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 |
|
|
12287 |
1srb   |
1811 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H CYS 1 1H CYS 1 7.690 2.281 2.281
2 2H CYS 1 3H CYS 1 6.682 3.075 3.075
3 3H CYS 1 2H CYS 1 6.801 3.645 3.645
4 HA CYS 1 HA CYS 1 5.116 2.388 2.388
5 1HB CYS 1 2HB CYS 1 5.254 1.183 1.183
6 2HB CYS 1 1HB CYS 1 3.882 1.105 1.105
7 H SER 2 H SER 2 4.253 0.073 0.073
8 HA SER 2 HA SER 2 6.477 -1.885 -1.885
9 1HB SER 2 2HB SER 2 5.272 -2.637 -2.637
10 2HB SER 2 1HB SER 2 5.801 -0.949 -0.949
11 HG SER 2 HG SER 2 3.324 -1.956 -1.956
12 H CYS 3 H CYS 3 6.148 -3.700 -3.700
13 HA CYS 3 HA CYS 3 3.390 -4.553 -4.553
14 1HB CYS 3 2HB CYS 3 5.929 -5.163 -5.163
15 2HB CYS 3 1HB CYS 3 4.294 -5.335 -5.335
16 H LYS 4 H LYS 4 3.400 -5.639 -5.639
17 HA LYS 4 HA LYS 4 5.195 -8.025 -8.025
18 1HB LYS 4 2HB LYS 4 5.274 -6.288 -6.288
19 2HB LYS 4 1HB LYS 4 3.639 -6.740 -6.740
20 1HG LYS 4 2HG LYS 4 4.371 -9.075 -9.075
21 2HG LYS 4 1HG LYS 4 5.983 -8.690 -8.690
22 1HD LYS 4 2HD LYS 4 6.160 -6.976 -6.976
23 2HD LYS 4 1HD LYS 4 4.629 -7.562 -7.562
24 1HE LYS 4 2HE LYS 4 5.614 -9.861 -9.861
25 2HE LYS 4 1HE LYS 4 7.142 -9.245 -9.245
26 1HZ LYS 4 3HZ LYS 4 6.311 -7.619 -7.619
27 2HZ LYS 4 2HZ LYS 4 6.225 -9.240 -9.240
28 3HZ LYS 4 1HZ LYS 4 7.679 -8.615 -8.615
29 H ASP 5 H ASP 5 4.195 -9.427 -9.427
30 HA ASP 5 HA ASP 5 3.040 -11.519 -11.519
31 1HB ASP 5 2HB ASP 5 1.852 -10.750 -10.750
32 2HB ASP 5 1HB ASP 5 0.581 -10.226 -10.226
33 H MET 6 H MET 6 3.196 -8.953 -8.953
34 HA MET 6 HA MET 6 1.019 -9.420 -9.420
35 1HB MET 6 2HB MET 6 2.110 -6.749 -6.749
36 2HB MET 6 1HB MET 6 0.965 -6.927 -6.927
37 1HG MET 6 2HG MET 6 -0.723 -6.983 -6.983
38 2HG MET 6 1HG MET 6 -0.056 -8.373 -8.373
39 1HE MET 6 1HE MET 6 -1.337 -4.980 -4.980
40 2HE MET 6 3HE MET 6 -0.293 -4.140 -4.140
41 3HE MET 6 2HE MET 6 0.280 -4.430 -4.430
42 H THR 7 H THR 7 1.729 -7.779 -7.779
43 HA THR 7 HA THR 7 4.435 -8.704 -8.704
44 HB THR 7 HB THR 7 3.463 -8.606 -8.606
45 HG1 THR 7 HG1 THR 7 0.933 -8.037 -8.037
46 1HG2 THR 7 3HG2 THR 7 2.778 -10.681 -10.681
47 2HG2 THR 7 2HG2 THR 7 1.339 -9.814 -9.814
48 3HG2 THR 7 1HG2 THR 7 1.582 -10.211 -10.211
49 H ASP 8 H ASP 8 4.083 -6.724 -6.724
50 HA ASP 8 HA ASP 8 4.786 -4.237 -4.237
51 1HB ASP 8 2HB ASP 8 5.699 -5.256 -5.256
52 2HB ASP 8 1HB ASP 8 6.076 -3.647 -3.647
53 H LYS 9 H LYS 9 3.616 -5.315 -5.315
54 HA LYS 9 HA LYS 9 2.273 -3.080 -3.080
55 1HB LYS 9 2HB LYS 9 2.624 -5.582 -5.582
56 2HB LYS 9 1HB LYS 9 1.004 -5.771 -5.771
57 1HG LYS 9 2HG LYS 9 1.502 -3.379 -3.379
58 2HG LYS 9 1HG LYS 9 1.633 -4.936 -4.936
59 1HD LYS 9 2HD LYS 9 -0.599 -4.051 -4.051
60 2HD LYS 9 1HD LYS 9 -0.685 -5.492 -5.492
61 1HE LYS 9 2HE LYS 9 -1.065 -4.215 -4.215
62 2HE LYS 9 1HE LYS 9 -0.680 -2.696 -2.696
63 1HZ LYS 9 2HZ LYS 9 -2.714 -3.962 -3.962
64 2HZ LYS 9 1HZ LYS 9 -3.124 -4.027 -4.027
65 3HZ LYS 9 3HZ LYS 9 -2.801 -2.529 -2.529
66 H GLU 10 H GLU 10 0.886 -5.651 -5.651
67 HA GLU 10 HA GLU 10 -1.642 -4.373 -4.373
68 1HB GLU 10 2HB GLU 10 -0.178 -6.464 -6.464
69 2HB GLU 10 1HB GLU 10 -1.874 -6.083 -6.083
70 1HG GLU 10 2HG GLU 10 -0.551 -7.200 -7.200
71 2HG GLU 10 1HG GLU 10 -1.608 -8.079 -8.079
72 H CYS 11 H CYS 11 1.118 -4.708 -4.708
73 HA CYS 11 HA CYS 11 0.420 -3.270 -3.270
74 1HB CYS 11 2HB CYS 11 2.595 -4.332 -4.332
75 2HB CYS 11 1HB CYS 11 3.063 -3.010 -3.010
76 H LEU 12 H LEU 12 1.757 -1.827 -1.827
77 HA LEU 12 HA LEU 12 1.649 0.903 0.903
78 1HB LEU 12 2HB LEU 12 1.345 -0.479 -0.479
79 2HB LEU 12 1HB LEU 12 1.540 1.242 1.242
80 HG LEU 12 HG LEU 12 3.552 -0.905 -0.905
81 1HD1 LEU 12 1HD1 LEU 12 3.563 1.005 1.005
82 2HD1 LEU 12 3HD1 LEU 12 3.704 2.106 2.106
83 3HD1 LEU 12 2HD1 LEU 12 5.028 1.007 1.007
84 1HD2 LEU 12 1HD2 LEU 12 3.792 1.161 1.161
85 2HD2 LEU 12 3HD2 LEU 12 3.568 -0.562 -0.562
86 3HD2 LEU 12 2HD2 LEU 12 5.036 0.031 0.031
87 H TYR 13 H TYR 13 -0.744 -1.126 -1.126
88 HA TYR 13 HA TYR 13 -2.726 0.819 0.819
89 1HB TYR 13 2HB TYR 13 -2.554 -1.737 -1.737
90 2HB TYR 13 1HB TYR 13 -3.441 -2.017 -2.017
91 HD1 TYR 13 HD1 TYR 13 -3.532 -0.194 -0.194
92 HD2 TYR 13 HD2 TYR 13 -5.820 -1.554 -1.554
93 HE1 TYR 13 HE1 TYR 13 -5.592 0.435 0.435
94 HE2 TYR 13 HE2 TYR 13 -7.882 -0.921 -0.921
95 HH TYR 13 HH TYR 13 -8.485 0.811 0.811
96 H PHE 14 H PHE 14 -1.548 -0.029 -0.029
97 HA PHE 14 HA PHE 14 -4.049 0.683 0.683
98 1HB PHE 14 2HB PHE 14 -1.675 -0.722 -0.722
99 2HB PHE 14 1HB PHE 14 -3.334 -0.682 -0.682
100 HD1 PHE 14 HD2 PHE 14 -4.729 -1.379 -1.379
101 HD2 PHE 14 HD1 PHE 14 -1.323 -3.032 -3.032
102 HE1 PHE 14 HE2 PHE 14 -5.098 -3.506 -3.506
103 HE2 PHE 14 HE1 PHE 14 -1.701 -5.166 -5.166
104 HZ PHE 14 HZ PHE 14 -3.580 -5.397 -5.397
105 H CYS 15 H CYS 15 -0.540 1.001 1.001
106 HA CYS 15 HA CYS 15 -0.682 3.354 3.354
107 1HB CYS 15 2HB CYS 15 0.850 1.413 1.413
108 2HB CYS 15 1HB CYS 15 1.720 1.907 1.907
109 H HIS 16 H HIS 16 0.434 2.521 2.521
110 HA HIS 16 HA HIS 16 1.136 5.377 5.377
111 1HB HIS 16 2HB HIS 16 1.837 2.827 2.827
112 2HB HIS 16 1HB HIS 16 2.154 4.424 4.424
113 HD1 HIS 16 HD1 HIS 16 4.670 3.498 3.498
114 HD2 HIS 16 HD2 HIS 16 2.884 4.408 4.408
115 HE1 HIS 16 HE1 HIS 16 6.483 3.717 3.717
116 H GLN 17 H GLN 17 -1.567 4.655 4.655
117 HA GLN 17 HA GLN 17 -2.644 4.864 4.864
118 1HB GLN 17 2HB GLN 17 -4.780 4.100 4.100
119 2HB GLN 17 1HB GLN 17 -3.520 2.887 2.887
120 1HG GLN 17 2HG GLN 17 -3.120 3.420 3.420
121 2HG GLN 17 1HG GLN 17 -4.077 4.887 4.887
122 1HE2 GLN 17 2HE2 GLN 17 -6.877 2.101 2.101
123 2HE2 GLN 17 1HE2 GLN 17 -5.940 2.702 2.702
124 H ASP 18 H ASP 18 -1.481 6.973 6.973
125 HA ASP 18 HA ASP 18 -3.623 8.791 8.791
126 1HB ASP 18 2HB ASP 18 -1.466 10.182 10.182
127 2HB ASP 18 1HB ASP 18 -1.850 8.785 8.785
128 H VAL 19 H VAL 19 -4.311 8.622 8.622
129 HA VAL 19 HA VAL 19 -2.845 10.384 10.384
130 HB VAL 19 HB VAL 19 -4.330 9.378 9.378
131 1HG1 VAL 19 1HG1 VAL 19 -2.207 8.245 8.245
132 2HG1 VAL 19 3HG1 VAL 19 -2.977 7.294 7.294
133 3HG1 VAL 19 2HG1 VAL 19 -3.436 7.061 7.061
134 1HG2 VAL 19 1HG2 VAL 19 -5.535 7.747 7.747
135 2HG2 VAL 19 3HG2 VAL 19 -6.362 8.965 8.965
136 3HG2 VAL 19 2HG2 VAL 19 -5.831 7.475 7.475
137 H ILE 20 H ILE 20 -3.622 12.306 12.306
138 HA ILE 20 HA ILE 20 -6.383 13.105 13.105
139 HB ILE 20 HB ILE 20 -4.658 13.951 13.951
140 1HG1 ILE 20 2HG1 ILE 20 -5.677 16.288 16.288
141 2HG1 ILE 20 1HG1 ILE 20 -6.706 15.354 15.354
142 1HG2 ILE 20 2HG2 ILE 20 -2.743 13.931 13.931
143 2HG2 ILE 20 1HG2 ILE 20 -3.398 15.281 15.281
144 3HG2 ILE 20 3HG2 ILE 20 -2.883 15.504 15.504
145 1HD1 ILE 20 1HD1 ILE 20 -5.239 15.926 15.926
146 2HD1 ILE 20 3HD1 ILE 20 -4.202 16.872 16.872
147 3HD1 ILE 20 2HD1 ILE 20 -5.856 17.378 17.378
148 H TRP 21 H TRP 21 -6.127 12.112 12.112
149 HA TRP 21 HA TRP 21 -5.636 14.144 14.144
150 1HB TRP 21 2HB TRP 21 -5.868 12.195 12.195
151 2HB TRP 21 1HB TRP 21 -4.641 11.958 11.958
152 HD1 TRP 21 HD1 TRP 21 -5.248 9.428 9.428
153 HE1 TRP 21 HE1 TRP 21 -6.645 7.675 7.675
154 HE3 TRP 21 HE3 TRP 21 -7.984 12.164 12.164
155 HZ2 TRP 21 HZ2 TRP 21 -8.626 7.294 7.294
156 HZ3 TRP 21 HZ3 TRP 21 -9.596 11.044 11.044
157 HH2 TRP 21 HH2 TRP 21 -9.938 8.610 8.610
Start of MODEL 2
1 1H CYS 1 3H CYS 1 6.068 0.898 0.898
2 2H CYS 1 2H CYS 1 5.318 2.220 2.220
3 3H CYS 1 1H CYS 1 6.104 2.431 2.431
4 HA CYS 1 HA CYS 1 4.240 2.016 2.016
5 1HB CYS 1 2HB CYS 1 3.067 1.247 1.247
6 2HB CYS 1 1HB CYS 1 2.159 1.676 1.676
7 H SER 2 H SER 2 5.412 0.210 0.210
8 HA SER 2 HA SER 2 5.979 -2.130 -2.130
9 1HB SER 2 2HB SER 2 4.143 -2.989 -2.989
10 2HB SER 2 1HB SER 2 4.589 -1.319 -1.319
11 HG SER 2 HG SER 2 2.660 -0.768 -0.768
12 H CYS 3 H CYS 3 6.152 -2.948 -2.948
13 HA CYS 3 HA CYS 3 3.780 -4.294 -4.294
14 1HB CYS 3 2HB CYS 3 6.593 -4.059 -4.059
15 2HB CYS 3 1HB CYS 3 5.257 -4.711 -4.711
16 H LYS 4 H LYS 4 3.966 -5.561 -5.561
17 HA LYS 4 HA LYS 4 5.848 -7.871 -7.871
18 1HB LYS 4 2HB LYS 4 4.273 -6.694 -6.694
19 2HB LYS 4 1HB LYS 4 4.840 -8.348 -8.348
20 1HG LYS 4 2HG LYS 4 6.456 -6.903 -6.903
21 2HG LYS 4 1HG LYS 4 7.170 -7.590 -7.590
22 1HD LYS 4 2HD LYS 4 6.780 -5.467 -5.467
23 2HD LYS 4 1HD LYS 4 6.018 -4.772 -4.772
24 1HE LYS 4 2HE LYS 4 8.886 -5.809 -5.809
25 2HE LYS 4 1HE LYS 4 8.427 -4.116 -4.116
26 1HZ LYS 4 3HZ LYS 4 7.215 -5.216 -5.216
27 2HZ LYS 4 2HZ LYS 4 8.850 -5.671 -5.671
28 3HZ LYS 4 1HZ LYS 4 8.424 -4.029 -4.029
29 H ASP 5 H ASP 5 5.124 -9.823 -9.823
30 HA ASP 5 HA ASP 5 3.776 -11.544 -11.544
31 1HB ASP 5 2HB ASP 5 3.041 -11.040 -11.040
32 2HB ASP 5 1HB ASP 5 1.574 -10.494 -10.494
33 H MET 6 H MET 6 3.740 -9.039 -9.039
34 HA MET 6 HA MET 6 1.185 -9.248 -9.248
35 1HB MET 6 2HB MET 6 2.627 -6.666 -6.666
36 2HB MET 6 1HB MET 6 1.256 -6.760 -6.760
37 1HG MET 6 2HG MET 6 -0.204 -6.894 -6.894
38 2HG MET 6 1HG MET 6 0.708 -8.065 -8.065
