Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
22301 | 2jni RC | 15115 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA ARG 1 HA ARG 1 -16.298 1.520 1.131
2 HE ARG 1 HE ARG 1 -18.829 1.875 3.825
3 H1 ARG 1 1H ARG 1 -17.031 2.507 -0.819
4 H2 ARG 1 2H ARG 1 -15.492 1.925 -0.991
5 H3 ARG 1 3H ARG 1 -16.761 1.125 -1.689
6 HB2 ARG 1 1HB ARG 1 -18.707 1.403 0.645
7 HB3 ARG 1 2HB ARG 1 -18.484 -0.018 -0.356
8 HG2 ARG 1 1HG ARG 1 -18.534 -1.406 1.444
9 HG3 ARG 1 2HG ARG 1 -17.336 -0.456 2.300
10 HD2 ARG 1 1HD ARG 1 -20.032 0.814 2.128
11 HD3 ARG 1 2HD ARG 1 -19.983 -0.671 3.057
12 HH11 ARG 1 1HH1 ARG 1 -18.369 -1.623 4.145
13 HH12 ARG 1 2HH1 ARG 1 -17.496 -1.497 5.636
14 HH21 ARG 1 1HH2 ARG 1 -17.709 2.032 5.737
15 HH22 ARG 1 2HH2 ARG 1 -17.102 0.668 6.586
16 H TRP 2 H TRP 2 -14.123 0.679 -0.263
17 HA TRP 2 HA TRP 2 -13.930 -2.099 0.524
18 HD1 TRP 2 HD1 TRP 2 -11.218 -2.930 -2.779
19 HE1 TRP 2 HE1 TRP 2 -10.020 -1.324 -4.496
20 HE3 TRP 2 HE3 TRP 2 -14.638 0.819 -2.460
21 HZ2 TRP 2 HZ2 TRP 2 -10.624 1.276 -5.506
22 HZ3 TRP 2 HZ3 TRP 2 -14.259 2.857 -3.845
23 HH2 TRP 2 HH2 TRP 2 -12.335 3.120 -5.330
24 HB2 TRP 2 1HB TRP 2 -13.510 -3.047 -1.489
25 HB3 TRP 2 2HB TRP 2 -14.706 -1.857 -1.966
26 H CYS 3 H CYS 3 -11.561 -2.768 0.488
27 HA CYS 3 HA CYS 3 -9.786 -0.456 0.464
28 HB2 CYS 3 1HB CYS 3 -9.958 -2.449 2.734
29 HB3 CYS 3 2HB CYS 3 -8.724 -1.217 2.555
30 H VAL 4 H VAL 4 -7.594 -1.032 -0.107
31 HA VAL 4 HA VAL 4 -7.005 -3.832 -0.516
32 HB VAL 4 HB VAL 4 -6.573 -3.663 -2.845
33 HG11 VAL 4 1HG1 VAL 4 -8.799 -3.332 -3.754
34 HG12 VAL 4 2HG1 VAL 4 -8.919 -4.110 -2.158
35 HG13 VAL 4 3HG1 VAL 4 -9.275 -2.375 -2.332
36 HG21 VAL 4 3HG2 VAL 4 -6.266 -0.916 -2.364
37 HG22 VAL 4 1HG2 VAL 4 -6.111 -1.761 -3.923
38 HG23 VAL 4 2HG2 VAL 4 -7.670 -1.043 -3.450
39 H TYR 5 H TYR 5 -4.711 -4.212 -0.783
40 HA TYR 5 HA TYR 5 -3.158 -2.009 0.324
41 HD1 TYR 5 HD2 TYR 5 -3.812 -3.389 2.703
42 HD2 TYR 5 HD1 TYR 5 -3.540 -6.625 -0.082
43 HE1 TYR 5 HE2 TYR 5 -5.493 -4.719 4.072
44 HE2 TYR 5 HE1 TYR 5 -5.221 -7.944 1.296
45 HH TYR 5 HH TYR 5 -5.888 -7.415 4.310
46 HB2 TYR 5 1HB TYR 5 -2.132 -4.792 -0.346
47 HB3 TYR 5 2HB TYR 5 -1.756 -3.812 1.057
48 H ALA 6 H ALA 6 -0.965 -1.558 -0.541
49 HA ALA 6 HA ALA 6 -0.499 -2.401 -3.270
50 HB1 ALA 6 3HB ALA 6 -1.359 0.365 -2.463
51 HB2 ALA 6 1HB ALA 6 -0.146 0.187 -3.754
52 HB3 ALA 6 2HB ALA 6 -1.750 -0.565 -3.930
53 H TYR 7 H TYR 7 1.709 -1.711 -4.003
54 HA TYR 7 HA TYR 7 3.454 -1.420 -1.654
55 HD1 TYR 7 HD2 TYR 7 3.314 -3.809 -1.068
56 HD2 TYR 7 HD1 TYR 7 3.103 -4.354 -5.306
57 HE1 TYR 7 HE2 TYR 7 2.093 -6.013 -0.731
58 HE2 TYR 7 HE1 TYR 7 1.882 -6.556 -4.954
59 HH TYR 7 HH TYR 7 1.499 -7.911 -1.740
60 HB2 TYR 7 1HB TYR 7 4.093 -2.434 -4.483
61 HB3 TYR 7 2HB TYR 7 5.030 -2.727 -3.032
62 H VAL 8 H VAL 8 4.941 0.236 -1.569
63 HA VAL 8 HA VAL 8 5.100 1.927 -3.968
64 HB VAL 8 HB VAL 8 3.767 3.153 -2.510
65 HG11 VAL 8 1HG1 VAL 8 5.610 2.463 -0.197
66 HG12 VAL 8 2HG1 VAL 8 4.082 3.373 -0.121
67 HG13 VAL 8 3HG1 VAL 8 4.068 1.645 -0.546
68 HG21 VAL 8 3HG2 VAL 8 6.617 4.020 -1.912
69 HG22 VAL 8 1HG2 VAL 8 5.669 4.458 -3.353
70 HG23 VAL 8 2HG2 VAL 8 5.158 5.027 -1.746
71 H ARG 9 H ARG 9 7.159 3.000 -4.301
72 HA ARG 9 HA ARG 9 9.280 1.377 -3.253
73 HE ARG 9 HE ARG 9 12.503 1.268 -5.328
74 HB2 ARG 9 1HB ARG 9 9.667 1.682 -5.533
75 HB3 ARG 9 2HB ARG 9 8.912 3.263 -5.561
76 HG2 ARG 9 1HG ARG 9 10.855 4.353 -4.724
77 HG3 ARG 9 2HG ARG 9 11.525 2.871 -4.071
78 HD2 ARG 9 1HD ARG 9 11.096 3.180 -7.066
79 HD3 ARG 9 2HD ARG 9 12.531 3.833 -6.300
80 HH11 ARG 9 1HH1 ARG 9 12.201 2.550 -8.617
81 HH12 ARG 9 2HH1 ARG 9 12.902 1.151 -9.360
82 HH21 ARG 9 1HH2 ARG 9 13.401 -0.524 -6.284
83 HH22 ARG 9 2HH2 ARG 9 13.616 -0.676 -7.982
84 H ILE 10 H ILE 10 10.086 2.010 -1.265
85 HA ILE 10 HA ILE 10 10.804 4.829 -0.991
86 HB ILE 10 HB ILE 10 9.096 3.216 0.885
87 HG12 ILE 10 1HG1 ILE 10 8.531 5.166 -1.036
88 HG13 ILE 10 2HG1 ILE 10 7.454 4.549 0.202
89 HG21 ILE 10 1HG2 ILE 10 9.455 4.838 2.628
90 HG22 ILE 10 2HG2 ILE 10 11.021 4.140 2.150
91 HG23 ILE 10 3HG2 ILE 10 10.565 5.769 1.594
