113 -14.220 7.369
175 1HH2 ARG 17 1HH2 ARG 17 -3.914 -11.473 9.167
176 2HH2 ARG 17 2HH2 ARG 17 -3.899 -13.200 9.017
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