39 1HE MET 6 3HE MET 6 0.777 -4.291 -4.291
40 2HE MET 6 2HE MET 6 -0.687 -4.528 -4.528
41 3HE MET 6 1HE MET 6 0.644 -3.539 -3.539
42 H THR 7 H THR 7 1.512 -8.040 -8.040
43 HA THR 7 HA THR 7 4.233 -8.733 -8.733
44 HB THR 7 HB THR 7 3.104 -9.054 -9.054
45 HG1 THR 7 HG1 THR 7 1.319 -8.009 -8.009
46 1HG2 THR 7 2HG2 THR 7 1.390 -10.395 -10.395
47 2HG2 THR 7 1HG2 THR 7 1.529 -10.902 -10.902
48 3HG2 THR 7 3HG2 THR 7 2.903 -11.058 -11.058
49 H ASP 8 H ASP 8 4.890 -7.283 -7.283
50 HA ASP 8 HA ASP 8 5.082 -4.614 -4.614
51 1HB ASP 8 2HB ASP 8 5.084 -5.742 -5.742
52 2HB ASP 8 1HB ASP 8 5.716 -4.167 -4.167
53 H LYS 9 H LYS 9 3.062 -5.624 -5.624
54 HA LYS 9 HA LYS 9 1.616 -3.295 -3.295
55 1HB LYS 9 2HB LYS 9 1.553 -5.333 -5.333
56 2HB LYS 9 1HB LYS 9 0.514 -6.080 -6.080
57 1HG LYS 9 2HG LYS 9 -1.226 -4.394 -4.394
58 2HG LYS 9 1HG LYS 9 -0.165 -3.419 -3.419
59 1HD LYS 9 2HD LYS 9 -1.028 -6.231 -6.231
60 2HD LYS 9 1HD LYS 9 -1.898 -4.794 -4.794
61 1HE LYS 9 2HE LYS 9 1.037 -5.395 -5.395
62 2HE LYS 9 1HE LYS 9 -0.310 -5.525 -5.525
63 1HZ LYS 9 1HZ LYS 9 -0.389 -2.980 -2.980
64 2HZ LYS 9 3HZ LYS 9 1.203 -3.273 -3.273
65 3HZ LYS 9 2HZ LYS 9 -0.082 -3.409 -3.409
66 H GLU 10 H GLU 10 0.546 -5.981 -5.981
67 HA GLU 10 HA GLU 10 -1.824 -4.869 -4.869
68 1HB GLU 10 2HB GLU 10 0.258 -6.547 -6.547
69 2HB GLU 10 1HB GLU 10 -1.318 -6.195 -6.195
70 1HG GLU 10 2HG GLU 10 -2.456 -7.347 -7.347
71 2HG GLU 10 1HG GLU 10 -0.987 -7.532 -7.532
72 H CYS 11 H CYS 11 1.319 -4.653 -4.653
73 HA CYS 11 HA CYS 11 0.658 -2.868 -2.868
74 1HB CYS 11 2HB CYS 11 2.891 -4.070 -4.070
75 2HB CYS 11 1HB CYS 11 3.297 -2.681 -2.681
76 H LEU 12 H LEU 12 1.839 -2.021 -2.021
77 HA LEU 12 HA LEU 12 1.894 0.756 0.756
78 1HB LEU 12 2HB LEU 12 0.948 -0.904 -0.904
79 2HB LEU 12 1HB LEU 12 1.378 0.773 0.773
80 HG LEU 12 HG LEU 12 3.105 -1.616 -1.616
81 1HD1 LEU 12 2HD1 LEU 12 3.449 1.247 1.247
82 2HD1 LEU 12 1HD1 LEU 12 4.600 -0.022 -0.022
83 3HD1 LEU 12 3HD1 LEU 12 2.964 -0.060 -0.060
84 1HD2 LEU 12 1HD2 LEU 12 4.031 0.750 0.750
85 2HD2 LEU 12 3HD2 LEU 12 3.727 -0.867 -0.867
86 3HD2 LEU 12 2HD2 LEU 12 5.034 -0.595 -0.595
87 H TYR 13 H TYR 13 -0.830 -1.218 -1.218
88 HA TYR 13 HA TYR 13 -2.779 0.712 0.712
89 1HB TYR 13 2HB TYR 13 -2.977 -1.828 -1.828
90 2HB TYR 13 1HB TYR 13 -3.337 -1.957 -1.957
91 HD1 TYR 13 HD2 TYR 13 -4.413 0.084 0.084
92 HD2 TYR 13 HD1 TYR 13 -5.628 -1.913 -1.913
93 HE1 TYR 13 HE2 TYR 13 -6.742 0.652 0.652
94 HE2 TYR 13 HE1 TYR 13 -7.959 -1.343 -1.343
95 HH TYR 13 HH TYR 13 -9.377 -0.381 -0.381
96 H PHE 14 H PHE 14 -1.459 -0.161 -0.161
97 HA PHE 14 HA PHE 14 -3.598 1.247 1.247
98 1HB PHE 14 2HB PHE 14 -1.254 -0.123 -0.123
99 2HB PHE 14 1HB PHE 14 -2.888 0.068 0.068
100 HD1 PHE 14 HD1 PHE 14 -4.516 -1.091 -1.091
101 HD2 PHE 14 HD2 PHE 14 -0.834 -2.374 -2.374
102 HE1 PHE 14 HE1 PHE 14 -4.963 -3.395 -3.395
103 HE2 PHE 14 HE2 PHE 14 -1.288 -4.671 -4.671
104 HZ PHE 14 HZ PHE 14 -3.342 -5.178 -5.178
105 H CYS 15 H CYS 15 -0.157 1.206 1.206
106 HA CYS 15 HA CYS 15 0.376 3.651 3.651
107 1HB CYS 15 2HB CYS 15 1.824 1.603 1.603
108 2HB CYS 15 1HB CYS 15 2.225 2.052 2.052
109 H HIS 16 H HIS 16 1.327 2.711 2.711
110 HA HIS 16 HA HIS 16 1.848 5.238 5.238
111 1HB HIS 16 2HB HIS 16 0.878 2.703 2.703
112 2HB HIS 16 1HB HIS 16 0.815 4.165 4.165
113 HD1 HIS 16 HD1 HIS 16 2.719 3.731 3.731
114 HD2 HIS 16 HD2 HIS 16 3.859 3.326 3.326
115 HE1 HIS 16 HE1 HIS 16 5.194 3.494 3.494
116 H GLN 17 H GLN 17 -1.165 3.571 3.571
117 HA GLN 17 HA GLN 17 -3.397 4.242 4.242
118 1HB GLN 17 2HB GLN 17 -2.442 6.123 6.123
119 2HB GLN 17 1HB GLN 17 -2.367 7.098 7.098
120 1HG GLN 17 2HG GLN 17 -4.785 6.823 6.823
121 2HG GLN 17 1HG GLN 17 -4.875 5.793 5.793
122 1HE2 GLN 17 2HE2 GLN 17 -5.164 9.736 9.736
123 2HE2 GLN 17 1HE2 GLN 17 -5.347 8.966 8.966
124 H ASP 18 H ASP 18 -2.899 3.295 3.295
125 HA ASP 18 HA ASP 18 -3.219 5.161 5.161
126 1HB ASP 18 2HB ASP 18 -1.761 2.648 2.648
127 2HB ASP 18 1HB ASP 18 -2.670 2.605 2.605
128 H VAL 19 H VAL 19 -5.367 5.376 5.376
129 HA VAL 19 HA VAL 19 -7.273 3.206 3.206
130 HB VAL 19 HB VAL 19 -8.893 4.554 4.554
131 1HG1 VAL 19 3HG1 VAL 19 -6.298 3.927 3.927
132 2HG1 VAL 19 2HG1 VAL 19 -7.874 4.125 4.125
133 3HG1 VAL 19 1HG1 VAL 19 -7.586 2.777 2.777
134 1HG2 VAL 19 2HG2 VAL 19 -7.884 6.799 6.799
135 2HG2 VAL 19 1HG2 VAL 19 -8.070 6.454 6.454
136 3HG2 VAL 19 3HG2 VAL 19 -6.491 6.330 6.330
137 H ILE 20 H ILE 20 -9.319 4.120 4.120
138 HA ILE 20 HA ILE 20 -8.675 6.362 6.362
139 HB ILE 20 HB ILE 20 -8.488 4.192 4.192
140 1HG1 ILE 20 2HG1 ILE 20 -11.032 5.626 5.626
141 2HG1 ILE 20 1HG1 ILE 20 -9.419 6.234 6.234
142 1HG2 ILE 20 1HG2 ILE 20 -10.024 2.850 2.850
143 2HG2 ILE 20 3HG2 ILE 20 -11.412 3.681 3.681
144 3HG2 ILE 20 2HG2 ILE 20 -10.419 2.663 2.663
145 1HD1 ILE 20 3HD1 ILE 20 -8.869 4.148 4.148
146 2HD1 ILE 20 2HD1 ILE 20 -10.505 3.561 3.561
147 3HD1 ILE 20 1HD1 ILE 20 -10.232 4.993 4.993
148 H TRP 21 H TRP 21 -9.911 8.000 8.000
149 HA TRP 21 HA TRP 21 -12.812 7.642 7.642
150 1HB TRP 21 2HB TRP 21 -10.892 9.708 9.708
151 2HB TRP 21 1HB TRP 21 -12.619 9.634 9.634
152 HD1 TRP 21 HD1 TRP 21 -9.533 8.694 8.694
153 HE1 TRP 21 HE1 TRP 21 -9.958 6.769 6.769
154 HE3 TRP 21 HE3 TRP 21 -14.044 7.112 7.112
155 HZ2 TRP 21 HZ2 TRP 21 -11.895 4.742 4.742
156 HZ3 TRP 21 HZ3 TRP 21 -15.165 5.186 5.186
157 HH2 TRP 21 HH2 TRP 21 -14.097 3.994 3.994
Start of MODEL 3
1 1H CYS 1 2H CYS 1 6.355 2.864 2.864
2 2H CYS 1 1H CYS 1 5.408 3.915 3.915
3 3H CYS 1 3H CYS 1 4.988 3.608 3.608
4 HA CYS 1 HA CYS 1 3.693 1.971 1.971
5 1HB CYS 1 2HB CYS 1 4.909 2.272 2.272
6 2HB CYS 1 1HB CYS 1 3.475 1.355 1.355
7 H SER 2 H SER 2 3.602 -0.220 -0.220
8 HA SER 2 HA SER 2 6.167 -1.705 -1.705
9 1HB SER 2 2HB SER 2 5.662 -1.650 -1.650
10 2HB SER 2 1HB SER 2 4.025 -2.236 -2.236
11 HG SER 2 HG SER 2 4.804 -4.159 -4.159
12 H CYS 3 H CYS 3 5.847 -3.899 -3.899
13 HA CYS 3 HA CYS 3 3.236 -4.392 -4.392
14 1HB CYS 3 2HB CYS 3 5.975 -5.049 -5.049
15 2HB CYS 3 1HB CYS 3 4.486 -5.401 -5.401
16 H LYS 4 H LYS 4 4.470 -5.282 -5.282
17 HA LYS 4 HA LYS 4 5.445 -7.671 -7.671
18 1HB LYS 4 2HB LYS 4 3.988 -6.145 -6.145
19 2HB LYS 4 1HB LYS 4 2.631 -7.124 -7.124
20 1HG LYS 4 2HG LYS 4 3.295 -8.260 -8.260
21 2HG LYS 4 1HG LYS 4 4.113 -9.180 -9.180
22 1HD LYS 4 2HD LYS 4 5.726 -8.811 -8.811
23 2HD LYS 4 1HD LYS 4 6.205 -7.781 -7.781
24 1HE LYS 4 2HE LYS 4 5.063 -5.835 -5.835
25 2HE LYS 4 1HE LYS 4 4.611 -6.897 -6.897
26 1HZ LYS 4 3HZ LYS 4 7.368 -7.129 -7.129
27 2HZ LYS 4 2HZ LYS 4 6.965 -5.485 -5.485
28 3HZ LYS 4 1HZ LYS 4 6.572 -6.549 -6.549
29 H ASP 5 H ASP 5 5.315 -9.704 -9.704
30 HA ASP 5 HA ASP 5 4.722 -11.441 -11.441
31 1HB ASP 5 2HB ASP 5 2.732 -12.659 -12.659
32 2HB ASP 5 1HB ASP 5 3.921 -12.153 -12.153
33 H MET 6 H MET 6 3.899 -9.001 -9.001
34 HA MET 6 HA MET 6 1.561 -9.960 -9.960
35 1HB MET 6 2HB MET 6 2.355 -7.044 -7.044
36 2HB MET 6 1HB MET 6 1.095 -7.528 -7.528
37 1HG MET 6 2HG MET 6 0.260 -8.774 -8.774
38 2HG MET 6 1HG MET 6 1.137 -7.428 -7.428
39 1HE MET 6 3HE MET 6 0.318 -5.231 -5.231
40 2HE MET 6 2HE MET 6 0.588 -4.731 -4.731
41 3HE MET 6 1HE MET 6 -0.933 -4.395 -4.395
42 H THR 7 H THR 7 1.762 -8.319 -8.319
43 HA THR 7 HA THR 7 4.407 -8.951 -8.951
44 HB THR 7 HB THR 7 2.381 -10.167 -10.167
45 HG1 THR 7 HG1 THR 7 3.377 -9.934 -9.934
46 1HG2 THR 7 1HG2 THR 7 0.710 -8.327 -8.327
47 2HG2 THR 7 3HG2 THR 7 1.473 -7.351 -7.351
48 3HG2 THR 7 2HG2 THR 7 0.696 -8.867 -8.867
49 H ASP 8 H ASP 8 3.943 -7.202 -7.202
50 HA ASP 8 HA ASP 8 4.326 -4.553 -4.553
51 1HB ASP 8 2HB ASP 8 5.415 -5.892 -5.892
52 2HB ASP 8 1HB ASP 8 5.192 -4.162 -4.162
53 H LYS 9 H LYS 9 3.077 -5.784 -5.784
54 HA LYS 9 HA LYS 9 1.604 -3.754 -3.754
55 1HB LYS 9 2HB LYS 9 1.878 -6.077 -6.077
56 2HB LYS 9 1HB LYS 9 0.574 -6.564 -6.564
57 1HG LYS 9 2HG LYS 9 -1.041 -5.186 -5.186
58 2HG LYS 9 1HG LYS 9 0.189 -4.282 -4.282
59 1HD LYS 9 2HD LYS 9 -0.350 -7.249 -7.249
60 2HD LYS 9 1HD LYS 9 -1.006 -5.971 -5.971
61 1HE LYS 9 2HE LYS 9 1.385 -5.227 -5.227
62 2HE LYS 9 1HE LYS 9 1.945 -6.651 -6.651
63 1HZ LYS 9 2HZ LYS 9 0.018 -7.470 -7.470
64 2HZ LYS 9 1HZ LYS 9 1.121 -6.466 -6.466
65 3HZ LYS 9 3HZ LYS 9 1.679 -7.827 -7.827
66 H GLU 10 H GLU 10 0.629 -5.682 -5.682
67 HA GLU 10 HA GLU 10 -1.983 -4.341 -4.341
68 1HB GLU 10 2HB GLU 10 -0.570 -6.434 -6.434
69 2HB GLU 10 1HB GLU 10 -2.215 -5.884 -5.884
70 1HG GLU 10 2HG GLU 10 -2.779 -6.683 -6.683
71 2HG GLU 10 1HG GLU 10 -1.142 -7.295 -7.295
72 H CYS 11 H CYS 11 0.964 -4.753 -4.753
73 HA CYS 11 HA CYS 11 0.450 -3.097 -3.097
74 1HB CYS 11 2HB CYS 11 2.592 -4.330 -4.330
75 2HB CYS 11 1HB CYS 11 3.091 -3.025 -3.025
76 H LEU 12 H LEU 12 1.493 -2.078 -2.078
77 HA LEU 12 HA LEU 12 1.829 0.671 0.671
78 1HB LEU 12 2HB LEU 12 0.693 -0.884 -0.884
79 2HB LEU 12 1HB LEU 12 1.143 0.787 0.787