92 HD11 ILE 10 3HD1 ILE 10 8.308 6.284 1.798
93 HD12 ILE 10 1HD1 ILE 10 9.344 6.929 0.503
94 HD13 ILE 10 2HD1 ILE 10 7.573 7.002 0.345
95 H ARG 11 H ARG 11 12.822 5.137 -0.122
96 HA ARG 11 HA ARG 11 14.790 4.680 0.641
97 HE ARG 11 HE ARG 11 14.255 4.676 5.592
98 HB2 ARG 11 1HB ARG 11 13.236 2.521 2.115
99 HB3 ARG 11 2HB ARG 11 14.978 2.612 2.284
100 HG2 ARG 11 1HG ARG 11 14.884 4.501 3.579
101 HG3 ARG 11 2HG ARG 11 13.650 5.244 2.580
102 HD2 ARG 11 1HD ARG 11 11.990 4.591 3.997
103 HD3 ARG 11 2HD ARG 11 12.545 2.929 3.988
104 HH11 ARG 11 1HH1 ARG 11 11.304 2.716 5.638
105 HH12 ARG 11 2HH1 ARG 11 11.329 2.496 7.356
106 HH21 ARG 11 1HH2 ARG 11 14.283 4.391 7.795
107 HH22 ARG 11 2HH2 ARG 11 13.093 3.487 8.641
108 H GLY 12 H GLY 12 13.998 3.618 -1.941
109 HA3 GLY 12 2HA GLY 12 16.160 1.923 -2.508
110 H VAL 13 H VAL 13 13.032 1.266 -1.114
111 HA VAL 13 HA VAL 13 13.251 -1.548 -1.915
112 HB VAL 13 HB VAL 13 12.453 -0.702 0.855
113 HG11 VAL 13 1HG1 VAL 13 13.714 -3.110 1.056
114 HG12 VAL 13 2HG1 VAL 13 11.962 -2.908 0.815
115 HG13 VAL 13 3HG1 VAL 13 13.021 -3.227 -0.579
116 HG21 VAL 13 3HG2 VAL 13 15.145 -0.601 -0.321
117 HG22 VAL 13 1HG2 VAL 13 14.525 0.099 1.193
118 HG23 VAL 13 2HG2 VAL 13 15.040 -1.604 1.146
119 H LEU 14 H LEU 14 11.140 -2.748 -1.547
120 HA LEU 14 HA LEU 14 8.956 -0.922 -2.225
121 HG LEU 14 HG LEU 14 6.999 -3.414 -3.700
122 HB2 LEU 14 1HB LEU 14 9.816 -2.923 -3.687
123 HB3 LEU 14 2HB LEU 14 8.856 -3.891 -2.585
124 HD11 LEU 14 1HD1 LEU 14 6.900 -1.355 -2.279
125 HD12 LEU 14 2HD1 LEU 14 7.633 -0.455 -3.629
126 HD13 LEU 14 3HD1 LEU 14 6.043 -1.228 -3.834
127 HD21 LEU 14 3HD2 LEU 14 8.784 -1.769 -5.515
128 HD22 LEU 14 1HD2 LEU 14 8.431 -3.508 -5.657
129 HD23 LEU 14 2HD2 LEU 14 7.134 -2.314 -5.901
130 H VAL 15 H VAL 15 7.607 -0.382 -0.604
131 HA VAL 15 HA VAL 15 7.313 -2.333 1.571
132 HB VAL 15 HB VAL 15 6.501 0.520 1.847
133 HG11 VAL 15 1HG1 VAL 15 7.299 -1.758 3.570
134 HG12 VAL 15 2HG1 VAL 15 7.864 -0.154 4.096
135 HG13 VAL 15 3HG1 VAL 15 6.125 -0.451 3.859
136 HG21 VAL 15 3HG2 VAL 15 9.397 -0.392 1.922
137 HG22 VAL 15 1HG2 VAL 15 8.671 0.708 0.726
138 HG23 VAL 15 2HG2 VAL 15 8.792 1.202 2.432
139 H ARG 16 H ARG 16 5.239 -2.968 2.233
140 HA ARG 16 HA ARG 16 3.214 -2.332 0.267
141 HE ARG 16 HE ARG 16 4.412 -7.662 2.503
142 HB2 ARG 16 1HB ARG 16 2.794 -4.404 2.425
143 HB3 ARG 16 2HB ARG 16 2.228 -4.413 0.767
144 HG2 ARG 16 1HG ARG 16 4.717 -4.642 0.074
145 HG3 ARG 16 2HG ARG 16 5.054 -4.967 1.763
146 HD2 ARG 16 1HD ARG 16 2.830 -6.625 1.088
147 HD3 ARG 16 2HD ARG 16 3.945 -6.757 -0.257
148 HH11 ARG 16 1HH1 ARG 16 5.913 -6.868 -0.607
149 HH12 ARG 16 2HH1 ARG 16 7.340 -7.798 -0.296
150 HH21 ARG 16 1HH2 ARG 16 6.245 -8.854 2.897
151 HH22 ARG 16 2HH2 ARG 16 7.544 -8.979 1.780
152 H TYR 17 H TYR 17 1.064 -1.634 0.930
153 HA TYR 17 HA TYR 17 0.694 -1.023 3.746
154 HD1 TYR 17 HD2 TYR 17 2.768 0.620 0.570
155 HD2 TYR 17 HD1 TYR 17 -1.327 1.746 1.084
156 HE1 TYR 17 HE2 TYR 17 2.632 1.268 -1.884
157 HE2 TYR 17 HE1 TYR 17 -1.450 2.391 -1.373
158 HH TYR 17 HH TYR 17 1.414 2.501 -3.352
159 HB2 TYR 17 1HB TYR 17 0.103 1.370 3.009
160 HB3 TYR 17 2HB TYR 17 1.803 0.990 2.819
161 H ARG 18 H ARG 18 -1.589 -0.126 4.119
162 HA ARG 18 HA ARG 18 -3.328 -1.504 2.246
163 HE ARG 18 HE ARG 18 -5.862 -2.931 5.685
164 HB2 ARG 18 1HB ARG 18 -4.170 -0.565 5.012
165 HB3 ARG 18 2HB ARG 18 -4.846 -1.871 4.059
166 HG2 ARG 18 1HG ARG 18 -2.382 -2.890 4.279
167 HG3 ARG 18 2HG ARG 18 -2.287 -1.825 5.667
168 HD2 ARG 18 1HD ARG 18 -3.953 -4.278 5.269
169 HD3 ARG 18 2HD ARG 18 -3.200 -3.670 6.730
170 HH11 ARG 18 1HH1 ARG 18 -3.291 -2.192 8.009
171 HH12 ARG 18 2HH1 ARG 18 -4.329 -1.283 9.056
172 HH21 ARG 18 1HH2 ARG 18 -7.190 -1.766 7.032
173 HH22 ARG 18 2HH2 ARG 18 -6.642 -1.027 8.483
174 H ARG 19 H ARG 19 -5.093 -0.396 1.281
175 HA ARG 19 HA ARG 19 -5.271 2.419 1.999
176 HE ARG 19 HE ARG 19 -5.379 4.666 -0.426
177 HB2 ARG 19 1HB ARG 19 -5.223 1.112 -0.753
178 HB3 ARG 19 2HB ARG 19 -5.935 2.697 -0.528
179 HG2 ARG 19 1HG ARG 19 -3.588 3.122 0.771
180 HG3 ARG 19 2HG ARG 19 -3.056 1.859 -0.321
181 HD2 ARG 19 1HD ARG 19 -2.684 3.994 -1.428
182 HD3 ARG 19 2HD ARG 19 -4.004 3.193 -2.257
183 HH11 ARG 19 1HH1 ARG 19 -2.726 5.573 -2.592
184 HH12 ARG 19 2HH1 ARG 19 -3.232 7.225 -2.723
185 HH21 ARG 19 1HH2 ARG 19 -6.025 6.785 -0.596
186 HH22 ARG 19 2HH2 ARG 19 -5.188 7.950 -1.542
187 H CYS 20 H CYS 20 -7.461 3.407 1.359
188 HA CYS 20 HA CYS 20 -9.548 1.375 1.201
189 HB2 CYS 20 1HB CYS 20 -9.218 3.462 3.328
190 HB3 CYS 20 2HB CYS 20 -10.828 2.980 2.832
191 H TRP 21 H TRP 21 -11.684 2.428 0.503
192 HA TRP 21 HA TRP 21 -11.196 4.129 -1.695
193 HD1 TRP 21 1HD TRP 21 -15.261 5.415 -1.517
194 HE1 TRP 21 HE1 TRP 21 -17.031 5.557 0.435
195 HE3 TRP 21 HE3 TRP 21 -13.221 1.712 1.308
196 HZ2 TRP 21 HZ2 TRP 21 -17.371 4.136 2.887
197 HZ3 TRP 21 HZ3 TRP 21 -14.334 1.151 3.467
198 HH2 TRP 21 2HH TRP 21 -16.339 2.296 4.268
199 HB2 TRP 21 1HB TRP 21 -13.346 3.721 -2.277
200 HB3 TRP 21 2HB TRP 21 -13.057 2.344 -1.232
Start of MODEL 2
1 HA ARG 1 HA ARG 1 -13.863 2.579 -2.030
2 HE ARG 1 HE ARG 1 -17.709 6.157 -0.741
3 H1 ARG 1 1H ARG 1 -15.654 2.563 -3.480
4 H2 ARG 1 2H ARG 1 -15.024 1.044 -3.299
5 H3 ARG 1 3H ARG 1 -16.456 1.436 -2.569
6 HB2 ARG 1 1HB ARG 1 -16.646 3.214 -1.044
7 HB3 ARG 1 2HB ARG 1 -15.329 3.373 0.102
8 HG2 ARG 1 1HG ARG 1 -14.812 5.385 -0.799
9 HG3 ARG 1 2HG ARG 1 -14.401 4.588 -2.305
10 HD2 ARG 1 1HD ARG 1 -16.116 5.806 -3.204
11 HD3 ARG 1 2HD ARG 1 -17.165 4.615 -2.462
12 HH11 ARG 1 1HH1 ARG 1 -15.153 7.464 -2.818
13 HH12 ARG 1 2HH1 ARG 1 -15.290 9.070 -2.186
14 HH21 ARG 1 1HH2 ARG 1 -17.880 8.219 0.067
15 HH22 ARG 1 2HH2 ARG 1 -16.905 9.525 -0.474
16 H TRP 2 H TRP 2 -12.722 0.756 -1.323
17 HA TRP 2 HA TRP 2 -13.715 -0.493 1.094
18 HD1 TRP 2 HD1 TRP 2 -11.414 -3.724 -1.120
19 HE1 TRP 2 HE1 TRP 2 -10.725 -3.858 -3.664
20 HE3 TRP 2 HE3 TRP 2 -14.915 -0.434 -2.784
21 HZ2 TRP 2 HZ2 TRP 2 -11.699 -2.601 -6.033
22 HZ3 TRP 2 HZ3 TRP 2 -14.978 0.058 -5.227
23 HH2 TRP 2 HH2 TRP 2 -13.445 -0.966 -6.832
24 HB2 TRP 2 1HB TRP 2 -13.463 -2.754 0.284
25 HB3 TRP 2 2HB TRP 2 -14.698 -1.901 -0.620
26 H CYS 3 H CYS 3 -11.823 -2.217 1.728
27 HA CYS 3 HA CYS 3 -9.417 -0.622 1.604
28 HB2 CYS 3 1HB CYS 3 -10.056 -3.116 3.194
29 HB3 CYS 3 2HB CYS 3 -8.580 -2.180 3.322
30 H VAL 4 H VAL 4 -7.449 -1.369 0.662
31 HA VAL 4 HA VAL 4 -7.404 -4.020 -0.490
32 HB VAL 4 HB VAL 4 -6.941 -3.238 -2.736
33 HG11 VAL 4 1HG1 VAL 4 -9.184 -2.567 -3.380
34 HG12 VAL 4 2HG1 VAL 4 -9.276 -3.765 -2.067
35 HG13 VAL 4 3HG1 VAL 4 -9.539 -2.040 -1.718
36 HG21 VAL 4 3HG2 VAL 4 -6.984 -0.990 -3.434
37 HG22 VAL 4 1HG2 VAL 4 -7.753 -0.441 -1.925
38 HG23 VAL 4 2HG2 VAL 4 -6.053 -0.968 -1.917
39 H TYR 5 H TYR 5 -5.205 -4.606 -1.222
40 HA TYR 5 HA TYR 5 -3.241 -3.164 0.375
41 HD1 TYR 5 HD1 TYR 5 -4.826 -4.587 1.583
42 HD2 TYR 5 HD2 TYR 5 -3.561 -7.847 -0.883
43 HE1 TYR 5 HE1 TYR 5 -6.618 -6.070 2.611
44 HE2 TYR 5 HE2 TYR 5 -5.357 -9.318 0.153
45 HH TYR 5 HH TYR 5 -6.792 -8.722 2.929
46 HB2 TYR 5 1HB TYR 5 -2.738 -5.649 -1.304
47 HB3 TYR 5 2HB TYR 5 -2.119 -5.284 0.294
48 H ALA 6 H ALA 6 -1.386 -2.192 -0.462
49 HA ALA 6 HA ALA 6 -0.864 -2.437 -3.297
50 HB1 ALA 6 3HB ALA 6 -2.300 -0.643 -3.600
51 HB2 ALA 6 1HB ALA 6 -1.992 0.018 -1.977
52 HB3 ALA 6 2HB ALA 6 -0.780 0.219 -3.264
53 H TYR 7 H TYR 7 1.268 -1.484 -3.861
54 HA TYR 7 HA TYR 7 2.958 -1.231 -1.463
55 HD1 TYR 7 HD2 TYR 7 3.756 -4.065 -1.023
56 HD2 TYR 7 HD1 TYR 7 2.003 -3.777 -4.915
57 HE1 TYR 7 HE2 TYR 7 2.631 -6.320 -0.691
58 HE2 TYR 7 HE1 TYR 7 0.883 -6.033 -4.569
59 HH TYR 7 HH TYR 7 1.570 -7.966 -1.700
60 HB2 TYR 7 1HB TYR 7 3.718 -2.246 -4.261
61 HB3 TYR 7 2HB TYR 7 4.628 -2.477 -2.782
62 H VAL 8 H VAL 8 4.955 0.072 -1.783
63 HA VAL 8 HA VAL 8 4.867 1.876 -4.056
64 HB VAL 8 HB VAL 8 3.628 3.279 -2.785
65 HG11 VAL 8 1HG1 VAL 8 3.384 1.683 -0.905
66 HG12 VAL 8 2HG1 VAL 8 4.941 2.243 -0.249
67 HG13 VAL 8 3HG1 VAL 8 3.563 3.365 -0.353
68 HG21 VAL 8 3HG2 VAL 8 5.707 4.460 -3.193
69 HG22 VAL 8 1HG2 VAL 8 5.069 4.922 -1.597
70 HG23 VAL 8 2HG2 VAL 8 6.426 3.776 -1.716
71 H ARG 9 H ARG 9 6.915 3.090 -4.291
72 HA ARG 9 HA ARG 9 9.052 1.466 -3.253