80 HG LEU 12 HG LEU 12 2.791 -1.637 -1.637
81 1HD1 LEU 12 3HD1 LEU 12 3.225 1.269 1.269
82 2HD1 LEU 12 2HD1 LEU 12 4.305 -0.021 -0.021
83 3HD1 LEU 12 1HD1 LEU 12 2.642 0.038 0.038
84 1HD2 LEU 12 1HD2 LEU 12 3.909 0.570 0.570
85 2HD2 LEU 12 3HD2 LEU 12 3.546 -1.062 -1.062
86 3HD2 LEU 12 2HD2 LEU 12 4.817 -0.785 -0.785
87 H TYR 13 H TYR 13 -1.075 -0.989 -0.989
88 HA TYR 13 HA TYR 13 -2.865 1.105 1.105
89 1HB TYR 13 2HB TYR 13 -3.304 -1.359 -1.359
90 2HB TYR 13 1HB TYR 13 -3.579 -1.622 -1.622
91 HD1 TYR 13 HD1 TYR 13 -4.710 0.634 0.634
92 HD2 TYR 13 HD2 TYR 13 -5.812 -1.399 -1.399
93 HE1 TYR 13 HE1 TYR 13 -7.030 1.362 1.362
94 HE2 TYR 13 HE2 TYR 13 -8.124 -0.667 -0.667
95 HH TYR 13 HH TYR 13 -9.121 1.247 1.247
96 H PHE 14 H PHE 14 -1.654 -0.258 -0.258
97 HA PHE 14 HA PHE 14 -3.580 1.055 1.055
98 1HB PHE 14 2HB PHE 14 -1.078 -0.473 -0.473
99 2HB PHE 14 1HB PHE 14 -2.576 -0.291 -0.291
100 HD1 PHE 14 HD2 PHE 14 -4.427 -0.972 -0.972
101 HD2 PHE 14 HD1 PHE 14 -1.026 -2.828 -2.828
102 HE1 PHE 14 HE2 PHE 14 -5.124 -3.148 -3.148
103 HE2 PHE 14 HE1 PHE 14 -1.735 -4.995 -4.995
104 HZ PHE 14 HZ PHE 14 -3.777 -5.149 -5.149
105 H CYS 15 H CYS 15 -0.127 1.248 1.248
106 HA CYS 15 HA CYS 15 0.149 3.717 3.717
107 1HB CYS 15 2HB CYS 15 1.756 1.863 1.863
108 2HB CYS 15 1HB CYS 15 2.235 2.084 2.084
109 H HIS 16 H HIS 16 1.380 2.703 2.703
110 HA HIS 16 HA HIS 16 2.014 5.224 5.224
111 1HB HIS 16 2HB HIS 16 1.108 2.716 2.716
112 2HB HIS 16 1HB HIS 16 1.511 4.166 4.166
113 HD1 HIS 16 HD1 HIS 16 3.726 3.313 3.313
114 HD2 HIS 16 HD2 HIS 16 3.613 3.100 3.100
115 HE1 HIS 16 HE1 HIS 16 6.019 2.789 2.789
116 H GLN 17 H GLN 17 -1.035 3.575 3.575
117 HA GLN 17 HA GLN 17 -2.485 6.027 6.027
118 1HB GLN 17 2HB GLN 17 -2.680 3.199 3.199
119 2HB GLN 17 1HB GLN 17 -4.245 3.926 3.926
120 1HG GLN 17 2HG GLN 17 -3.532 5.832 5.832
121 2HG GLN 17 1HG GLN 17 -2.074 4.927 4.927
122 1HE2 GLN 17 2HE2 GLN 17 -3.943 2.349 2.349
123 2HE2 GLN 17 1HE2 GLN 17 -2.620 2.521 2.521
124 H ASP 18 H ASP 18 -1.834 5.904 5.904
125 HA ASP 18 HA ASP 18 -3.708 4.582 4.582
126 1HB ASP 18 2HB ASP 18 -1.449 5.438 5.438
127 2HB ASP 18 1HB ASP 18 -2.050 7.063 7.063
128 H VAL 19 H VAL 19 -3.384 7.865 7.865
129 HA VAL 19 HA VAL 19 -6.304 8.348 8.348
130 HB VAL 19 HB VAL 19 -4.855 9.711 9.711
131 1HG1 VAL 19 3HG1 VAL 19 -3.629 10.813 10.813
132 2HG1 VAL 19 2HG1 VAL 19 -3.320 11.426 11.426
133 3HG1 VAL 19 1HG1 VAL 19 -2.806 9.807 9.807
134 1HG2 VAL 19 1HG2 VAL 19 -6.954 10.738 10.738
135 2HG2 VAL 19 3HG2 VAL 19 -5.699 11.948 11.948
136 3HG2 VAL 19 2HG2 VAL 19 -6.159 11.437 11.437
137 H ILE 20 H ILE 20 -7.129 9.996 9.996
138 HA ILE 20 HA ILE 20 -5.993 9.685 9.685
139 HB ILE 20 HB ILE 20 -8.852 9.657 9.657
140 1HG1 ILE 20 2HG1 ILE 20 -7.710 7.506 7.506
141 2HG1 ILE 20 1HG1 ILE 20 -8.875 7.391 7.391
142 1HG2 ILE 20 3HG2 ILE 20 -7.702 9.671 9.671
143 2HG2 ILE 20 2HG2 ILE 20 -9.393 9.368 9.368
144 3HG2 ILE 20 1HG2 ILE 20 -8.684 10.931 10.931
145 1HD1 ILE 20 2HD1 ILE 20 -7.056 7.573 7.573
146 2HD1 ILE 20 1HD1 ILE 20 -5.867 7.657 7.657
147 3HD1 ILE 20 3HD1 ILE 20 -6.828 6.211 6.211
148 H TRP 21 H TRP 21 -5.907 11.394 11.394
149 HA TRP 21 HA TRP 21 -7.150 13.958 13.958
150 1HB TRP 21 2HB TRP 21 -4.201 13.578 13.578
151 2HB TRP 21 1HB TRP 21 -4.972 15.138 15.138
152 HD1 TRP 21 HD1 TRP 21 -2.815 12.863 12.863
153 HE1 TRP 21 HE1 TRP 21 -3.206 13.156 13.156
154 HE3 TRP 21 HE3 TRP 21 -7.184 15.404 15.404
155 HZ2 TRP 21 HZ2 TRP 21 -5.085 14.299 14.299
156 HZ3 TRP 21 HZ3 TRP 21 -8.265 16.089 16.089
157 HH2 TRP 21 HH2 TRP 21 -7.221 15.539 15.539
Start of MODEL 4
1 1H CYS 1 1H CYS 1 6.617 2.814 2.814
2 2H CYS 1 3H CYS 1 5.276 3.655 3.655
3 3H CYS 1 2H CYS 1 5.805 3.928 3.928
4 HA CYS 1 HA CYS 1 4.455 2.356 2.356
5 1HB CYS 1 2HB CYS 1 3.930 1.625 1.625
6 2HB CYS 1 1HB CYS 1 2.890 1.270 1.270
7 H SER 2 H SER 2 3.890 -0.109 -0.109
8 HA SER 2 HA SER 2 6.442 -1.596 -1.596
9 1HB SER 2 2HB SER 2 4.343 -2.172 -2.172
10 2HB SER 2 1HB SER 2 5.828 -3.093 -3.093
11 HG SER 2 HG SER 2 6.830 -1.609 -1.609
12 H CYS 3 H CYS 3 6.258 -3.636 -3.636
13 HA CYS 3 HA CYS 3 3.639 -4.459 -4.459
14 1HB CYS 3 2HB CYS 3 6.381 -4.715 -4.715
15 2HB CYS 3 1HB CYS 3 4.904 -5.253 -5.253
16 H LYS 4 H LYS 4 3.625 -5.553 -5.553
17 HA LYS 4 HA LYS 4 5.309 -8.014 -8.014
18 1HB LYS 4 2HB LYS 4 3.692 -6.650 -6.650
19 2HB LYS 4 1HB LYS 4 4.644 -8.101 -8.101
20 1HG LYS 4 2HG LYS 4 5.838 -5.454 -5.454
21 2HG LYS 4 1HG LYS 4 5.777 -5.971 -5.971
22 1HD LYS 4 2HD LYS 4 7.059 -8.085 -8.085
23 2HD LYS 4 1HD LYS 4 7.218 -7.394 -7.394
24 1HE LYS 4 2HE LYS 4 9.236 -6.930 -6.930
25 2HE LYS 4 1HE LYS 4 8.407 -5.410 -5.410
26 1HZ LYS 4 2HZ LYS 4 7.462 -6.542 -6.542
27 2HZ LYS 4 1HZ LYS 4 9.157 -6.505 -6.505
28 3HZ LYS 4 3HZ LYS 4 8.282 -5.075 -5.075
29 H ASP 5 H ASP 5 4.359 -9.445 -9.445
30 HA ASP 5 HA ASP 5 3.040 -11.370 -11.370
31 1HB ASP 5 2HB ASP 5 1.963 -10.598 -10.598
32 2HB ASP 5 1HB ASP 5 0.663 -10.095 -10.095
33 H MET 6 H MET 6 3.458 -9.192 -9.192
34 HA MET 6 HA MET 6 1.091 -9.215 -9.215
35 1HB MET 6 2HB MET 6 2.719 -6.803 -6.803
36 2HB MET 6 1HB MET 6 1.658 -6.752 -6.752
37 1HG MET 6 2HG MET 6 0.026 -6.172 -6.172
38 2HG MET 6 1HG MET 6 0.055 -7.800 -7.800
39 1HE MET 6 3HE MET 6 1.339 -4.150 -4.150
40 2HE MET 6 2HE MET 6 -0.352 -4.388 -4.388
41 3HE MET 6 1HE MET 6 0.891 -3.995 -3.995
42 H THR 7 H THR 7 1.901 -8.006 -8.006
43 HA THR 7 HA THR 7 4.390 -9.416 -9.416
44 HB THR 7 HB THR 7 3.255 -9.192 -9.192
45 HG1 THR 7 HG1 THR 7 0.832 -8.617 -8.617
46 1HG2 THR 7 1HG2 THR 7 2.732 -11.241 -11.241
47 2HG2 THR 7 3HG2 THR 7 1.365 -10.361 -10.361
48 3HG2 THR 7 2HG2 THR 7 1.397 -10.775 -10.775
49 H ASP 8 H ASP 8 3.331 -7.095 -7.095
50 HA ASP 8 HA ASP 8 4.977 -4.896 -4.896
51 1HB ASP 8 2HB ASP 8 5.176 -6.272 -6.272
52 2HB ASP 8 1HB ASP 8 5.489 -4.545 -4.545
53 H LYS 9 H LYS 9 3.020 -5.637 -5.637
54 HA LYS 9 HA LYS 9 1.806 -3.170 -3.170
55 1HB LYS 9 2HB LYS 9 1.854 -5.259 -5.259
56 2HB LYS 9 1HB LYS 9 0.531 -5.840 -5.840
57 1HG LYS 9 2HG LYS 9 -1.000 -4.229 -4.229
58 2HG LYS 9 1HG LYS 9 0.245 -3.097 -3.097
59 1HD LYS 9 2HD LYS 9 -0.260 -5.758 -5.758
60 2HD LYS 9 1HD LYS 9 -0.932 -4.235 -4.235
61 1HE LYS 9 2HE LYS 9 1.402 -3.305 -3.305
62 2HE LYS 9 1HE LYS 9 2.072 -4.855 -4.855
63 1HZ LYS 9 3HZ LYS 9 0.246 -5.266 -5.266
64 2HZ LYS 9 2HZ LYS 9 1.314 -4.025 -4.025
65 3HZ LYS 9 1HZ LYS 9 1.919 -5.538 -5.538
66 H GLU 10 H GLU 10 0.455 -5.850 -5.850
67 HA GLU 10 HA GLU 10 -1.945 -4.494 -4.494
68 1HB GLU 10 2HB GLU 10 -0.330 -6.589 -6.589
69 2HB GLU 10 1HB GLU 10 -1.984 -6.161 -6.161
70 1HG GLU 10 2HG GLU 10 -1.089 -7.280 -7.280
71 2HG GLU 10 1HG GLU 10 -1.773 -8.246 -8.246
72 H CYS 11 H CYS 11 1.057 -4.811 -4.811
73 HA CYS 11 HA CYS 11 0.497 -3.207 -3.207
74 1HB CYS 11 2HB CYS 11 2.677 -4.399 -4.399
75 2HB CYS 11 1HB CYS 11 3.113 -3.061 -3.061
76 H LEU 12 H LEU 12 1.748 -2.037 -2.037
77 HA LEU 12 HA LEU 12 1.785 0.725 0.725
78 1HB LEU 12 2HB LEU 12 1.055 -0.748 -0.748
79 2HB LEU 12 1HB LEU 12 1.333 0.963 0.963
80 HG LEU 12 HG LEU 12 3.254 -1.257 -1.257
81 1HD1 LEU 12 1HD1 LEU 12 3.081 0.640 0.640
82 2HD1 LEU 12 3HD1 LEU 12 3.488 1.749 1.749
83 3HD1 LEU 12 2HD1 LEU 12 4.685 0.590 0.590
84 1HD2 LEU 12 1HD2 LEU 12 3.896 0.879 0.879
85 2HD2 LEU 12 3HD2 LEU 12 3.644 -0.814 -0.814
86 3HD2 LEU 12 2HD2 LEU 12 5.011 -0.330 -0.330
87 H TYR 13 H TYR 13 -0.835 -1.174 -1.174
88 HA TYR 13 HA TYR 13 -2.823 0.702 0.702
89 1HB TYR 13 2HB TYR 13 -3.005 -1.778 -1.778
90 2HB TYR 13 1HB TYR 13 -3.423 -2.045 -2.045
91 HD1 TYR 13 HD1 TYR 13 -4.359 0.160 0.160
92 HD2 TYR 13 HD2 TYR 13 -5.714 -1.832 -1.832
93 HE1 TYR 13 HE1 TYR 13 -6.643 0.892 0.892
94 HE2 TYR 13 HE2 TYR 13 -7.998 -1.101 -1.101
95 HH TYR 13 HH TYR 13 -9.315 0.168 0.168
96 H PHE 14 H PHE 14 -1.554 -0.296 -0.296
97 HA PHE 14 HA PHE 14 -3.792 0.817 0.817
98 1HB PHE 14 2HB PHE 14 -1.367 -0.584 -0.584
99 2HB PHE 14 1HB PHE 14 -2.975 -0.455 -0.455
100 HD1 PHE 14 HD2 PHE 14 -4.530 -1.278 -1.278
101 HD2 PHE 14 HD1 PHE 14 -1.150 -2.912 -2.912
102 HE1 PHE 14 HE2 PHE 14 -5.021 -3.487 -3.487
103 HE2 PHE 14 HE1 PHE 14 -1.654 -5.118 -5.118
104 HZ PHE 14 HZ PHE 14 -3.578 -5.395 -5.395
105 H CYS 15 H CYS 15 -0.299 1.123 1.123
106 HA CYS 15 HA CYS 15 -0.182 3.499 3.499
107 1HB CYS 15 2HB CYS 15 1.460 1.707 1.707
108 2HB CYS 15 1HB CYS 15 1.976 1.997 1.997
109 H HIS 16 H HIS 16 0.867 2.670 2.670
110 HA HIS 16 HA HIS 16 1.500 5.409 5.409
111 1HB HIS 16 2HB HIS 16 1.596 2.793 2.793
112 2HB HIS 16 1HB HIS 16 1.839 4.307 4.307
113 HD1 HIS 16 HD1 HIS 16 4.075 5.377 5.377
114 HD2 HIS 16 HD2 HIS 16 3.514 2.410 2.410
115 HE1 HIS 16 HE1 HIS 16 6.222 5.117 5.117
116 H GLN 17 H GLN 17 -1.319 3.446 3.446
117 HA GLN 17 HA GLN 17 -2.580 5.510 5.510
118 1HB GLN 17 2HB GLN 17 -2.525 2.595 2.595