73 HE ARG 9 HE ARG 9 10.719 5.337 -6.542
74 HB2 ARG 9 1HB ARG 9 9.432 1.780 -5.539
75 HB3 ARG 9 2HB ARG 9 8.693 3.368 -5.556
76 HG2 ARG 9 1HG ARG 9 10.648 4.391 -4.541
77 HG3 ARG 9 2HG ARG 9 11.348 2.831 -4.157
78 HD2 ARG 9 1HD ARG 9 12.485 3.017 -6.125
79 HD3 ARG 9 2HD ARG 9 10.968 2.637 -6.915
80 HH11 ARG 9 1HH1 ARG 9 13.360 3.387 -7.876
81 HH12 ARG 9 2HH1 ARG 9 13.921 4.643 -8.928
82 HH21 ARG 9 1HH2 ARG 9 11.443 6.945 -7.893
83 HH22 ARG 9 2HH2 ARG 9 12.789 6.756 -8.944
84 H ILE 10 H ILE 10 9.904 2.111 -1.294
85 HA ILE 10 HA ILE 10 10.487 4.959 -0.989
86 HB ILE 10 HB ILE 10 8.966 3.216 0.938
87 HG12 ILE 10 1HG1 ILE 10 8.145 5.060 -0.988
88 HG13 ILE 10 2HG1 ILE 10 7.183 4.386 0.311
89 HG21 ILE 10 1HG2 ILE 10 10.838 4.333 2.120
90 HG22 ILE 10 2HG2 ILE 10 10.222 5.903 1.553
91 HG23 ILE 10 3HG2 ILE 10 9.234 4.900 2.641
92 HD11 ILE 10 3HD1 ILE 10 8.866 6.928 0.473
93 HD12 ILE 10 1HD1 ILE 10 7.090 6.844 0.387
94 HD13 ILE 10 2HD1 ILE 10 7.942 6.231 1.825
95 H ARG 11 H ARG 11 12.519 5.355 -0.205
96 HA ARG 11 HA ARG 11 14.536 4.992 0.476
97 HE ARG 11 HE ARG 11 16.813 3.394 3.181
98 HB2 ARG 11 1HB ARG 11 13.049 2.900 2.064
99 HB3 ARG 11 2HB ARG 11 14.799 2.810 2.062
100 HG2 ARG 11 1HG ARG 11 14.241 5.554 2.464
101 HG3 ARG 11 2HG ARG 11 13.041 4.722 3.432
102 HD2 ARG 11 1HD ARG 11 15.041 5.080 4.800
103 HD3 ARG 11 2HD ARG 11 14.866 3.362 4.503
104 HH11 ARG 11 1HH1 ARG 11 15.762 6.718 3.815
105 HH12 ARG 11 2HH1 ARG 11 17.210 7.428 3.181
106 HH21 ARG 11 1HH2 ARG 11 18.668 4.309 2.370
107 HH22 ARG 11 2HH2 ARG 11 18.937 6.006 2.323
108 H GLY 12 H GLY 12 13.727 3.904 -2.076
109 HA3 GLY 12 2HA GLY 12 15.933 2.303 -2.717
110 H VAL 13 H VAL 13 12.874 1.503 -1.229
111 HA VAL 13 HA VAL 13 13.222 -1.305 -2.009
112 HB VAL 13 HB VAL 13 12.459 -0.443 0.771
113 HG11 VAL 13 1HG1 VAL 13 13.081 -2.985 -0.629
114 HG12 VAL 13 2HG1 VAL 13 13.749 -2.813 1.011
115 HG13 VAL 13 3HG1 VAL 13 11.995 -2.663 0.744
116 HG21 VAL 13 3HG2 VAL 13 15.084 -1.302 0.968
117 HG22 VAL 13 1HG2 VAL 13 15.101 -0.273 -0.485
118 HG23 VAL 13 2HG2 VAL 13 14.523 0.385 1.064
119 H LEU 14 H LEU 14 11.201 -2.606 -1.688
120 HA LEU 14 HA LEU 14 8.910 -0.907 -2.318
121 HG LEU 14 HG LEU 14 7.061 -3.561 -3.675
122 HB2 LEU 14 1HB LEU 14 9.836 -2.877 -3.762
123 HB3 LEU 14 2HB LEU 14 8.981 -3.888 -2.614
124 HD11 LEU 14 1HD1 LEU 14 7.496 -0.565 -3.662
125 HD12 LEU 14 2HD1 LEU 14 5.956 -1.443 -3.824
126 HD13 LEU 14 3HD1 LEU 14 6.852 -1.494 -2.287
127 HD21 LEU 14 3HD2 LEU 14 8.436 -3.592 -5.675
128 HD22 LEU 14 1HD2 LEU 14 7.048 -2.499 -5.897
129 HD23 LEU 14 2HD2 LEU 14 8.666 -1.829 -5.575
130 H VAL 15 H VAL 15 7.594 -0.378 -0.665
131 HA VAL 15 HA VAL 15 7.451 -2.266 1.573
132 HB VAL 15 HB VAL 15 6.382 0.512 1.717
133 HG11 VAL 15 1HG1 VAL 15 7.068 -1.630 3.518
134 HG12 VAL 15 2HG1 VAL 15 8.011 -0.177 3.929
135 HG13 VAL 15 3HG1 VAL 15 6.235 -0.094 3.858
136 HG21 VAL 15 3HG2 VAL 15 8.727 1.271 2.395
137 HG22 VAL 15 1HG2 VAL 15 9.322 -0.187 1.566
138 HG23 VAL 15 2HG2 VAL 15 8.425 1.051 0.655
139 H ARG 16 H ARG 16 5.436 -3.018 2.325
140 HA ARG 16 HA ARG 16 3.347 -2.680 0.348
141 HE ARG 16 HE ARG 16 5.978 -7.129 2.261
142 HB2 ARG 16 1HB ARG 16 3.152 -4.680 2.606
143 HB3 ARG 16 2HB ARG 16 2.556 -4.814 0.963
144 HG2 ARG 16 1HG ARG 16 5.088 -4.795 0.265
145 HG3 ARG 16 2HG ARG 16 5.411 -5.135 1.954
146 HD2 ARG 16 1HD ARG 16 3.299 -6.908 1.109
147 HD3 ARG 16 2HD ARG 16 4.555 -6.970 -0.112
148 HH11 ARG 16 1HH1 ARG 16 3.273 -8.973 0.906
149 HH12 ARG 16 2HH1 ARG 16 3.702 -10.439 1.722
150 HH21 ARG 16 1HH2 ARG 16 6.525 -9.012 3.306
151 HH22 ARG 16 2HH2 ARG 16 5.630 -10.469 3.146
152 H TYR 17 H TYR 17 1.200 -2.031 0.967
153 HA TYR 17 HA TYR 17 0.718 -1.446 3.765
154 HD1 TYR 17 HD2 TYR 17 -1.605 1.374 1.883
155 HD2 TYR 17 HD1 TYR 17 2.203 0.474 0.153
156 HE1 TYR 17 HE2 TYR 17 -2.417 2.232 -0.369
157 HE2 TYR 17 HE1 TYR 17 1.378 1.335 -2.093
158 HH TYR 17 HH TYR 17 -1.124 3.264 -2.473
159 HB2 TYR 17 1HB TYR 17 0.361 0.934 3.292
160 HB3 TYR 17 2HB TYR 17 1.911 0.537 2.576
161 H ARG 18 H ARG 18 -1.610 -0.418 3.950
162 HA ARG 18 HA ARG 18 -3.259 -1.483 1.817
163 HE ARG 18 HE ARG 18 -4.575 -3.585 6.186
164 HB2 ARG 18 1HB ARG 18 -3.790 -1.929 4.798
165 HB3 ARG 18 2HB ARG 18 -4.821 -2.472 3.489
166 HG2 ARG 18 1HG ARG 18 -3.090 -3.985 2.655
167 HG3 ARG 18 2HG ARG 18 -1.903 -3.323 3.761
168 HD2 ARG 18 1HD ARG 18 -4.279 -5.101 4.383
169 HD3 ARG 18 2HD ARG 18 -2.602 -5.322 4.838
170 HH11 ARG 18 1HH1 ARG 18 -1.166 -4.499 5.876
171 HH12 ARG 18 2HH1 ARG 18 -0.722 -3.845 7.417
172 HH21 ARG 18 1HH2 ARG 18 -4.002 -2.748 8.162
173 HH22 ARG 18 2HH2 ARG 18 -2.399 -2.805 8.778
174 H ARG 19 H ARG 19 -4.897 -0.053 1.235
175 HA ARG 19 HA ARG 19 -5.557 1.982 3.199
176 HE ARG 19 HE ARG 19 -5.563 5.152 2.366
177 HB2 ARG 19 1HB ARG 19 -4.837 2.358 0.262
178 HB3 ARG 19 2HB ARG 19 -5.796 3.553 1.113
179 HG2 ARG 19 1HG ARG 19 -3.786 3.265 2.926
180 HG3 ARG 19 2HG ARG 19 -2.905 2.824 1.477
181 HD2 ARG 19 1HD ARG 19 -2.670 5.229 1.788
182 HD3 ARG 19 2HD ARG 19 -3.694 4.971 0.390
183 HH11 ARG 19 1HH1 ARG 19 -2.757 7.190 1.640
184 HH12 ARG 19 2HH1 ARG 19 -3.477 8.627 2.285
185 HH21 ARG 19 1HH2 ARG 19 -6.483 6.998 3.193
186 HH22 ARG 19 2HH2 ARG 19 -5.687 8.520 3.208
187 H CYS 20 H CYS 20 -7.726 3.076 2.678
188 HA CYS 20 HA CYS 20 -9.428 1.264 1.131
189 HB2 CYS 20 1HB CYS 20 -10.463 2.650 3.580
190 HB3 CYS 20 2HB CYS 20 -11.102 1.251 2.741
191 H TRP 21 H TRP 21 -10.699 2.338 -0.377
192 HA TRP 21 HA TRP 21 -10.830 5.265 -0.106
193 HD1 TRP 21 1HD TRP 21 -12.547 5.148 -3.839
194 HE1 TRP 21 HE1 TRP 21 -13.183 3.315 -5.627
195 HE3 TRP 21 HE3 TRP 21 -9.003 1.788 -2.425
196 HZ2 TRP 21 HZ2 TRP 21 -12.155 0.723 -6.236
197 HZ3 TRP 21 HZ3 TRP 21 -8.886 -0.370 -3.668
198 HH2 TRP 21 2HH TRP 21 -10.388 -0.926 -5.514
199 HB2 TRP 21 1HB TRP 21 -10.302 5.591 -2.286
200 HB3 TRP 21 2HB TRP 21 -9.318 4.182 -1.944
Start of MODEL 3
1 HA ARG 1 HA ARG 1 -13.908 2.561 -2.057
2 HE ARG 1 HE ARG 1 -12.706 6.542 -0.769
3 H1 ARG 1 1H ARG 1 -15.768 2.566 -3.418
4 H2 ARG 1 2H ARG 1 -15.177 1.033 -3.228
5 H3 ARG 1 3H ARG 1 -16.558 1.489 -2.440
6 HB2 ARG 1 1HB ARG 1 -16.617 3.305 -0.945
7 HB3 ARG 1 2HB ARG 1 -15.234 3.463 0.118
8 HG2 ARG 1 1HG ARG 1 -14.377 4.587 -2.338
9 HG3 ARG 1 2HG ARG 1 -16.028 5.144 -2.150
10 HD2 ARG 1 1HD ARG 1 -15.538 6.415 -0.272
11 HD3 ARG 1 2HD ARG 1 -14.337 5.284 0.318
12 HH11 ARG 1 1HH1 ARG 1 -15.806 7.129 -2.383
13 HH12 ARG 1 2HH1 ARG 1 -15.157 8.314 -3.468
14 HH21 ARG 1 1HH2 ARG 1 -11.879 8.061 -2.163
15 HH22 ARG 1 2HH2 ARG 1 -12.830 8.871 -3.343
16 H TRP 2 H TRP 2 -12.756 0.782 -1.295
17 HA TRP 2 HA TRP 2 -13.712 -0.412 1.162
18 HD1 TRP 2 HD1 TRP 2 -11.502 -3.750 -1.011
19 HE1 TRP 2 HE1 TRP 2 -10.831 -3.934 -3.556
20 HE3 TRP 2 HE3 TRP 2 -14.912 -0.375 -2.696
21 HZ2 TRP 2 HZ2 TRP 2 -11.780 -2.676 -5.935
22 HZ3 TRP 2 HZ3 TRP 2 -14.974 0.089 -5.144
23 HH2 TRP 2 HH2 TRP 2 -13.481 -0.999 -6.745
24 HB2 TRP 2 1HB TRP 2 -13.492 -2.691 0.400
25 HB3 TRP 2 2HB TRP 2 -14.731 -1.850 -0.509
26 H CYS 3 H CYS 3 -11.815 -2.136 1.794
27 HA CYS 3 HA CYS 3 -9.406 -0.554 1.597
28 HB2 CYS 3 1HB CYS 3 -10.046 -3.006 3.251
29 HB3 CYS 3 2HB CYS 3 -8.545 -2.105 3.322
30 H VAL 4 H VAL 4 -7.432 -1.365 0.688
31 HA VAL 4 HA VAL 4 -7.453 -4.019 -0.455
32 HB VAL 4 HB VAL 4 -6.955 -3.251 -2.703
33 HG11 VAL 4 1HG1 VAL 4 -9.175 -2.616 -3.371
34 HG12 VAL 4 2HG1 VAL 4 -9.315 -3.720 -1.982
35 HG13 VAL 4 3HG1 VAL 4 -9.536 -1.969 -1.753
36 HG21 VAL 4 3HG2 VAL 4 -7.764 -0.443 -1.960
37 HG22 VAL 4 1HG2 VAL 4 -6.070 -0.971 -1.824
38 HG23 VAL 4 2HG2 VAL 4 -6.894 -1.025 -3.400
39 H TYR 5 H TYR 5 -5.264 -4.652 -1.205
40 HA TYR 5 HA TYR 5 -3.268 -3.260 0.401
41 HD1 TYR 5 HD1 TYR 5 -4.685 -4.747 1.819
42 HD2 TYR 5 HD2 TYR 5 -3.908 -7.828 -1.045
43 HE1 TYR 5 HE1 TYR 5 -6.514 -6.179 2.853
44 HE2 TYR 5 HE2 TYR 5 -5.739 -9.250 -0.002
45 HH TYR 5 HH TYR 5 -8.070 -8.169 1.768
46 HB2 TYR 5 1HB TYR 5 -2.828 -5.763 -1.270
47 HB3 TYR 5 2HB TYR 5 -2.199 -5.407 0.327
48 H ALA 6 H ALA 6 -1.439 -2.271 -0.437
49 HA ALA 6 HA ALA 6 -0.867 -2.578 -3.257
50 HB1 ALA 6 3HB ALA 6 -2.038 -0.104 -2.015
51 HB2 ALA 6 1HB ALA 6 -0.802 0.079 -3.282
52 HB3 ALA 6 2HB ALA 6 -2.309 -0.803 -3.629
53 H TYR 7 H TYR 7 1.267 -1.623 -3.807