119 2HB GLN 17 1HB GLN 17 -4.100 3.239 3.239
120 1HG GLN 17 2HG GLN 17 -2.987 4.578 4.578
121 2HG GLN 17 1HG GLN 17 -1.433 3.889 3.889
122 1HE2 GLN 17 2HE2 GLN 17 -3.881 1.799 1.799
123 2HE2 GLN 17 1HE2 GLN 17 -4.154 3.424 3.424
124 H ASP 18 H ASP 18 -2.633 5.824 5.824
125 HA ASP 18 HA ASP 18 -5.566 5.517 5.517
126 1HB ASP 18 2HB ASP 18 -3.206 4.906 4.906
127 2HB ASP 18 1HB ASP 18 -4.562 5.630 5.630
128 H VAL 19 H VAL 19 -2.968 7.225 7.225
129 HA VAL 19 HA VAL 19 -4.464 9.783 9.783
130 HB VAL 19 HB VAL 19 -3.431 10.342 10.342
131 1HG1 VAL 19 3HG1 VAL 19 -5.217 7.865 7.865
132 2HG1 VAL 19 2HG1 VAL 19 -5.018 8.931 8.931
133 3HG1 VAL 19 1HG1 VAL 19 -5.779 9.526 9.526
134 1HG2 VAL 19 2HG2 VAL 19 -1.576 8.683 8.683
135 2HG2 VAL 19 1HG2 VAL 19 -2.569 8.477 8.477
136 3HG2 VAL 19 3HG2 VAL 19 -2.732 7.368 7.368
137 H ILE 20 H ILE 20 -3.311 11.577 11.577
138 HA ILE 20 HA ILE 20 -0.388 11.340 11.340
139 HB ILE 20 HB ILE 20 -1.722 11.188 11.188
140 1HG1 ILE 20 2HG1 ILE 20 -0.357 13.922 13.922
141 2HG1 ILE 20 1HG1 ILE 20 0.518 12.410 12.410
142 1HG2 ILE 20 3HG2 ILE 20 -3.732 12.386 12.386
143 2HG2 ILE 20 2HG2 ILE 20 -2.862 13.902 13.902
144 3HG2 ILE 20 1HG2 ILE 20 -3.134 13.104 13.104
145 1HD1 ILE 20 3HD1 ILE 20 -1.493 13.317 13.317
146 2HD1 ILE 20 2HD1 ILE 20 0.248 13.420 13.420
147 3HD1 ILE 20 1HD1 ILE 20 -0.531 11.851 11.851
148 H TRP 21 H TRP 21 -1.139 12.013 12.013
149 HA TRP 21 HA TRP 21 -1.427 14.917 14.917
150 1HB TRP 21 2HB TRP 21 -1.783 14.233 14.233
151 2HB TRP 21 1HB TRP 21 -2.886 13.478 13.478
152 HD1 TRP 21 HD1 TRP 21 -3.021 12.006 12.006
153 HE1 TRP 21 HE1 TRP 21 -1.909 9.819 9.819
154 HE3 TRP 21 HE3 TRP 21 0.710 12.010 12.010
155 HZ2 TRP 21 HZ2 TRP 21 0.198 8.196 8.196
156 HZ3 TRP 21 HZ3 TRP 21 2.217 10.131 10.131
157 HH2 TRP 21 HH2 TRP 21 1.981 8.200 8.200
Start of MODEL 5
1 1H CYS 1 3H CYS 1 7.913 1.303 1.303
2 2H CYS 1 2H CYS 1 7.166 1.937 1.937
3 3H CYS 1 1H CYS 1 7.296 2.883 2.883
4 HA CYS 1 HA CYS 1 5.362 2.154 2.154
5 1HB CYS 1 2HB CYS 1 5.490 0.449 0.449
6 2HB CYS 1 1HB CYS 1 4.054 0.557 0.557
7 H SER 2 H SER 2 4.038 0.117 0.117
8 HA SER 2 HA SER 2 5.843 -1.954 -1.954
9 1HB SER 2 2HB SER 2 3.206 -0.813 -0.813
10 2HB SER 2 1HB SER 2 4.187 -2.067 -2.067
11 HG SER 2 HG SER 2 4.547 0.570 0.570
12 H CYS 3 H CYS 3 5.678 -3.276 -3.276
13 HA CYS 3 HA CYS 3 3.004 -4.387 -4.387
14 1HB CYS 3 2HB CYS 3 5.652 -4.711 -4.711
15 2HB CYS 3 1HB CYS 3 4.107 -5.179 -5.179
16 H LYS 4 H LYS 4 3.523 -5.275 -5.275
17 HA LYS 4 HA LYS 4 5.261 -7.549 -7.549
18 1HB LYS 4 2HB LYS 4 4.464 -6.268 -6.268
19 2HB LYS 4 1HB LYS 4 2.810 -6.754 -6.754
20 1HG LYS 4 2HG LYS 4 3.514 -9.179 -9.179
21 2HG LYS 4 1HG LYS 4 5.126 -8.634 -8.634
22 1HD LYS 4 2HD LYS 4 2.609 -7.871 -7.871
23 2HD LYS 4 1HD LYS 4 3.657 -9.197 -9.197
24 1HE LYS 4 2HE LYS 4 4.547 -6.276 -6.276
25 2HE LYS 4 1HE LYS 4 4.133 -7.141 -7.141
26 1HZ LYS 4 3HZ LYS 4 5.988 -8.689 -8.689
27 2HZ LYS 4 2HZ LYS 4 6.572 -7.094 -7.094
28 3HZ LYS 4 1HZ LYS 4 6.179 -7.876 -7.876
29 H ASP 5 H ASP 5 5.051 -9.335 -9.335
30 HA ASP 5 HA ASP 5 4.241 -11.250 -11.250
31 1HB ASP 5 2HB ASP 5 3.175 -11.247 -11.247
32 2HB ASP 5 1HB ASP 5 1.696 -10.927 -10.927
33 H MET 6 H MET 6 3.897 -8.835 -8.835
34 HA MET 6 HA MET 6 1.498 -9.324 -9.324
35 1HB MET 6 2HB MET 6 2.603 -6.616 -6.616
36 2HB MET 6 1HB MET 6 1.316 -6.832 -6.832
37 1HG MET 6 2HG MET 6 -0.210 -7.214 -7.214
38 2HG MET 6 1HG MET 6 0.805 -8.250 -8.250
39 1HE MET 6 2HE MET 6 -1.092 -5.064 -5.064
40 2HE MET 6 1HE MET 6 -0.161 -3.868 -3.868
41 3HE MET 6 3HE MET 6 0.398 -4.384 -4.384
42 H THR 7 H THR 7 1.885 -7.819 -7.819
43 HA THR 7 HA THR 7 4.614 -8.475 -8.475
44 HB THR 7 HB THR 7 3.515 -8.536 -8.536
45 HG1 THR 7 HG1 THR 7 1.877 -7.244 -7.244
46 1HG2 THR 7 3HG2 THR 7 1.616 -9.882 -9.882
47 2HG2 THR 7 2HG2 THR 7 1.780 -10.279 -10.279
48 3HG2 THR 7 1HG2 THR 7 3.096 -10.625 -10.625
49 H ASP 8 H ASP 8 4.272 -6.714 -6.714
50 HA ASP 8 HA ASP 8 4.592 -4.080 -4.080
51 1HB ASP 8 2HB ASP 8 6.566 -4.871 -4.871
52 2HB ASP 8 1HB ASP 8 5.567 -5.032 -5.032
53 H LYS 9 H LYS 9 3.690 -5.266 -5.266
54 HA LYS 9 HA LYS 9 2.060 -3.398 -3.398
55 1HB LYS 9 2HB LYS 9 2.559 -5.684 -5.684
56 2HB LYS 9 1HB LYS 9 1.257 -6.268 -6.268
57 1HG LYS 9 2HG LYS 9 -0.018 -5.866 -5.866
58 2HG LYS 9 1HG LYS 9 -0.084 -4.243 -4.243
59 1HD LYS 9 2HD LYS 9 1.867 -5.248 -5.248
60 2HD LYS 9 1HD LYS 9 0.456 -4.253 -4.253
61 1HE LYS 9 2HE LYS 9 1.480 -2.424 -2.424
62 2HE LYS 9 1HE LYS 9 2.923 -3.417 -3.417
63 1HZ LYS 9 1HZ LYS 9 2.285 -3.342 -3.342
64 2HZ LYS 9 3HZ LYS 9 2.190 -1.750 -1.750
65 3HZ LYS 9 2HZ LYS 9 3.618 -2.641 -2.641
66 H GLU 10 H GLU 10 0.893 -5.735 -5.735
67 HA GLU 10 HA GLU 10 -1.764 -4.556 -4.556
68 1HB GLU 10 2HB GLU 10 -1.283 -6.998 -6.998
69 2HB GLU 10 1HB GLU 10 -0.377 -6.685 -6.685
70 1HG GLU 10 2HG GLU 10 -2.378 -5.787 -5.787
71 2HG GLU 10 1HG GLU 10 -3.338 -6.069 -6.069
72 H CYS 11 H CYS 11 0.922 -4.903 -4.903
73 HA CYS 11 HA CYS 11 -0.053 -3.475 -3.475
74 1HB CYS 11 2HB CYS 11 2.165 -4.520 -4.520
75 2HB CYS 11 1HB CYS 11 2.765 -3.211 -3.211
76 H LEU 12 H LEU 12 1.404 -2.102 -2.102
77 HA LEU 12 HA LEU 12 1.495 0.618 0.618
78 1HB LEU 12 2HB LEU 12 0.894 -0.775 -0.775
79 2HB LEU 12 1HB LEU 12 1.226 0.928 0.928
80 HG LEU 12 HG LEU 12 3.085 -1.330 -1.330
81 1HD1 LEU 12 1HD1 LEU 12 3.136 0.560 0.560
82 2HD1 LEU 12 3HD1 LEU 12 3.440 1.652 1.652
83 3HD1 LEU 12 2HD1 LEU 12 4.656 0.461 0.461
84 1HD2 LEU 12 2HD2 LEU 12 3.600 0.639 0.639
85 2HD2 LEU 12 1HD2 LEU 12 3.320 -1.080 -1.080
86 3HD2 LEU 12 3HD2 LEU 12 4.760 -0.517 -0.517
87 H TYR 13 H TYR 13 -1.172 -1.242 -1.242
88 HA TYR 13 HA TYR 13 -3.037 0.774 0.774
89 1HB TYR 13 2HB TYR 13 -3.272 -1.748 -1.748
90 2HB TYR 13 1HB TYR 13 -3.755 -1.918 -1.918
91 HD1 TYR 13 HD1 TYR 13 -4.612 -0.082 -0.082
92 HD2 TYR 13 HD2 TYR 13 -6.039 -1.523 -1.523
93 HE1 TYR 13 HE1 TYR 13 -6.893 0.551 0.551
94 HE2 TYR 13 HE2 TYR 13 -8.315 -0.895 -0.895
95 HH TYR 13 HH TYR 13 -9.618 0.062 0.062
96 H PHE 14 H PHE 14 -1.828 -0.195 -0.195
97 HA PHE 14 HA PHE 14 -3.976 1.112 1.112
98 1HB PHE 14 2HB PHE 14 -1.713 -0.472 -0.472
99 2HB PHE 14 1HB PHE 14 -3.332 -0.240 -0.240
100 HD1 PHE 14 HD2 PHE 14 -4.995 -1.020 -1.020
101 HD2 PHE 14 HD1 PHE 14 -1.472 -2.771 -2.771
102 HE1 PHE 14 HE2 PHE 14 -5.601 -3.190 -3.190
103 HE2 PHE 14 HE1 PHE 14 -2.090 -4.925 -4.925
104 HZ PHE 14 HZ PHE 14 -4.147 -5.130 -5.130
105 H CYS 15 H CYS 15 -0.444 0.938 0.938
106 HA CYS 15 HA CYS 15 -0.232 3.502 3.502
107 1HB CYS 15 2HB CYS 15 0.841 1.522 1.522
108 2HB CYS 15 1HB CYS 15 1.780 1.382 1.382
109 H HIS 16 H HIS 16 -0.501 3.156 3.156
110 HA HIS 16 HA HIS 16 1.554 5.222 5.222
111 1HB HIS 16 2HB HIS 16 1.210 2.545 2.545
112 2HB HIS 16 1HB HIS 16 1.299 3.847 3.847
113 HD1 HIS 16 HD1 HIS 16 3.593 4.760 4.760
114 HD2 HIS 16 HD2 HIS 16 3.489 2.492 2.492
115 HE1 HIS 16 HE1 HIS 16 5.929 4.569 4.569
116 H GLN 17 H GLN 17 -1.337 3.593 3.593
117 HA GLN 17 HA GLN 17 -3.200 4.264 4.264
118 1HB GLN 17 2HB GLN 17 -3.446 5.429 5.429
119 2HB GLN 17 1HB GLN 17 -2.824 6.864 6.864
120 1HG GLN 17 2HG GLN 17 -4.757 6.571 6.571
121 2HG GLN 17 1HG GLN 17 -5.394 5.363 5.363
122 1HE2 GLN 17 2HE2 GLN 17 -6.238 9.181 9.181
123 2HE2 GLN 17 1HE2 GLN 17 -5.638 8.594 8.594
124 H ASP 18 H ASP 18 -0.884 4.474 4.474
125 HA ASP 18 HA ASP 18 -0.052 6.826 6.826
126 1HB ASP 18 2HB ASP 18 0.636 5.416 5.416
127 2HB ASP 18 1HB ASP 18 0.958 4.589 4.589
128 H VAL 19 H VAL 19 -2.713 4.763 4.763
129 HA VAL 19 HA VAL 19 -3.924 7.100 7.100
130 HB VAL 19 HB VAL 19 -3.012 5.427 5.427
131 1HG1 VAL 19 2HG1 VAL 19 -3.245 3.368 3.368
132 2HG1 VAL 19 1HG1 VAL 19 -4.991 3.468 3.468
133 3HG1 VAL 19 3HG1 VAL 19 -4.021 3.141 3.141
134 1HG2 VAL 19 2HG2 VAL 19 -4.989 6.678 6.678
135 2HG2 VAL 19 1HG2 VAL 19 -5.016 5.053 5.053
136 3HG2 VAL 19 3HG2 VAL 19 -6.053 5.463 5.463
137 H ILE 20 H ILE 20 -6.119 7.045 7.045
138 HA ILE 20 HA ILE 20 -7.775 5.292 5.292
139 HB ILE 20 HB ILE 20 -6.833 6.971 6.971
140 1HG1 ILE 20 2HG1 ILE 20 -9.813 7.422 7.422
141 2HG1 ILE 20 1HG1 ILE 20 -9.169 5.984 5.984
142 1HG2 ILE 20 1HG2 ILE 20 -6.541 8.855 8.855
143 2HG2 ILE 20 3HG2 ILE 20 -8.282 9.029 9.029
144 3HG2 ILE 20 2HG2 ILE 20 -7.473 9.371 9.371
145 1HD1 ILE 20 1HD1 ILE 20 -8.215 7.389 7.389
146 2HD1 ILE 20 3HD1 ILE 20 -8.872 8.831 8.831
147 3HD1 ILE 20 2HD1 ILE 20 -9.953 7.599 7.599
148 H TRP 21 H TRP 21 -10.005 5.555 5.555
149 HA TRP 21 HA TRP 21 -10.742 7.420 7.420
150 1HB TRP 21 2HB TRP 21 -11.463 4.443 4.443
151 2HB TRP 21 1HB TRP 21 -11.981 5.572 5.572
152 HD1 TRP 21 HD1 TRP 21 -9.413 3.012 3.012
153 HE1 TRP 21 HE1 TRP 21 -7.492 3.473 3.473
154 HE3 TRP 21 HE3 TRP 21 -10.441 7.754 7.754
155 HZ2 TRP 21 HZ2 TRP 21 -6.404 5.552 5.552
156 HZ3 TRP 21 HZ3 TRP 21 -8.964 8.967 8.967
157 HH2 TRP 21 HH2 TRP 21 -6.944 7.872 7.872
Start of MODEL 6
1 1H CYS 1 2H CYS 1 7.402 2.867 2.867
2 2H CYS 1 1H CYS 1 6.315 3.490 3.490
3 3H CYS 1 3H CYS 1 6.366 4.150 4.150
4 HA CYS 1 HA CYS 1 4.816 2.754 2.754
5 1HB CYS 1 2HB CYS 1 5.156 1.489 1.489
6 2HB CYS 1 1HB CYS 1 3.797 1.212 1.212
7 H SER 2 H SER 2 4.195 0.271 0.271
8 HA SER 2 HA SER 2 6.557 -1.441 -1.441
9 1HB SER 2 2HB SER 2 5.688 -0.636 -0.636
10 2HB SER 2 1HB SER 2 4.040 -1.122 -1.122
11 HG SER 2 HG SER 2 5.980 -2.606 -2.606
12 H CYS 3 H CYS 3 6.388 -3.290 -3.290
13 HA CYS 3 HA CYS 3 3.684 -4.165 -4.165
14 1HB CYS 3 2HB CYS 3 6.281 -4.198 -4.198
15 2HB CYS 3 1HB CYS 3 4.837 -4.987 -4.987
16 H LYS 4 H LYS 4 3.770 -5.449 -5.449
17 HA LYS 4 HA LYS 4 5.440 -7.915 -7.915
18 1HB LYS 4 2HB LYS 4 3.547 -6.864 -6.864
19 2HB LYS 4 1HB LYS 4 4.363 -8.414 -8.414
20 1HG LYS 4 2HG LYS 4 6.575 -7.233 -7.233
21 2HG LYS 4 1HG LYS 4 5.719 -5.697 -5.697
22 1HD LYS 4 2HD LYS 4 4.900 -6.077 -6.077
23 2HD LYS 4 1HD LYS 4 5.353 -7.772 -7.772
24 1HE LYS 4 2HE LYS 4 7.761 -7.087 -7.087
25 2HE LYS 4 1HE LYS 4 7.274 -5.398 -5.398
26 1HZ LYS 4 1HZ LYS 4 6.006 -6.831 -6.831
27 2HZ LYS 4 3HZ LYS 4 7.654 -7.238 -7.238
28 3HZ LYS 4 2HZ LYS 4 7.183 -5.611 -5.611
29 H ASP 5 H ASP 5 4.194 -9.949 -9.949
30 HA ASP 5 HA ASP 5 2.852 -11.513 -11.513
31 1HB ASP 5 2HB ASP 5 0.573 -11.431 -11.431
32 2HB ASP 5 1HB ASP 5 1.931 -11.295 -11.295
33 H MET 6 H MET 6 3.250 -9.336 -9.336
34 HA MET 6 HA MET 6 0.940 -9.578 -9.578
35 1HB MET 6 2HB MET 6 2.207 -6.954 -6.954
36 2HB MET 6 1HB MET 6 1.337 -7.031 -7.031
37 1HG MET 6 2HG MET 6 -0.553 -6.691 -6.691
38 2HG MET 6 1HG MET 6 -0.354 -8.217 -8.217
39 1HE MET 6 2HE MET 6 0.535 -4.452 -4.452
40 2HE MET 6 1HE MET 6 -1.167 -4.573 -4.573
41 3HE MET 6 3HE MET 6 0.082 -4.072 -4.072
42 H THR 7 H THR 7 1.782 -8.186 -8.186
43 HA THR 7 HA THR 7 4.450 -9.302 -9.302
44 HB THR 7 HB THR 7 2.534 -10.348 -10.348
45 HG1 THR 7 HG1 THR 7 3.772 -10.198 -10.198
46 1HG2 THR 7 2HG2 THR 7 1.801 -7.490 -7.490
47 2HG2 THR 7 1HG2 THR 7 1.055 -8.961 -8.961
48 3HG2 THR 7 3HG2 THR 7 0.867 -8.514 -8.514
49 H ASP 8 H ASP 8 3.878 -7.344 -7.344
50 HA ASP 8 HA ASP 8 4.855 -4.893 -4.893
51 1HB ASP 8 2HB ASP 8 5.423 -5.903 -5.903
52 2HB ASP 8 1HB ASP 8 6.002 -4.365 -4.365
53 H LYS 9 H LYS 9 3.373 -5.443 -5.443
54 HA LYS 9 HA LYS 9 2.249 -2.943 -2.943
55 1HB LYS 9 2HB LYS 9 2.234 -5.166 -5.166
56 2HB LYS 9 1HB LYS 9 0.652 -5.355 -5.355
57 1HG LYS 9 2HG LYS 9 1.626 -2.857 -2.857
58 2HG LYS 9 1HG LYS 9 0.640 -4.097 -4.097
59 1HD LYS 9 2HD LYS 9 -1.244 -3.565 -3.565
60 2HD LYS 9 1HD LYS 9 -0.257 -2.443 -2.443
61 1HE LYS 9 2HE LYS 9 0.007 -0.972 -0.972
62 2HE LYS 9 1HE LYS 9 -0.978 -2.051 -2.051
63 1HZ LYS 9 1HZ LYS 9 -2.362 -1.541 -1.541
64 2HZ LYS 9 3HZ LYS 9 -1.820 -0.049 -0.049
65 3HZ LYS 9 2HZ LYS 9 -2.763 -1.059 -1.059
66 H GLU 10 H GLU 10 0.391 -5.693 -5.693
67 HA GLU 10 HA GLU 10 -1.902 -4.336 -4.336
68 1HB GLU 10 2HB GLU 10 -0.487 -6.624 -6.624
69 2HB GLU 10 1HB GLU 10 -2.121 -6.122 -6.122
70 1HG GLU 10 2HG GLU 10 -2.730 -6.472 -6.472
71 2HG GLU 10 1HG GLU 10 -1.138 -7.170 -7.170
72 H CYS 11 H CYS 11 0.816 -4.986 -4.986
73 HA CYS 11 HA CYS 11 0.024 -3.552 -3.552
74 1HB CYS 11 2HB CYS 11 2.173 -4.719 -4.719
75 2HB CYS 11 1HB CYS 11 2.815 -3.501 -3.501
76 H LEU 12 H LEU 12 1.777 -2.139 -2.139
77 HA LEU 12 HA LEU 12 1.809 0.555 0.555
78 1HB LEU 12 2HB LEU 12 1.512 -0.578 -0.578
79 2HB LEU 12 1HB LEU 12 1.855 1.089 1.089
80 HG LEU 12 HG LEU 12 3.645 -1.281 -1.281
81 1HD1 LEU 12 1HD1 LEU 12 3.833 0.716 0.716
82 2HD1 LEU 12 3HD1 LEU 12 4.059 1.723 1.723
83 3HD1 LEU 12 2HD1 LEU 12 5.280 0.527 0.527
84 1HD2 LEU 12 1HD2 LEU 12 4.018 0.764 0.764
85 2HD2 LEU 12 3HD2 LEU 12 3.616 -0.915 -0.915
86 3HD2 LEU 12 2HD2 LEU 12 5.161 -0.494 -0.494
87 H TYR 13 H TYR 13 -0.477 -1.030 -1.030
88 HA TYR 13 HA TYR 13 -2.350 0.826 0.826
89 1HB TYR 13 2HB TYR 13 -2.461 -1.660 -1.660
90 2HB TYR 13 1HB TYR 13 -3.220 -1.926 -1.926
91 HD1 TYR 13 HD1 TYR 13 -3.527 0.287 0.287
92 HD2 TYR 13 HD2 TYR 13 -5.588 -1.727 -1.727
93 HE1 TYR 13 HE1 TYR 13 -5.667 1.022 1.022
94 HE2 TYR 13 HE2 TYR 13 -7.726 -0.993 -0.993
95 HH TYR 13 HH TYR 13 -7.867 1.181 1.181
96 H PHE 14 H PHE 14 -1.837 -0.462 -0.462
97 HA PHE 14 HA PHE 14 -4.237 0.806 0.806
98 1HB PHE 14 2HB PHE 14 -2.207 -0.744 -0.744
99 2HB PHE 14 1HB PHE 14 -3.925 -0.596 -0.596
100 HD1 PHE 14 HD1 PHE 14 -5.099 -1.338 -1.338
101 HD2 PHE 14 HD2 PHE 14 -1.753 -2.978 -2.978
102 HE1 PHE 14 HE1 PHE 14 -5.405 -3.475 -3.475
103 HE2 PHE 14 HE2 PHE 14 -2.064 -5.107 -5.107
104 HZ PHE 14 HZ PHE 14 -3.882 -5.347 -5.347
105 H CYS 15 H CYS 15 -0.712 0.836 0.836
106 HA CYS 15 HA CYS 15 -1.040 3.176 3.176
107 1HB CYS 15 2HB CYS 15 0.422 1.352 1.352
108 2HB CYS 15 1HB CYS 15 1.395 1.644 1.644
109 H HIS 16 H HIS 16 0.548 2.446 2.446
110 HA HIS 16 HA HIS 16 1.473 5.206 5.206
111 1HB HIS 16 2HB HIS 16 1.979 2.604 2.604
112 2HB HIS 16 1HB HIS 16 2.250 4.075 4.075
113 HD1 HIS 16 HD1 HIS 16 3.955 5.741 5.741
114 HD2 HIS 16 HD2 HIS 16 3.920 2.094 2.094
115 HE1 HIS 16 HE1 HIS 16 5.998 5.631 5.631
116 H GLN 17 H GLN 17 -1.318 3.344 3.344
117 HA GLN 17 HA GLN 17 -2.003 5.461 5.461
118 1HB GLN 17 2HB GLN 17 -1.344 2.977 2.977
119 2HB GLN 17 1HB GLN 17 -3.032 2.706 2.706
120 1HG GLN 17 2HG GLN 17 -3.703 4.511 4.511
121 2HG GLN 17 1HG GLN 17 -2.016 4.756 4.756
122 1HE2 GLN 17 2HE2 GLN 17 -3.975 2.159 2.159
123 2HE2 GLN 17 1HE2 GLN 17 -4.603 3.536 3.536
124 H ASP 18 H ASP 18 -2.981 5.676 5.676
125 HA ASP 18 HA ASP 18 -5.910 5.219 5.219
126 1HB ASP 18 2HB ASP 18 -4.261 4.953 4.953
127 2HB ASP 18 1HB ASP 18 -5.952 5.357 5.357
128 H VAL 19 H VAL 19 -4.444 7.220 7.220
129 HA VAL 19 HA VAL 19 -5.925 9.555 9.555
130 HB VAL 19 HB VAL 19 -5.388 9.087 9.087
131 1HG1 VAL 19 2HG1 VAL 19 -7.226 11.053 11.053
132 2HG1 VAL 19 1HG1 VAL 19 -7.140 10.846 10.846
133 3HG1 VAL 19 3HG1 VAL 19 -5.759 11.470 11.470
134 1HG2 VAL 19 1HG2 VAL 19 -7.957 8.575 8.575
135 2HG2 VAL 19 3HG2 VAL 19 -6.952 7.335 7.335
136 3HG2 VAL 19 2HG2 VAL 19 -7.808 8.478 8.478
137 H ILE 20 H ILE 20 -5.052 11.579 11.579
138 HA ILE 20 HA ILE 20 -2.123 11.710 11.710
139 HB ILE 20 HB ILE 20 -3.600 13.209 13.209
140 1HG1 ILE 20 2HG1 ILE 20 -1.610 10.879 10.879
141 2HG1 ILE 20 1HG1 ILE 20 -3.324 10.751 10.751
142 1HG2 ILE 20 1HG2 ILE 20 -1.667 14.454 14.454
143 2HG2 ILE 20 3HG2 ILE 20 -0.631 13.066 13.066
144 3HG2 ILE 20 2HG2 ILE 20 -1.278 13.966 13.966
145 1HD1 ILE 20 3HD1 ILE 20 -3.071 12.352 12.352
146 2HD1 ILE 20 2HD1 ILE 20 -1.342 12.425 12.425
147 3HD1 ILE 20 1HD1 ILE 20 -2.081 10.914 10.914
148 H TRP 21 H TRP 21 -1.757 12.967 12.967
149 HA TRP 21 HA TRP 21 -3.059 15.537 15.537
150 1HB TRP 21 2HB TRP 21 -3.620 14.621 14.621
151 2HB TRP 21 1HB TRP 21 -4.753 14.511 14.511
152 HD1 TRP 21 HD1 TRP 21 -6.002 12.419 12.419
153 HE1 TRP 21 HE1 TRP 21 -5.331 10.029 10.029
154 HE3 TRP 21 HE3 TRP 21 -1.010 12.744 12.744
155 HZ2 TRP 21 HZ2 TRP 21 -3.031 8.328 8.328
156 HZ3 TRP 21 HZ3 TRP 21 0.388 10.750 10.750
157 HH2 TRP 21 HH2 TRP 21 -0.608 8.529 8.529
Start of MODEL 7
1 1H CYS 1 1H CYS 1 6.733 2.591 2.591
2 2H CYS 1 3H CYS 1 5.312 3.440 3.440
3 3H CYS 1 2H CYS 1 6.053 3.668 3.668
4 HA CYS 1 HA CYS 1 4.866 2.053 2.053
5 1HB CYS 1 2HB CYS 1 3.840 1.297 1.297
6 2HB CYS 1 1HB CYS 1 3.045 1.100 1.100
7 H SER 2 H SER 2 4.230 -0.395 -0.395
8 HA SER 2 HA SER 2 6.598 -1.909 -1.909
9 1HB SER 2 2HB SER 2 6.563 -1.767 -1.767
10 2HB SER 2 1HB SER 2 4.984 -2.564 -2.564
11 HG SER 2 HG SER 2 7.385 -3.664 -3.664
12 H CYS 3 H CYS 3 5.782 -4.365 -4.365
13 HA CYS 3 HA CYS 3 3.134 -4.660 -4.660
14 1HB CYS 3 2HB CYS 3 5.729 -5.954 -5.954
15 2HB CYS 3 1HB CYS 3 4.203 -6.430 -6.430
16 H LYS 4 H LYS 4 5.820 -6.254 -6.254
17 HA LYS 4 HA LYS 4 5.906 -8.552 -8.552
18 1HB LYS 4 2HB LYS 4 6.373 -6.615 -6.615
19 2HB LYS 4 1HB LYS 4 4.760 -6.847 -6.847
20 1HG LYS 4 2HG LYS 4 5.466 -9.353 -9.353
21 2HG LYS 4 1HG LYS 4 7.095 -8.825 -8.825
22 1HD LYS 4 2HD LYS 4 5.348 -7.780 -7.780
23 2HD LYS 4 1HD LYS 4 6.657 -8.933 -8.933
24 1HE LYS 4 2HE LYS 4 8.299 -7.264 -7.264
25 2HE LYS 4 1HE LYS 4 7.042 -6.075 -6.075
26 1HZ LYS 4 3HZ LYS 4 6.659 -7.054 -7.054
27 2HZ LYS 4 2HZ LYS 4 8.293 -6.610 -6.610
28 3HZ LYS 4 1HZ LYS 4 7.068 -5.481 -5.481
29 H ASP 5 H ASP 5 3.942 -9.007 -9.007
30 HA ASP 5 HA ASP 5 2.363 -11.026 -11.026
31 1HB ASP 5 2HB ASP 5 1.219 -8.738 -8.738
32 2HB ASP 5 1HB ASP 5 0.414 -8.807 -8.807
33 H MET 6 H MET 6 2.236 -8.133 -8.133
34 HA MET 6 HA MET 6 1.101 -9.635 -9.635
35 1HB MET 6 2HB MET 6 1.624 -6.650 -6.650
36 2HB MET 6 1HB MET 6 0.745 -7.465 -7.465
37 1HG MET 6 2HG MET 6 -0.960 -6.695 -6.695
38 2HG MET 6 1HG MET 6 -0.752 -8.315 -8.315
39 1HE MET 6 1HE MET 6 0.407 -4.737 -4.737
40 2HE MET 6 3HE MET 6 -1.228 -4.640 -4.640