54 HA TYR 7 HA TYR 7 2.924 -1.369 -1.387
55 HD1 TYR 7 HD2 TYR 7 3.854 -4.159 -1.029
56 HD2 TYR 7 HD1 TYR 7 2.036 -3.848 -4.889
57 HE1 TYR 7 HE2 TYR 7 2.818 -6.462 -0.734
58 HE2 TYR 7 HE1 TYR 7 1.007 -6.152 -4.582
59 HH TYR 7 HH TYR 7 1.763 -8.098 -1.725
60 HB2 TYR 7 1HB TYR 7 3.699 -2.268 -4.223
61 HB3 TYR 7 2HB TYR 7 4.642 -2.501 -2.764
62 H VAL 8 H VAL 8 4.867 0.012 -1.609
63 HA VAL 8 HA VAL 8 4.718 1.924 -3.803
64 HB VAL 8 HB VAL 8 3.404 3.063 -2.252
65 HG11 VAL 8 1HG1 VAL 8 3.723 3.169 0.106
66 HG12 VAL 8 2HG1 VAL 8 3.930 1.462 -0.356
67 HG13 VAL 8 3HG1 VAL 8 5.356 2.470 -0.012
68 HG21 VAL 8 3HG2 VAL 8 4.779 4.953 -1.491
69 HG22 VAL 8 1HG2 VAL 8 6.253 3.992 -1.758
70 HG23 VAL 8 2HG2 VAL 8 5.225 4.447 -3.139
71 H ARG 9 H ARG 9 6.745 3.230 -3.967
72 HA ARG 9 HA ARG 9 8.935 1.550 -3.125
73 HE ARG 9 HE ARG 9 10.914 4.985 -7.488
74 HB2 ARG 9 1HB ARG 9 9.279 1.982 -5.387
75 HB3 ARG 9 2HB ARG 9 8.453 3.526 -5.330
76 HG2 ARG 9 1HG ARG 9 10.358 4.670 -4.494
77 HG3 ARG 9 2HG ARG 9 11.101 3.202 -3.892
78 HD2 ARG 9 1HD ARG 9 12.283 3.044 -5.824
79 HD3 ARG 9 2HD ARG 9 10.783 2.791 -6.695
80 HH11 ARG 9 1HH1 ARG 9 12.972 4.707 -4.618
81 HH12 ARG 9 2HH1 ARG 9 13.624 6.304 -4.778
82 HH21 ARG 9 1HH2 ARG 9 11.752 7.032 -7.690
83 HH22 ARG 9 2HH2 ARG 9 12.905 7.687 -6.598
84 H ILE 10 H ILE 10 9.885 2.103 -1.186
85 HA ILE 10 HA ILE 10 10.408 4.944 -0.736
86 HB ILE 10 HB ILE 10 8.903 3.065 1.040
87 HG12 ILE 10 1HG1 ILE 10 8.199 5.248 -0.520
88 HG13 ILE 10 2HG1 ILE 10 7.233 4.507 0.740
89 HG21 ILE 10 1HG2 ILE 10 9.367 4.456 2.982
90 HG22 ILE 10 2HG2 ILE 10 10.869 3.740 2.349
91 HG23 ILE 10 3HG2 ILE 10 10.493 5.450 2.026
92 HD11 ILE 10 3HD1 ILE 10 8.202 6.038 2.430
93 HD12 ILE 10 1HD1 ILE 10 9.238 6.768 1.180
94 HD13 ILE 10 2HD1 ILE 10 7.470 6.958 1.094
95 H ARG 11 H ARG 11 12.479 5.343 -0.088
96 HA ARG 11 HA ARG 11 14.539 5.000 0.464
97 HE ARG 11 HE ARG 11 14.934 4.105 5.778
98 HB2 ARG 11 1HB ARG 11 13.327 2.641 1.965
99 HB3 ARG 11 2HB ARG 11 15.050 2.954 2.020
100 HG2 ARG 11 1HG ARG 11 13.505 5.409 2.501
101 HG3 ARG 11 2HG ARG 11 13.065 4.150 3.637
102 HD2 ARG 11 1HD ARG 11 15.833 3.919 3.605
103 HD3 ARG 11 2HD ARG 11 15.625 5.644 3.371
104 HH11 ARG 11 1HH1 ARG 11 14.425 7.133 4.011
105 HH12 ARG 11 2HH1 ARG 11 13.920 8.013 5.416
106 HH21 ARG 11 1HH2 ARG 11 14.286 5.236 7.577
107 HH22 ARG 11 2HH2 ARG 11 13.835 6.893 7.533
108 H GLY 12 H GLY 12 13.608 4.001 -2.080
109 HA3 GLY 12 2HA GLY 12 15.804 2.461 -2.901
110 H VAL 13 H VAL 13 12.865 1.558 -1.268
111 HA VAL 13 HA VAL 13 13.207 -1.210 -2.190
112 HB VAL 13 HB VAL 13 12.444 -0.507 0.627
113 HG11 VAL 13 1HG1 VAL 13 12.339 -2.726 0.798
114 HG12 VAL 13 2HG1 VAL 13 12.884 -2.911 -0.886
115 HG13 VAL 13 3HG1 VAL 13 14.078 -2.821 0.431
116 HG21 VAL 13 3HG2 VAL 13 15.087 -0.143 -0.626
117 HG22 VAL 13 1HG2 VAL 13 14.441 0.497 0.904
118 HG23 VAL 13 2HG2 VAL 13 15.103 -1.154 0.839
119 H LEU 14 H LEU 14 11.206 -2.559 -1.826
120 HA LEU 14 HA LEU 14 8.880 -0.881 -2.383
121 HG LEU 14 HG LEU 14 7.043 -3.530 -3.766
122 HB2 LEU 14 1HB LEU 14 9.806 -2.806 -3.888
123 HB3 LEU 14 2HB LEU 14 8.986 -3.853 -2.746
124 HD11 LEU 14 1HD1 LEU 14 5.906 -1.426 -3.844
125 HD12 LEU 14 2HD1 LEU 14 6.833 -1.498 -2.326
126 HD13 LEU 14 3HD1 LEU 14 7.436 -0.529 -3.693
127 HD21 LEU 14 3HD2 LEU 14 8.385 -3.494 -5.790
128 HD22 LEU 14 1HD2 LEU 14 6.974 -2.421 -5.962
129 HD23 LEU 14 2HD2 LEU 14 8.586 -1.730 -5.655
130 H VAL 15 H VAL 15 7.588 -0.410 -0.694
131 HA VAL 15 HA VAL 15 7.514 -2.353 1.500
132 HB VAL 15 HB VAL 15 6.437 0.419 1.727
133 HG11 VAL 15 1HG1 VAL 15 6.196 -1.081 3.616
134 HG12 VAL 15 2HG1 VAL 15 7.939 -1.443 3.597
135 HG13 VAL 15 3HG1 VAL 15 7.374 0.191 4.021
136 HG21 VAL 15 3HG2 VAL 15 9.402 -0.240 1.761
137 HG22 VAL 15 1HG2 VAL 15 8.560 0.786 0.576
138 HG23 VAL 15 2HG2 VAL 15 8.678 1.302 2.275
139 H ARG 16 H ARG 16 5.506 -3.102 2.306
140 HA ARG 16 HA ARG 16 3.394 -2.795 0.354
141 HE ARG 16 HE ARG 16 4.989 -7.837 2.863
142 HB2 ARG 16 1HB ARG 16 3.216 -4.732 2.668
143 HB3 ARG 16 2HB ARG 16 2.607 -4.912 1.034
144 HG2 ARG 16 1HG ARG 16 5.118 -4.931 0.302