41 3HE MET 6 2HE MET 6 0.197 -4.417 -4.417
42 H THR 7 H THR 7 1.989 -8.505 -8.505
43 HA THR 7 HA THR 7 4.853 -9.212 -9.212
44 HB THR 7 HB THR 7 4.329 -9.296 -9.296
45 HG1 THR 7 HG1 THR 7 2.641 -8.166 -8.166
46 1HG2 THR 7 1HG2 THR 7 3.767 -11.351 -11.351
47 2HG2 THR 7 3HG2 THR 7 2.161 -10.687 -10.687
48 3HG2 THR 7 2HG2 THR 7 2.702 -11.161 -11.161
49 H ASP 8 H ASP 8 3.449 -6.970 -6.970
50 HA ASP 8 HA ASP 8 4.828 -4.639 -4.639
51 1HB ASP 8 2HB ASP 8 6.193 -6.132 -6.132
52 2HB ASP 8 1HB ASP 8 5.338 -5.003 -5.003
53 H LYS 9 H LYS 9 3.245 -5.681 -5.681
54 HA LYS 9 HA LYS 9 1.973 -3.355 -3.355
55 1HB LYS 9 2HB LYS 9 1.990 -5.845 -5.845
56 2HB LYS 9 1HB LYS 9 0.483 -5.931 -5.931
57 1HG LYS 9 2HG LYS 9 -0.303 -5.170 -5.170
58 2HG LYS 9 1HG LYS 9 -0.039 -3.637 -3.637
59 1HD LYS 9 2HD LYS 9 2.239 -3.483 -3.483
60 2HD LYS 9 1HD LYS 9 2.000 -5.039 -5.039
61 1HE LYS 9 2HE LYS 9 0.000 -4.061 -4.061
62 2HE LYS 9 1HE LYS 9 0.442 -2.487 -2.487
63 1HZ LYS 9 1HZ LYS 9 2.712 -3.672 -3.672
64 2HZ LYS 9 3HZ LYS 9 1.444 -3.756 -3.756
65 3HZ LYS 9 2HZ LYS 9 1.904 -2.256 -2.256
66 H GLU 10 H GLU 10 0.669 -5.831 -5.831
67 HA GLU 10 HA GLU 10 -1.805 -4.691 -4.691
68 1HB GLU 10 2HB GLU 10 0.007 -6.282 -6.282
69 2HB GLU 10 1HB GLU 10 -1.735 -6.192 -6.192
70 1HG GLU 10 2HG GLU 10 -1.924 -7.456 -7.456
71 2HG GLU 10 1HG GLU 10 -0.180 -7.463 -7.463
72 H CYS 11 H CYS 11 1.108 -4.752 -4.752
73 HA CYS 11 HA CYS 11 0.754 -3.097 -3.097
74 1HB CYS 11 2HB CYS 11 3.166 -2.609 -2.609
75 2HB CYS 11 1HB CYS 11 3.043 -2.530 -2.530
76 H LEU 12 H LEU 12 1.757 -1.864 -1.864
77 HA LEU 12 HA LEU 12 1.695 0.889 0.889
78 1HB LEU 12 2HB LEU 12 0.889 -0.509 -0.509
79 2HB LEU 12 1HB LEU 12 1.399 1.141 1.141
80 HG LEU 12 HG LEU 12 3.016 -1.349 -1.349
81 1HD1 LEU 12 3HD1 LEU 12 3.424 1.527 1.527
82 2HD1 LEU 12 2HD1 LEU 12 4.532 0.211 0.211
83 3HD1 LEU 12 1HD1 LEU 12 2.892 0.221 0.221
84 1HD2 LEU 12 2HD2 LEU 12 3.984 1.000 1.000
85 2HD2 LEU 12 1HD2 LEU 12 3.593 -0.581 -0.581
86 3HD2 LEU 12 3HD2 LEU 12 4.933 -0.396 -0.396
87 H TYR 13 H TYR 13 -0.862 -1.049 -1.049
88 HA TYR 13 HA TYR 13 -2.853 0.762 0.762
89 1HB TYR 13 2HB TYR 13 -3.025 -1.807 -1.807
90 2HB TYR 13 1HB TYR 13 -3.490 -1.874 -1.874
91 HD1 TYR 13 HD1 TYR 13 -4.331 -0.035 -0.035
92 HD2 TYR 13 HD2 TYR 13 -5.813 -1.604 -1.604
93 HE1 TYR 13 HE1 TYR 13 -6.601 0.611 0.611
94 HE2 TYR 13 HE2 TYR 13 -8.081 -0.954 -0.954
95 HH TYR 13 HH TYR 13 -8.712 0.780 0.780
96 H PHE 14 H PHE 14 -1.910 -0.409 -0.409
97 HA PHE 14 HA PHE 14 -4.001 1.044 1.044
98 1HB PHE 14 2HB PHE 14 -1.661 -0.392 -0.392
99 2HB PHE 14 1HB PHE 14 -3.300 -0.248 -0.248
100 HD1 PHE 14 HD1 PHE 14 -5.025 -1.203 -1.203
101 HD2 PHE 14 HD2 PHE 14 -1.145 -2.578 -2.578
102 HE1 PHE 14 HE1 PHE 14 -5.502 -3.396 -3.396
103 HE2 PHE 14 HE2 PHE 14 -1.629 -4.758 -4.758
104 HZ PHE 14 HZ PHE 14 -3.800 -5.167 -5.167
105 H CYS 15 H CYS 15 -0.450 1.005 1.005
106 HA CYS 15 HA CYS 15 -0.178 3.426 3.426
107 1HB CYS 15 2HB CYS 15 1.442 1.562 1.562
108 2HB CYS 15 1HB CYS 15 1.839 1.958 1.958
109 H HIS 16 H HIS 16 0.961 2.729 2.729
110 HA HIS 16 HA HIS 16 1.611 5.267 5.267
111 1HB HIS 16 2HB HIS 16 0.686 2.828 2.828
112 2HB HIS 16 1HB HIS 16 0.510 4.308 4.308
113 HD1 HIS 16 HD1 HIS 16 2.474 4.523 4.523
114 HD2 HIS 16 HD2 HIS 16 3.562 3.056 3.056
115 HE1 HIS 16 HE1 HIS 16 4.954 4.315 4.315
116 H GLN 17 H GLN 17 -1.427 3.704 3.704
117 HA GLN 17 HA GLN 17 -3.596 4.413 4.413
118 1HB GLN 17 2HB GLN 17 -2.635 5.759 5.759
119 2HB GLN 17 1HB GLN 17 -3.356 7.031 7.031
120 1HG GLN 17 2HG GLN 17 -4.769 4.434 4.434
121 2HG GLN 17 1HG GLN 17 -4.981 5.962 5.962
122 1HE2 GLN 17 2HE2 GLN 17 -7.450 7.012 7.012
123 2HE2 GLN 17 1HE2 GLN 17 -6.750 7.118 7.118
124 H ASP 18 H ASP 18 -2.536 4.586 4.586
125 HA ASP 18 HA ASP 18 -2.251 7.307 7.307
126 1HB ASP 18 2HB ASP 18 -1.811 4.550 4.550
127 2HB ASP 18 1HB ASP 18 -1.747 5.939 5.939
128 H VAL 19 H VAL 19 -4.339 4.455 4.455
129 HA VAL 19 HA VAL 19 -6.236 6.239 6.239
130 HB VAL 19 HB VAL 19 -7.028 4.220 4.220
131 1HG1 VAL 19 1HG1 VAL 19 -4.023 4.620 4.620
132 2HG1 VAL 19 3HG1 VAL 19 -5.015 3.773 3.773
133 3HG1 VAL 19 2HG1 VAL 19 -5.277 5.484 5.484
134 1HG2 VAL 19 1HG2 VAL 19 -4.801 2.737 2.737
135 2HG2 VAL 19 3HG2 VAL 19 -6.529 2.498 2.498
136 3HG2 VAL 19 2HG2 VAL 19 -5.780 2.060 2.060
137 H ILE 20 H ILE 20 -8.256 6.336 6.336
138 HA ILE 20 HA ILE 20 -9.197 4.821 4.821
139 HB ILE 20 HB ILE 20 -8.667 7.144 7.144
140 1HG1 ILE 20 2HG1 ILE 20 -11.689 6.796 6.796
141 2HG1 ILE 20 1HG1 ILE 20 -10.649 6.110 6.110
142 1HG2 ILE 20 3HG2 ILE 20 -10.482 8.064 8.064
143 2HG2 ILE 20 2HG2 ILE 20 -9.752 9.102 9.102
144 3HG2 ILE 20 1HG2 ILE 20 -8.741 8.217 8.217
145 1HD1 ILE 20 1HD1 ILE 20 -9.964 8.411 8.411
146 2HD1 ILE 20 3HD1 ILE 20 -11.049 9.094 9.094
147 3HD1 ILE 20 2HD1 ILE 20 -11.690 8.170 8.170
148 H TRP 21 H TRP 21 -10.162 3.254 3.254
149 HA TRP 21 HA TRP 21 -12.426 4.141 4.141
150 1HB TRP 21 2HB TRP 21 -11.094 1.389 1.389
151 2HB TRP 21 1HB TRP 21 -12.235 1.968 1.968
152 HD1 TRP 21 HD1 TRP 21 -8.796 1.162 1.162
153 HE1 TRP 21 HE1 TRP 21 -7.477 2.609 2.609
154 HE3 TRP 21 HE3 TRP 21 -12.094 4.919 4.919
155 HZ2 TRP 21 HZ2 TRP 21 -7.659 5.047 5.047
156 HZ3 TRP 21 HZ3 TRP 21 -11.499 6.789 6.789
157 HH2 TRP 21 HH2 TRP 21 -9.279 6.863 6.863
Start of MODEL 8
1 1H CYS 1 2H CYS 1 8.084 0.874 0.874
2 2H CYS 1 1H CYS 1 7.350 1.453 1.453
3 3H CYS 1 3H CYS 1 7.599 2.497 2.497
4 HA CYS 1 HA CYS 1 5.624 2.009 2.009
5 1HB CYS 1 2HB CYS 1 5.540 0.002 0.002
6 2HB CYS 1 1HB CYS 1 4.150 0.423 0.423
7 H SER 2 H SER 2 4.168 0.198 0.198
8 HA SER 2 HA SER 2 5.742 -1.963 -1.963
9 1HB SER 2 2HB SER 2 5.062 -0.188 -0.188
10 2HB SER 2 1HB SER 2 3.377 -0.325 -0.325
11 HG SER 2 HG SER 2 4.309 -2.773 -2.773
12 H CYS 3 H CYS 3 5.200 -3.177 -3.177
13 HA CYS 3 HA CYS 3 2.432 -3.795 -3.795
14 1HB CYS 3 2HB CYS 3 4.832 -5.449 -5.449
15 2HB CYS 3 1HB CYS 3 3.338 -5.351 -5.351
16 H LYS 4 H LYS 4 5.063 -5.388 -5.388
17 HA LYS 4 HA LYS 4 5.177 -7.161 -7.161
18 1HB LYS 4 2HB LYS 4 3.643 -5.382 -5.382
19 2HB LYS 4 1HB LYS 4 2.306 -6.439 -6.439
20 1HG LYS 4 2HG LYS 4 2.925 -7.005 -7.005
21 2HG LYS 4 1HG LYS 4 3.602 -8.294 -8.294
22 1HD LYS 4 2HD LYS 4 5.839 -7.220 -7.220
23 2HD LYS 4 1HD LYS 4 5.181 -5.830 -5.830
24 1HE LYS 4 2HE LYS 4 5.223 -8.666 -8.666
25 2HE LYS 4 1HE LYS 4 6.321 -7.371 -7.371
26 1HZ LYS 4 3HZ LYS 4 3.706 -6.415 -6.415
27 2HZ LYS 4 2HZ LYS 4 3.783 -7.913 -7.913
28 3HZ LYS 4 1HZ LYS 4 4.844 -6.664 -6.664
29 H ASP 5 H ASP 5 5.279 -8.648 -8.648
30 HA ASP 5 HA ASP 5 4.903 -10.678 -10.678
31 1HB ASP 5 2HB ASP 5 2.908 -10.730 -10.730
32 2HB ASP 5 1HB ASP 5 2.882 -12.045 -12.045
33 H MET 6 H MET 6 3.911 -8.623 -8.623
34 HA MET 6 HA MET 6 1.663 -9.940 -9.940
35 1HB MET 6 2HB MET 6 2.022 -6.924 -6.924
36 2HB MET 6 1HB MET 6 0.800 -7.643 -7.643
37 1HG MET 6 2HG MET 6 0.138 -8.933 -8.933
38 2HG MET 6 1HG MET 6 1.014 -7.665 -7.665
39 1HE MET 6 2HE MET 6 0.559 -5.101 -5.101
40 2HE MET 6 1HE MET 6 -1.084 -4.551 -4.551
41 3HE MET 6 3HE MET 6 -0.346 -5.483 -5.483
42 H THR 7 H THR 7 1.731 -8.218 -8.218
43 HA THR 7 HA THR 7 4.429 -8.860 -8.860
44 HB THR 7 HB THR 7 3.294 -8.713 -8.713
45 HG1 THR 7 HG1 THR 7 1.739 -7.311 -7.311
46 1HG2 THR 7 2HG2 THR 7 2.692 -10.848 -10.848
47 2HG2 THR 7 1HG2 THR 7 1.284 -10.007 -10.007
48 3HG2 THR 7 3HG2 THR 7 1.432 -10.329 -10.329
49 H ASP 8 H ASP 8 4.067 -6.881 -6.881
50 HA ASP 8 HA ASP 8 4.681 -4.388 -4.388
51 1HB ASP 8 2HB ASP 8 6.526 -5.326 -5.326
52 2HB ASP 8 1HB ASP 8 5.468 -5.088 -5.088
53 H LYS 9 H LYS 9 3.455 -5.352 -5.352
54 HA LYS 9 HA LYS 9 2.024 -3.128 -3.128
55 1HB LYS 9 2HB LYS 9 2.343 -5.228 -5.228
56 2HB LYS 9 1HB LYS 9 1.097 -5.960 -5.960
57 1HG LYS 9 2HG LYS 9 -0.616 -4.494 -4.494
58 2HG LYS 9 1HG LYS 9 0.545 -3.388 -3.388
59 1HD LYS 9 2HD LYS 9 0.177 -6.263 -6.263
60 2HD LYS 9 1HD LYS 9 -0.649 -4.898 -4.898
61 1HE LYS 9 2HE LYS 9 1.534 -3.878 -3.878
62 2HE LYS 9 1HE LYS 9 2.399 -5.242 -5.242
63 1HZ LYS 9 2HZ LYS 9 0.385 -6.146 -6.146
64 2HZ LYS 9 1HZ LYS 9 1.369 -5.020 -5.020
65 3HZ LYS 9 3HZ LYS 9 2.062 -6.395 -6.395
66 H GLU 10 H GLU 10 0.810 -5.679 -5.679
67 HA GLU 10 HA GLU 10 -1.793 -4.528 -4.528
68 1HB GLU 10 2HB GLU 10 -0.176 -6.462 -6.462
69 2HB GLU 10 1HB GLU 10 -1.900 -6.197 -6.197
70 1HG GLU 10 2HG GLU 10 -2.290 -7.084 -7.084
71 2HG GLU 10 1HG GLU 10 -0.572 -7.246 -7.246
72 H CYS 11 H CYS 11 1.032 -4.858 -4.858
73 HA CYS 11 HA CYS 11 0.515 -3.368 -3.368
74 1HB CYS 11 2HB CYS 11 2.693 -4.394 -4.394
75 2HB CYS 11 1HB CYS 11 3.080 -3.093 -3.093
76 H LEU 12 H LEU 12 1.618 -1.971 -1.971
77 HA LEU 12 HA LEU 12 1.704 0.743 0.743
78 1HB LEU 12 2HB LEU 12 0.950 -0.611 -0.611
79 2HB LEU 12 1HB LEU 12 1.226 1.101 1.101
80 HG LEU 12 HG LEU 12 3.160 -1.114 -1.114
81 1HD1 LEU 12 1HD1 LEU 12 3.330 1.882 1.882
82 2HD1 LEU 12 3HD1 LEU 12 4.578 0.761 0.761
83 3HD1 LEU 12 2HD1 LEU 12 2.982 0.739 0.739
84 1HD2 LEU 12 3HD2 LEU 12 3.824 0.984 0.984
85 2HD2 LEU 12 2HD2 LEU 12 3.602 -0.727 -0.727
86 3HD2 LEU 12 1HD2 LEU 12 4.941 -0.192 -0.192
87 H TYR 13 H TYR 13 -0.987 -0.958 -0.958
88 HA TYR 13 HA TYR 13 -2.890 1.042 1.042
89 1HB TYR 13 2HB TYR 13 -3.173 -1.365 -1.365
90 2HB TYR 13 1HB TYR 13 -3.559 -1.790 -1.790
91 HD1 TYR 13 HD1 TYR 13 -5.652 -0.819 -0.819
92 HD2 TYR 13 HD2 TYR 13 -4.737 -0.130 -0.130
93 HE1 TYR 13 HE1 TYR 13 -7.939 -0.057 -0.057
94 HE2 TYR 13 HE2 TYR 13 -7.030 0.631 0.631
95 HH TYR 13 HH TYR 13 -9.459 0.571 0.571
96 H PHE 14 H PHE 14 -1.674 -0.394 -0.394
97 HA PHE 14 HA PHE 14 -3.779 0.718 0.718
98 1HB PHE 14 2HB PHE 14 -1.329 -0.801 -0.801
99 2HB PHE 14 1HB PHE 14 -2.923 -0.737 -0.737
100 HD1 PHE 14 HD2 PHE 14 -4.534 -1.295 -1.295
101 HD2 PHE 14 HD1 PHE 14 -1.112 -3.140 -3.140
102 HE1 PHE 14 HE2 PHE 14 -5.075 -3.382 -3.382
103 HE2 PHE 14 HE1 PHE 14 -1.657 -5.232 -5.232
104 HZ PHE 14 HZ PHE 14 -3.635 -5.354 -5.354
105 H CYS 15 H CYS 15 -0.273 0.861 0.861
106 HA CYS 15 HA CYS 15 -0.003 3.201 3.201
107 1HB CYS 15 2HB CYS 15 1.454 1.325 1.325
108 2HB CYS 15 1HB CYS 15 1.980 1.448 1.448
109 H HIS 16 H HIS 16 0.950 2.433 2.433
110 HA HIS 16 HA HIS 16 1.511 5.301 5.301
111 1HB HIS 16 2HB HIS 16 1.772 2.846 2.846
112 2HB HIS 16 1HB HIS 16 2.171 4.467 4.467
113 HD1 HIS 16 HD1 HIS 16 4.561 3.172 3.172
114 HD2 HIS 16 HD2 HIS 16 3.374 4.076 4.076
115 HE1 HIS 16 HE1 HIS 16 6.581 3.052 3.052
116 H GLN 17 H GLN 17 -0.297 2.813 2.813
117 HA GLN 17 HA GLN 17 -2.311 2.810 2.810
118 1HB GLN 17 2HB GLN 17 -3.007 3.627 3.627
119 2HB GLN 17 1HB GLN 17 -3.011 5.237 5.237
120 1HG GLN 17 2HG GLN 17 -4.708 4.482 4.482
121 2HG GLN 17 1HG GLN 17 -4.727 2.906 2.906
122 1HE2 GLN 17 2HE2 GLN 17 -6.607 3.982 3.982
123 2HE2 GLN 17 1HE2 GLN 17 -5.542 2.800 2.800
124 H ASP 18 H ASP 18 -0.314 3.906 3.906
125 HA ASP 18 HA ASP 18 -0.050 6.241 6.241
126 1HB ASP 18 2HB ASP 18 0.986 4.324 4.324
127 2HB ASP 18 1HB ASP 18 -0.555 3.648 3.648
128 H VAL 19 H VAL 19 -2.589 4.230 4.230
129 HA VAL 19 HA VAL 19 -4.223 6.664 6.664
130 HB VAL 19 HB VAL 19 -3.336 5.821 5.821
131 1HG1 VAL 19 3HG1 VAL 19 -4.411 3.077 3.077
132 2HG1 VAL 19 2HG1 VAL 19 -3.688 3.424 3.424
133 3HG1 VAL 19 1HG1 VAL 19 -2.715 3.504 3.504
134 1HG2 VAL 19 3HG2 VAL 19 -5.704 6.461 6.461
135 2HG2 VAL 19 2HG2 VAL 19 -5.347 5.134 5.134
136 3HG2 VAL 19 1HG2 VAL 19 -6.199 4.824 4.824
137 H ILE 20 H ILE 20 -6.303 6.522 6.522
138 HA ILE 20 HA ILE 20 -7.685 4.133 4.133
139 HB ILE 20 HB ILE 20 -6.816 5.228 5.228
140 1HG1 ILE 20 2HG1 ILE 20 -9.815 5.818 5.818
141 2HG1 ILE 20 1HG1 ILE 20 -9.137 4.221 4.221
142 1HG2 ILE 20 1HG2 ILE 20 -6.473 7.485 7.485
143 2HG2 ILE 20 3HG2 ILE 20 -8.195 7.790 7.790
144 3HG2 ILE 20 2HG2 ILE 20 -7.377 7.568 7.568
145 1HD1 ILE 20 1HD1 ILE 20 -8.758 6.528 6.528
146 2HD1 ILE 20 3HD1 ILE 20 -9.853 5.174 5.174
147 3HD1 ILE 20 2HD1 ILE 20 -8.122 4.896 4.896
148 H TRP 21 H TRP 21 -8.260 4.469 4.469
149 HA TRP 21 HA TRP 21 -10.215 6.562 6.562
150 1HB TRP 21 2HB TRP 21 -10.030 5.629 5.629
151 2HB TRP 21 1HB TRP 21 -8.484 6.045 6.045
152 HD1 TRP 21 HD1 TRP 21 -8.162 4.376 4.376
153 HE1 TRP 21 HE1 TRP 21 -7.479 1.988 1.988
154 HE3 TRP 21 HE3 TRP 21 -9.491 3.094 3.094
155 HZ2 TRP 21 HZ2 TRP 21 -7.417 -0.219 -0.219
156 HZ3 TRP 21 HZ3 TRP 21 -9.091 0.851 0.851
157 HH2 TRP 21 HH2 TRP 21 -8.052 -0.835 -0.835
Start of MODEL 9
1 1H CYS 1 1H CYS 1 3.163 2.001 2.001
2 2H CYS 1 3H CYS 1 3.052 3.559 3.559
3 3H CYS 1 2H CYS 1 1.711 2.518 2.518
4 HA CYS 1 HA CYS 1 2.378 1.681 1.681
5 1HB CYS 1 2HB CYS 1 4.641 3.562 3.562
6 2HB CYS 1 1HB CYS 1 4.640 2.548 2.548
7 H SER 2 H SER 2 2.479 -0.321 -0.321
8 HA SER 2 HA SER 2 5.259 -1.420 -1.420
9 1HB SER 2 2HB SER 2 2.720 -2.274 -2.274
10 2HB SER 2 1HB SER 2 4.315 -3.021 -3.021
11 HG SER 2 HG SER 2 3.343 -0.757 -0.757
12 H CYS 3 H CYS 3 5.794 -2.916 -2.916
13 HA CYS 3 HA CYS 3 3.725 -4.447 -4.447
14 1HB CYS 3 2HB CYS 3 6.538 -3.725 -3.725
15 2HB CYS 3 1HB CYS 3 5.476 -4.672 -4.672
16 H LYS 4 H LYS 4 3.853 -5.656 -5.656
17 HA LYS 4 HA LYS 4 6.166 -7.506 -7.506
18 1HB LYS 4 2HB LYS 4 4.774 -6.128 -6.128
19 2HB LYS 4 1HB LYS 4 3.743 -7.526 -7.526
20 1HG LYS 4 2HG LYS 4 6.744 -7.480 -7.480
21 2HG LYS 4 1HG LYS 4 5.516 -7.699 -7.699
22 1HD LYS 4 2HD LYS 4 5.967 -9.681 -9.681
23 2HD LYS 4 1HD LYS 4 6.755 -9.785 -9.785
24 1HE LYS 4 2HE LYS 4 4.836 -11.265 -11.265
25 2HE LYS 4 1HE LYS 4 4.479 -9.890 -9.890
26 1HZ LYS 4 1HZ LYS 4 3.584 -9.375 -9.375
27 2HZ LYS 4 3HZ LYS 4 2.997 -10.874 -10.874
28 3HZ LYS 4 2HZ LYS 4 2.691 -9.483 -9.483
29 H ASP 5 H ASP 5 6.030 -9.170 -9.170
30 HA ASP 5 HA ASP 5 5.248 -10.844 -10.844
31 1HB ASP 5 2HB ASP 5 3.502 -11.242 -11.242
32 2HB ASP 5 1HB ASP 5 3.686 -12.432 -12.432
33 H MET 6 H MET 6 4.400 -8.873 -8.873
34 HA MET 6 HA MET 6 1.484 -9.058 -9.058
35 1HB MET 6 2HB MET 6 3.447 -6.747 -6.747
36 2HB MET 6 1HB MET 6 1.804 -6.687 -6.687
37 1HG MET 6 2HG MET 6 2.225 -7.448 -7.448
38 2HG MET 6 1HG MET 6 2.335 -5.795 -5.795
39 1HE MET 6 3HE MET 6 0.558 -4.328 -4.328
40 2HE MET 6 2HE MET 6 -1.025 -4.466 -4.466
41 3HE MET 6 1HE MET 6 0.390 -4.391 -4.391
42 H THR 7 H THR 7 1.391 -8.120 -8.120
43 HA THR 7 HA THR 7 3.369 -9.805 -9.805
44 HB THR 7 HB THR 7 1.604 -9.905 -9.905
45 HG1 THR 7 HG1 THR 7 0.079 -8.479 -8.479
46 1HG2 THR 7 3HG2 THR 7 0.435 -10.499 -10.499
47 2HG2 THR 7 2HG2 THR 7 -0.109 -11.194 -11.194
48 3HG2 THR 7 1HG2 THR 7 1.470 -11.615 -11.615
49 H ASP 8 H ASP 8 3.356 -6.908 -6.908
50 HA ASP 8 HA ASP 8 4.458 -4.991 -4.991
51 1HB ASP 8 2HB ASP 8 5.826 -6.489 -6.489
52 2HB ASP 8 1HB ASP 8 4.624 -6.218 -6.218
53 H LYS 9 H LYS 9 2.578 -6.035 -6.035
54 HA LYS 9 HA LYS 9 1.544 -3.553 -3.553
55 1HB LYS 9 2HB LYS 9 1.279 -5.793 -5.793
56 2HB LYS 9 1HB LYS 9 -0.024 -6.126 -6.126
57 1HG LYS 9 2HG LYS 9 -1.079 -3.869 -3.869
58 2HG LYS 9 1HG LYS 9 0.130 -3.853 -3.853
59 1HD LYS 9 2HD LYS 9 -0.737 -6.079 -6.079
60 2HD LYS 9 1HD LYS 9 -1.986 -6.027 -6.027
61 1HE LYS 9 2HE LYS 9 -2.739 -3.796 -3.796
62 2HE LYS 9 1HE LYS 9 -1.597 -4.057 -4.057
63 1HZ LYS 9 1HZ LYS 9 -3.047 -6.390 -6.390
64 2HZ LYS 9 3HZ LYS 9 -4.173 -5.125 -5.125
65 3HZ LYS 9 2HZ LYS 9 -3.100 -5.285 -5.285
66 H GLU 10 H GLU 10 -0.028 -5.934 -5.934
67 HA GLU 10 HA GLU 10 -2.267 -4.414 -4.414
68 1HB GLU 10 2HB GLU 10 -0.621 -6.438 -6.438
69 2HB GLU 10 1HB GLU 10 -2.163 -5.833 -5.833
70 1HG GLU 10 2HG GLU 10 -1.747 -7.188 -7.188
71 2HG GLU 10 1HG GLU 10 -2.346 -8.021 -8.021
72 H CYS 11 H CYS 11 0.760 -4.667 -4.667
73 HA CYS 11 HA CYS 11 0.287 -2.762 -2.762
74 1HB CYS 11 2HB CYS 11 2.384 -4.230 -4.230
75 2HB CYS 11 1HB CYS 11 2.991 -2.954 -2.954
76 H LEU 12 H LEU 12 1.570 -2.119 -2.119
77 HA LEU 12 HA LEU 12 1.967 0.643 0.643
78 1HB LEU 12 2HB LEU 12 0.937 -0.943 -0.943
79 2HB LEU 12 1HB LEU 12 1.519 0.689 0.689
80 HG LEU 12 HG LEU 12 3.003 -1.834 -1.834
81 1HD1 LEU 12 1HD1 LEU 12 3.118 -0.160 -0.160
82 2HD1 LEU 12 3HD1 LEU 12 3.726 1.029 1.029
83 3HD1 LEU 12 2HD1 LEU 12 4.712 -0.371 -0.371
84 1HD2 LEU 12 3HD2 LEU 12 4.063 0.313 0.313
85 2HD2 LEU 12 2HD2 LEU 12 3.565 -1.301 -1.301
86 3HD2 LEU 12 1HD2 LEU 12 4.957 -1.097 -1.097
87 H TYR 13 H TYR 13 -0.922 -1.058 -1.058
88 HA TYR 13 HA TYR 13 -2.630 1.098 1.098
89 1HB TYR 13 2HB TYR 13 -3.091 -1.380 -1.380
90 2HB TYR 13 1HB TYR 13 -3.571 -1.521 -1.521
91 HD1 TYR 13 HD2 TYR 13 -4.362 0.060 0.060
92 HD2 TYR 13 HD1 TYR 13 -5.672 -0.458 -0.458
93 HE1 TYR 13 HE2 TYR 13 -6.543 1.028 1.028
94 HE2 TYR 13 HE1 TYR 13 -7.852 0.508 0.508
95 HH TYR 13 HH TYR 13 -9.089 1.473 1.473
96 H PHE 14 H PHE 14 -1.397 0.163 0.163
97 HA PHE 14 HA PHE 14 -3.506 1.565 1.565
98 1HB PHE 14 2HB PHE 14 -1.191 -0.089 -0.089
99 2HB PHE 14 1HB PHE 14 -2.693 0.284 0.284
100 HD1 PHE 14 HD2 PHE 14 -4.509 -0.381 -0.381
101 HD2 PHE 14 HD1 PHE 14 -1.346 -2.442 -2.442
102 HE1 PHE 14 HE2 PHE 14 -5.371 -2.516 -2.516
103 HE2 PHE 14 HE1 PHE 14 -2.221 -4.582 -4.582
104 HZ PHE 14 HZ PHE 14 -4.217 -4.610 -4.610
105 H CYS 15 H CYS 15 0.010 1.395 1.395
106 HA CYS 15 HA CYS 15 0.366 4.019 4.019
107 1HB CYS 15 2HB CYS 15 1.704 2.181 2.181
108 2HB CYS 15 1HB CYS 15 2.388 1.972 1.972
109 H HIS 16 H HIS 16 1.372 2.466 2.466
110 HA HIS 16 HA HIS 16 2.350 5.079 5.079
111 1HB HIS 16 2HB HIS 16 2.504 2.294 2.294
112 2HB HIS 16 1HB HIS 16 3.135 3.740 3.740
113 HD1 HIS 16 HD1 HIS 16 5.327 2.110 2.110
114 HD2 HIS 16 HD2 HIS 16 4.010 4.094 4.094
115 HE1 HIS 16 HE1 HIS 16 7.208 2.139 2.139
116 H GLN 17 H GLN 17 -0.404 4.734 4.734
117 HA GLN 17 HA GLN 17 -1.609 4.922 4.922
118 1HB GLN 17 2HB GLN 17 -2.208 2.980 2.980
119 2HB GLN 17 1HB GLN 17 -3.013 4.167 4.167
120 1HG GLN 17 2HG GLN 17 -3.757 4.263 4.263