145 HG3 ARG 16 2HG ARG 16 5.479 -5.187 1.998
146 HD2 ARG 16 1HD ARG 16 3.372 -7.017 1.329
147 HD3 ARG 16 2HD ARG 16 4.546 -7.114 0.032
148 HH11 ARG 16 1HH1 ARG 16 6.462 -7.247 -0.305
149 HH12 ARG 16 2HH1 ARG 16 7.916 -8.110 0.072
150 HH21 ARG 16 1HH2 ARG 16 6.855 -8.943 3.342
151 HH22 ARG 16 2HH2 ARG 16 8.155 -9.118 2.233
152 H TYR 17 H TYR 17 1.266 -2.099 0.961
153 HA TYR 17 HA TYR 17 0.791 -1.458 3.748
154 HD1 TYR 17 HD2 TYR 17 -1.509 1.333 1.814
155 HD2 TYR 17 HD1 TYR 17 2.300 0.400 0.104
156 HE1 TYR 17 HE2 TYR 17 -2.315 2.159 -0.452
157 HE2 TYR 17 HE1 TYR 17 1.481 1.229 -2.156
158 HH TYR 17 HH TYR 17 -1.416 3.004 -2.481
159 HB2 TYR 17 1HB TYR 17 0.462 0.917 3.232
160 HB3 TYR 17 2HB TYR 17 2.006 0.489 2.521
161 H ARG 18 H ARG 18 -1.526 -0.392 3.909
162 HA ARG 18 HA ARG 18 -3.185 -1.489 1.801
163 HE ARG 18 HE ARG 18 -5.355 -3.982 5.381
164 HB2 ARG 18 1HB ARG 18 -3.727 -1.848 4.792
165 HB3 ARG 18 2HB ARG 18 -4.762 -2.413 3.496
166 HG2 ARG 18 1HG ARG 18 -3.024 -3.954 2.696
167 HG3 ARG 18 2HG ARG 18 -1.858 -3.297 3.828
168 HD2 ARG 18 1HD ARG 18 -3.805 -5.396 4.268
169 HD3 ARG 18 2HD ARG 18 -2.531 -4.852 5.340
170 HH11 ARG 18 1HH1 ARG 18 -2.069 -3.425 6.585
171 HH12 ARG 18 2HH1 ARG 18 -2.595 -2.511 7.959
172 HH21 ARG 18 1HH2 ARG 18 -6.024 -2.810 7.146
173 HH22 ARG 18 2HH2 ARG 18 -4.938 -2.143 8.298
174 H ARG 19 H ARG 19 -4.842 -0.080 1.200
175 HA ARG 19 HA ARG 19 -5.476 2.017 3.104
176 HE ARG 19 HE ARG 19 -5.438 5.167 2.197
177 HB2 ARG 19 1HB ARG 19 -4.724 2.330 0.166
178 HB3 ARG 19 2HB ARG 19 -5.671 3.553 0.990
179 HG2 ARG 19 1HG ARG 19 -3.677 3.262 2.822
180 HG3 ARG 19 2HG ARG 19 -2.794 2.791 1.383
181 HD2 ARG 19 1HD ARG 19 -2.531 5.198 1.670
182 HD3 ARG 19 2HD ARG 19 -3.541 4.931 0.263
183 HH11 ARG 19 1HH1 ARG 19 -2.574 7.146 1.541
184 HH12 ARG 19 2HH1 ARG 19 -3.279 8.597 2.172
185 HH21 ARG 19 1HH2 ARG 19 -6.338 7.030 3.006
186 HH22 ARG 19 2HH2 ARG 19 -5.511 8.535 3.043
187 H CYS 20 H CYS 20 -7.628 3.120 2.547
188 HA CYS 20 HA CYS 20 -9.333 1.295 1.017
189 HB2 CYS 20 1HB CYS 20 -10.396 2.756 3.407
190 HB3 CYS 20 2HB CYS 20 -11.015 1.324 2.609
191 H TRP 21 H TRP 21 -10.597 2.346 -0.518
192 HA TRP 21 HA TRP 21 -10.673 5.281 -0.334
193 HD1 TRP 21 1HD TRP 21 -12.399 5.089 -4.059
194 HE1 TRP 21 HE1 TRP 21 -13.076 3.216 -5.791
195 HE3 TRP 21 HE3 TRP 21 -8.922 1.699 -2.550
196 HZ2 TRP 21 HZ2 TRP 21 -12.103 0.586 -6.323
197 HZ3 TRP 21 HZ3 TRP 21 -8.852 -0.497 -3.728
198 HH2 TRP 21 2HH TRP 21 -10.369 -1.076 -5.555
199 HB2 TRP 21 1HB TRP 21 -10.142 5.530 -2.523
200 HB3 TRP 21 2HB TRP 21 -9.186 4.112 -2.140
Start of MODEL 4
1 HA ARG 1 HA ARG 1 -14.703 2.359 -1.891
2 HE ARG 1 HE ARG 1 -15.693 7.153 -1.446
3 H1 ARG 1 1H ARG 1 -16.859 3.172 -1.888
4 H2 ARG 1 2H ARG 1 -16.847 1.525 -2.041
5 H3 ARG 1 3H ARG 1 -17.279 2.217 -0.602
6 HB2 ARG 1 1HB ARG 1 -15.682 3.451 0.791
7 HB3 ARG 1 2HB ARG 1 -13.983 3.339 0.379
8 HG2 ARG 1 1HG ARG 1 -14.464 5.532 -0.292
9 HG3 ARG 1 2HG ARG 1 -14.676 4.666 -1.801
10 HD2 ARG 1 1HD ARG 1 -17.079 4.676 -1.598
11 HD3 ARG 1 2HD ARG 1 -17.015 5.127 0.095
12 HH11 ARG 1 1HH1 ARG 1 -18.949 5.903 -0.825
13 HH12 ARG 1 2HH1 ARG 1 -19.727 7.414 -1.160
14 HH21 ARG 1 1HH2 ARG 1 -16.695 9.088 -1.876
15 HH22 ARG 1 2HH2 ARG 1 -18.396 9.307 -1.784
16 H TRP 2 H TRP 2 -13.063 0.943 -0.996
17 HA TRP 2 HA TRP 2 -13.853 -0.830 1.153
18 HD1 TRP 2 HD1 TRP 2 -11.604 -3.612 -1.763
19 HE1 TRP 2 HE1 TRP 2 -10.900 -3.130 -4.260
20 HE3 TRP 2 HE3 TRP 2 -14.897 0.190 -2.510
21 HZ2 TRP 2 HZ2 TRP 2 -11.780 -1.255 -6.224
22 HZ3 TRP 2 HZ3 TRP 2 -14.910 1.293 -4.745
23 HH2 TRP 2 HH2 TRP 2 -13.422 0.628 -6.567
24 HB2 TRP 2 1HB TRP 2 -13.483 -2.861 -0.085
25 HB3 TRP 2 2HB TRP 2 -14.796 -1.943 -0.794
26 H CYS 3 H CYS 3 -11.851 -2.358 1.592
27 HA CYS 3 HA CYS 3 -9.547 -0.616 1.525
28 HB2 CYS 3 1HB CYS 3 -10.070 -3.223 2.965
29 HB3 CYS 3 2HB CYS 3 -8.566 -2.328 3.060
30 H VAL 4 H VAL 4 -7.451 -1.371 0.700
31 HA VAL 4 HA VAL 4 -7.448 -3.825 -0.825
32 HB VAL 4 HB VAL 4 -6.783 -2.722 -2.900
33 HG11 VAL 4 1HG1 VAL 4 -9.429 -1.532 -2.046
34 HG12 VAL 4 2HG1 VAL 4 -8.947 -2.154 -3.643
35 HG13 VAL 4 3HG1 VAL 4 -9.214 -3.282 -2.292