121 2HG GLN 17 1HG GLN 17 -4.184 2.770 2.770
122 1HE2 GLN 17 2HE2 GLN 17 -6.544 4.296 4.296
123 2HE2 GLN 17 1HE2 GLN 17 -5.342 3.095 3.095
124 H ASP 18 H ASP 18 -0.281 6.976 6.976
125 HA ASP 18 HA ASP 18 -2.447 8.921 8.921
126 1HB ASP 18 2HB ASP 18 -0.719 8.218 8.218
127 2HB ASP 18 1HB ASP 18 0.439 9.101 9.101
128 H VAL 19 H VAL 19 -1.761 8.144 8.144
129 HA VAL 19 HA VAL 19 -0.401 10.519 10.519
130 HB VAL 19 HB VAL 19 -0.437 7.693 7.693
131 1HG1 VAL 19 2HG1 VAL 19 1.132 10.128 10.128
132 2HG1 VAL 19 1HG1 VAL 19 1.431 8.506 8.506
133 3HG1 VAL 19 3HG1 VAL 19 -0.102 9.272 9.272
134 1HG2 VAL 19 1HG2 VAL 19 1.820 9.120 9.120
135 2HG2 VAL 19 3HG2 VAL 19 0.947 7.703 7.703
136 3HG2 VAL 19 2HG2 VAL 19 2.020 7.582 7.582
137 H ILE 20 H ILE 20 -1.193 10.669 10.669
138 HA ILE 20 HA ILE 20 -4.165 10.520 10.520
139 HB ILE 20 HB ILE 20 -3.143 12.735 12.735
140 1HG1 ILE 20 2HG1 ILE 20 -4.388 11.858 11.858
141 2HG1 ILE 20 1HG1 ILE 20 -5.295 12.158 12.158
142 1HG2 ILE 20 2HG2 ILE 20 -0.980 12.136 12.136
143 2HG2 ILE 20 1HG2 ILE 20 -1.733 11.690 11.690
144 3HG2 ILE 20 3HG2 ILE 20 -1.768 13.348 13.348
145 1HD1 ILE 20 1HD1 ILE 20 -4.463 14.501 14.501
146 2HD1 ILE 20 3HD1 ILE 20 -3.580 14.217 14.217
147 3HD1 ILE 20 2HD1 ILE 20 -5.331 14.134 14.134
148 H TRP 21 H TRP 21 -4.144 8.250 8.250
149 HA TRP 21 HA TRP 21 -3.502 7.539 7.539
150 1HB TRP 21 2HB TRP 21 -3.958 5.712 5.712
151 2HB TRP 21 1HB TRP 21 -3.537 5.176 5.176
152 HD1 TRP 21 HD1 TRP 21 -1.926 5.566 5.566
153 HE1 TRP 21 HE1 TRP 21 0.518 5.931 5.931
154 HE3 TRP 21 HE3 TRP 21 -1.819 6.776 6.776
155 HZ2 TRP 21 HZ2 TRP 21 2.418 6.657 6.657
156 HZ3 TRP 21 HZ3 TRP 21 0.291 7.308 7.308
157 HH2 TRP 21 HH2 TRP 21 2.417 7.248 7.248
Start of MODEL 10
1 1H CYS 1 2H CYS 1 6.754 2.022 2.022
2 2H CYS 1 1H CYS 1 5.816 2.979 2.979
3 3H CYS 1 3H CYS 1 5.987 3.419 3.419
4 HA CYS 1 HA CYS 1 4.147 2.322 2.322
5 1HB CYS 1 2HB CYS 1 4.366 1.202 1.202
6 2HB CYS 1 1HB CYS 1 2.925 1.129 1.129
7 H SER 2 H SER 2 3.168 -0.085 -0.085
8 HA SER 2 HA SER 2 5.372 -2.007 -2.007
9 1HB SER 2 2HB SER 2 4.156 -1.415 -1.415
10 2HB SER 2 1HB SER 2 2.605 -1.781 -1.781
11 HG SER 2 HG SER 2 4.404 -3.444 -3.444
12 H CYS 3 H CYS 3 5.529 -3.379 -3.379
13 HA CYS 3 HA CYS 3 3.046 -4.438 -4.438
14 1HB CYS 3 2HB CYS 3 5.883 -4.482 -4.482
15 2HB CYS 3 1HB CYS 3 4.520 -5.071 -5.071
16 H LYS 4 H LYS 4 4.063 -5.213 -5.213
17 HA LYS 4 HA LYS 4 5.665 -7.489 -7.489
18 1HB LYS 4 2HB LYS 4 4.336 -8.065 -8.065
19 2HB LYS 4 1HB LYS 4 4.919 -6.415 -6.415
20 1HG LYS 4 2HG LYS 4 2.626 -5.699 -5.699
21 2HG LYS 4 1HG LYS 4 2.074 -7.340 -7.340
22 1HD LYS 4 2HD LYS 4 3.197 -5.548 -5.548
23 2HD LYS 4 1HD LYS 4 1.494 -5.805 -5.805
24 1HE LYS 4 2HE LYS 4 2.069 -7.287 -7.287
25 2HE LYS 4 1HE LYS 4 1.888 -8.299 -8.299
26 1HZ LYS 4 2HZ LYS 4 4.547 -7.432 -7.432
27 2HZ LYS 4 1HZ LYS 4 4.096 -8.041 -8.041
28 3HZ LYS 4 3HZ LYS 4 3.930 -9.010 -9.010
29 H ASP 5 H ASP 5 5.530 -9.382 -9.382
30 HA ASP 5 HA ASP 5 4.823 -11.216 -11.216
31 1HB ASP 5 2HB ASP 5 4.025 -11.501 -11.501
32 2HB ASP 5 1HB ASP 5 2.432 -11.142 -11.142
33 H MET 6 H MET 6 4.245 -8.920 -8.920
34 HA MET 6 HA MET 6 1.660 -9.456 -9.456
35 1HB MET 6 2HB MET 6 2.954 -6.751 -6.751
36 2HB MET 6 1HB MET 6 1.554 -7.008 -7.008
37 1HG MET 6 2HG MET 6 1.064 -8.292 -8.292
38 2HG MET 6 1HG MET 6 1.661 -6.693 -6.693
39 1HE MET 6 2HE MET 6 0.288 -4.748 -4.748
40 2HE MET 6 1HE MET 6 0.395 -4.501 -4.501
41 3HE MET 6 3HE MET 6 -1.148 -4.395 -4.395
42 H THR 7 H THR 7 1.903 -8.092 -8.092
43 HA THR 7 HA THR 7 4.476 -8.934 -8.934
44 HB THR 7 HB THR 7 2.418 -10.195 -10.195
45 HG1 THR 7 HG1 THR 7 3.379 -10.149 -10.149
46 1HG2 THR 7 1HG2 THR 7 1.445 -7.465 -7.465
47 2HG2 THR 7 3HG2 THR 7 0.681 -9.021 -9.021
48 3HG2 THR 7 2HG2 THR 7 0.756 -8.392 -8.392
49 H ASP 8 H ASP 8 3.829 -7.313 -7.313
50 HA ASP 8 HA ASP 8 4.574 -4.663 -4.663
51 1HB ASP 8 2HB ASP 8 5.132 -6.126 -6.126
52 2HB ASP 8 1HB ASP 8 4.992 -4.389 -4.389
53 H LYS 9 H LYS 9 2.862 -5.397 -5.397
54 HA LYS 9 HA LYS 9 1.432 -3.081 -3.081
55 1HB LYS 9 2HB LYS 9 1.429 -5.147 -5.147
56 2HB LYS 9 1HB LYS 9 0.179 -5.783 -5.783
57 1HG LYS 9 2HG LYS 9 -1.273 -3.830 -3.830
58 2HG LYS 9 1HG LYS 9 0.000 -3.109 -3.109
59 1HD LYS 9 2HD LYS 9 -0.113 -5.122 -5.122
60 2HD LYS 9 1HD LYS 9 -1.479 -5.707 -5.707
61 1HE LYS 9 2HE LYS 9 -2.748 -3.634 -3.634
62 2HE LYS 9 1HE LYS 9 -1.365 -3.018 -3.018
63 1HZ LYS 9 3HZ LYS 9 -1.974 -5.593 -5.593
64 2HZ LYS 9 2HZ LYS 9 -3.404 -4.681 -4.681
65 3HZ LYS 9 1HZ LYS 9 -2.053 -4.119 -4.119
66 H GLU 10 H GLU 10 0.278 -5.854 -5.854
67 HA GLU 10 HA GLU 10 -2.165 -4.837 -4.837
68 1HB GLU 10 2HB GLU 10 -1.253 -7.207 -7.207
69 2HB GLU 10 1HB GLU 10 -0.258 -6.580 -6.580
70 1HG GLU 10 2HG GLU 10 -2.357 -5.742 -5.742
71 2HG GLU 10 1HG GLU 10 -3.299 -6.545 -6.545
72 H CYS 11 H CYS 11 0.894 -4.895 -4.895
73 HA CYS 11 HA CYS 11 0.148 -3.286 -3.286
74 1HB CYS 11 2HB CYS 11 2.359 -4.451 -4.451
75 2HB CYS 11 1HB CYS 11 2.894 -3.159 -3.159
76 H LEU 12 H LEU 12 1.486 -2.172 -2.172
77 HA LEU 12 HA LEU 12 1.761 0.560 0.560
78 1HB LEU 12 2HB LEU 12 0.728 -0.856 -0.856
79 2HB LEU 12 1HB LEU 12 1.206 0.806 0.806
80 HG LEU 12 HG LEU 12 2.848 -1.638 -1.638
81 1HD1 LEU 12 2HD1 LEU 12 2.734 0.106 0.106
82 2HD1 LEU 12 1HD1 LEU 12 3.339 1.285 1.285
83 3HD1 LEU 12 3HD1 LEU 12 4.384 -0.027 -0.027
84 1HD2 LEU 12 3HD2 LEU 12 3.862 0.548 0.548
85 2HD2 LEU 12 2HD2 LEU 12 3.484 -1.096 -1.096
86 3HD2 LEU 12 1HD2 LEU 12 4.807 -0.789 -0.789
87 H TYR 13 H TYR 13 -1.146 -1.139 -1.139
88 HA TYR 13 HA TYR 13 -2.903 1.004 1.004
89 1HB TYR 13 2HB TYR 13 -3.373 -1.458 -1.458
90 2HB TYR 13 1HB TYR 13 -3.682 -1.646 -1.646
91 HD1 TYR 13 HD1 TYR 13 -5.654 -0.537 -0.537
92 HD2 TYR 13 HD2 TYR 13 -4.912 -0.203 -0.203
93 HE1 TYR 13 HE1 TYR 13 -7.922 0.308 0.308
94 HE2 TYR 13 HE2 TYR 13 -7.187 0.646 0.646
95 HH TYR 13 HH TYR 13 -9.469 0.915 0.915
96 H PHE 14 H PHE 14 -1.592 -0.144 -0.144
97 HA PHE 14 HA PHE 14 -3.448 1.466 1.466
98 1HB PHE 14 2HB PHE 14 -1.327 -0.340 -0.340
99 2HB PHE 14 1HB PHE 14 -2.909 0.052 0.052
100 HD1 PHE 14 HD1 PHE 14 -4.794 -0.627 -0.627
101 HD2 PHE 14 HD2 PHE 14 -1.182 -2.578 -2.578
102 HE1 PHE 14 HE1 PHE 14 -5.614 -2.726 -2.726
103 HE2 PHE 14 HE2 PHE 14 -1.994 -4.667 -4.667
104 HZ PHE 14 HZ PHE 14 -4.203 -4.743 -4.743
105 H CYS 15 H CYS 15 -0.212 1.363 1.363
106 HA CYS 15 HA CYS 15 0.664 3.486 3.486
107 1HB CYS 15 2HB CYS 15 1.950 1.359 1.359
108 2HB CYS 15 1HB CYS 15 2.305 1.748 1.748
109 H HIS 16 H HIS 16 1.180 2.640 2.640
110 HA HIS 16 HA HIS 16 1.966 5.294 5.294
111 1HB HIS 16 2HB HIS 16 1.252 2.827 2.827
112 2HB HIS 16 1HB HIS 16 1.615 4.334 4.334
113 HD1 HIS 16 HD1 HIS 16 3.906 3.851 3.851
114 HD2 HIS 16 HD2 HIS 16 3.655 2.909 2.909
115 HE1 HIS 16 HE1 HIS 16 6.194 3.294 3.294
116 H GLN 17 H GLN 17 -0.997 3.498 3.498
117 HA GLN 17 HA GLN 17 -2.530 5.806 5.806
118 1HB GLN 17 2HB GLN 17 -2.409 3.028 3.028
119 2HB GLN 17 1HB GLN 17 -4.011 3.316 3.316
120 1HG GLN 17 2HG GLN 17 -4.268 5.240 5.240
121 2HG GLN 17 1HG GLN 17 -2.668 4.898 4.898
122 1HE2 GLN 17 2HE2 GLN 17 -3.918 2.488 2.488
123 2HE2 GLN 17 1HE2 GLN 17 -2.718 3.630 3.630
124 H ASP 18 H ASP 18 -1.887 6.081 6.081
125 HA ASP 18 HA ASP 18 -4.013 5.081 5.081
126 1HB ASP 18 2HB ASP 18 -1.630 4.913 4.913
127 2HB ASP 18 1HB ASP 18 -1.534 6.652 6.652
128 H VAL 19 H VAL 19 -2.522 8.130 8.130
129 HA VAL 19 HA VAL 19 -4.727 9.667 9.667
130 HB VAL 19 HB VAL 19 -3.328 11.620 11.620
131 1HG1 VAL 19 1HG1 VAL 19 -1.827 9.401 9.401
132 2HG1 VAL 19 3HG1 VAL 19 -1.432 11.110 11.110
133 3HG1 VAL 19 2HG1 VAL 19 -2.966 10.532 10.532
134 1HG2 VAL 19 2HG2 VAL 19 -2.263 10.711 10.711
135 2HG2 VAL 19 1HG2 VAL 19 -1.059 11.303 11.303
136 3HG2 VAL 19 3HG2 VAL 19 -1.333 9.579 9.579
137 H ILE 20 H ILE 20 -5.696 11.384 11.384
138 HA ILE 20 HA ILE 20 -6.089 10.679 10.679
139 HB ILE 20 HB ILE 20 -8.206 11.631 11.631
140 1HG1 ILE 20 2HG1 ILE 20 -7.695 8.825 8.825
141 2HG1 ILE 20 1HG1 ILE 20 -7.388 9.302 9.302
142 1HG2 ILE 20 2HG2 ILE 20 -8.611 12.209 12.209
143 2HG2 ILE 20 1HG2 ILE 20 -8.403 10.521 10.521
144 3HG2 ILE 20 3HG2 ILE 20 -9.767 11.025 11.025
145 1HD1 ILE 20 1HD1 ILE 20 -9.796 9.810 9.810
146 2HD1 ILE 20 3HD1 ILE 20 -10.132 9.245 9.245
147 3HD1 ILE 20 2HD1 ILE 20 -9.514 8.130 8.130
148 H TRP 21 H TRP 21 -4.386 12.308 12.308
149 HA TRP 21 HA TRP 21 -5.442 15.118 15.118
150 1HB TRP 21 2HB TRP 21 -2.513 14.277 14.277
151 2HB TRP 21 1HB TRP 21 -3.132 15.885 15.885
152 HD1 TRP 21 HD1 TRP 21 -1.294 13.601 13.601
153 HE1 TRP 21 HE1 TRP 21 -1.968 13.532 13.532
154 HE3 TRP 21 HE3 TRP 21 -5.861 15.826 15.826
155 HZ2 TRP 21 HZ2 TRP 21 -4.105 14.272 14.272
156 HZ3 TRP 21 HZ3 TRP 21 -7.185 16.125 16.125
157 HH2 TRP 21 HH2 TRP 21 -6.322 15.354 15.354
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