36 HG21 VAL 4 3HG2 VAL 4 -7.784 -0.054 -2.104
37 HG22 VAL 4 1HG2 VAL 4 -6.222 -0.523 -1.391
38 HG23 VAL 4 2HG2 VAL 4 -6.424 -0.506 -3.159
39 H TYR 5 H TYR 5 -5.209 -4.323 -1.623
40 HA TYR 5 HA TYR 5 -3.251 -3.049 0.163
41 HD1 TYR 5 HD2 TYR 5 -5.504 -4.726 0.972
42 HD2 TYR 5 HD1 TYR 5 -1.672 -6.566 1.460
43 HE1 TYR 5 HE2 TYR 5 -6.127 -5.412 3.339
44 HE2 TYR 5 HE1 TYR 5 -2.308 -7.245 3.826
45 HH TYR 5 HH TYR 5 -4.795 -7.694 4.962
46 HB2 TYR 5 1HB TYR 5 -3.719 -5.823 -1.049
47 HB3 TYR 5 2HB TYR 5 -2.113 -5.392 -0.497
48 H ALA 6 H ALA 6 -1.397 -2.157 -0.687
49 HA ALA 6 HA ALA 6 -0.665 -2.797 -3.412
50 HB1 ALA 6 3HB ALA 6 -0.545 -0.161 -3.741
51 HB2 ALA 6 1HB ALA 6 -2.047 -1.057 -4.074
52 HB3 ALA 6 2HB ALA 6 -1.857 -0.178 -2.538
53 H TYR 7 H TYR 7 1.499 -1.801 -3.953
54 HA TYR 7 HA TYR 7 3.028 -1.391 -1.471
55 HD1 TYR 7 HD1 TYR 7 3.798 -4.176 -0.902
56 HD2 TYR 7 HD2 TYR 7 2.413 -4.055 -4.948
57 HE1 TYR 7 HE1 TYR 7 2.705 -6.453 -0.604
58 HE2 TYR 7 HE2 TYR 7 1.325 -6.332 -4.636
59 HH TYR 7 HH TYR 7 1.506 -8.239 -3.275
60 HB2 TYR 7 1HB TYR 7 3.992 -2.445 -4.190
61 HB3 TYR 7 2HB TYR 7 4.803 -2.627 -2.647
62 H VAL 8 H VAL 8 5.000 -0.035 -1.706
63 HA VAL 8 HA VAL 8 4.940 1.742 -4.014
64 HB VAL 8 HB VAL 8 3.646 3.087 -2.705
65 HG11 VAL 8 1HG1 VAL 8 4.514 3.199 -0.080
66 HG12 VAL 8 2HG1 VAL 8 3.134 2.251 -0.686
67 HG13 VAL 8 3HG1 VAL 8 4.730 1.483 -0.501
68 HG21 VAL 8 3HG2 VAL 8 5.064 4.823 -1.641
69 HG22 VAL 8 1HG2 VAL 8 6.464 3.731 -1.771
70 HG23 VAL 8 2HG2 VAL 8 5.664 4.333 -3.243
71 H ARG 9 H ARG 9 6.973 3.060 -4.149
72 HA ARG 9 HA ARG 9 9.126 1.424 -3.140
73 HE ARG 9 HE ARG 9 10.609 3.268 -7.862
74 HB2 ARG 9 1HB ARG 9 9.576 1.749 -5.398
75 HB3 ARG 9 2HB ARG 9 8.732 3.283 -5.457
76 HG2 ARG 9 1HG ARG 9 10.587 4.499 -4.652
77 HG3 ARG 9 2HG ARG 9 11.293 3.104 -3.861
78 HD2 ARG 9 1HD ARG 9 12.648 3.545 -5.814
79 HD3 ARG 9 2HD ARG 9 11.721 2.101 -6.170
80 HH11 ARG 9 1HH1 ARG 9 12.081 5.617 -5.656
81 HH12 ARG 9 2HH1 ARG 9 11.677 6.983 -6.642
82 HH21 ARG 9 1HH2 ARG 9 10.094 5.022 -9.124
83 HH22 ARG 9 2HH2 ARG 9 10.499 6.637 -8.700
84 H ILE 10 H ILE 10 9.925 2.070 -1.157
85 HA ILE 10 HA ILE 10 10.439 4.934 -0.828
86 HB ILE 10 HB ILE 10 8.928 3.102 1.003
87 HG12 ILE 10 1HG1 ILE 10 8.161 5.110 -0.738
88 HG13 ILE 10 2HG1 ILE 10 7.201 4.442 0.567
89 HG21 ILE 10 1HG2 ILE 10 9.256 4.655 2.849
90 HG22 ILE 10 2HG2 ILE 10 10.810 3.966 2.321
91 HG23 ILE 10 3HG2 ILE 10 10.370 5.627 1.858
92 HD11 ILE 10 3HD1 ILE 10 8.144 6.158 2.131
93 HD12 ILE 10 1HD1 ILE 10 9.064 6.853 0.775
94 HD13 ILE 10 2HD1 ILE 10 7.284 6.894 0.757
95 H ARG 11 H ARG 11 12.480 5.387 -0.118
96 HA ARG 11 HA ARG 11 14.524 5.092 0.512
97 HE ARG 11 HE ARG 11 15.970 3.947 4.125
98 HB2 ARG 11 1HB ARG 11 13.249 2.831 2.101
99 HB3 ARG 11 2HB ARG 11 14.980 3.091 2.171
100 HG2 ARG 11 1HG ARG 11 14.587 5.465 2.882
101 HG3 ARG 11 2HG ARG 11 12.858 5.188 2.831
102 HD2 ARG 11 1HD ARG 11 13.410 4.870 5.123
103 HD3 ARG 11 2HD ARG 11 13.281 3.237 4.500
104 HH11 ARG 11 1HH1 ARG 11 13.775 3.666 6.892
105 HH12 ARG 11 2HH1 ARG 11 15.037 3.275 8.012
106 HH21 ARG 11 1HH2 ARG 11 17.586 3.445 5.565
107 HH22 ARG 11 2HH2 ARG 11 17.299 3.142 7.232
108 H GLY 12 H GLY 12 13.705 3.967 -2.011
109 HA3 GLY 12 2HA GLY 12 15.937 2.411 -2.678
110 H VAL 13 H VAL 13 12.908 1.557 -1.155
111 HA VAL 13 HA VAL 13 13.329 -1.251 -1.904
112 HB VAL 13 HB VAL 13 12.482 -0.389 0.848
113 HG11 VAL 13 1HG1 VAL 13 13.835 -2.678 1.194
114 HG12 VAL 13 2HG1 VAL 13 12.108 -2.638 0.766
115 HG13 VAL 13 3HG1 VAL 13 13.332 -2.911 -0.498
116 HG21 VAL 13 3HG2 VAL 13 15.140 -0.097 -0.352
117 HG22 VAL 13 1HG2 VAL 13 14.496 0.543 1.179
118 HG23 VAL 13 2HG2 VAL 13 15.143 -1.114 1.109
119 H LEU 14 H LEU 14 11.341 -2.601 -1.609
120 HA LEU 14 HA LEU 14 9.018 -0.979 -2.309
121 HG LEU 14 HG LEU 14 7.263 -3.737 -3.606
122 HB2 LEU 14 1HB LEU 14 10.010 -2.952 -3.691
123 HB3 LEU 14 2HB LEU 14 9.185 -3.965 -2.524
124 HD11 LEU 14 1HD1 LEU 14 7.587 -0.727 -3.658
125 HD12 LEU 14 2HD1 LEU 14 6.081 -1.664 -3.815
126 HD13 LEU 14 3HD1 LEU 14 6.963 -1.649 -2.269
127 HD21 LEU 14 3HD2 LEU 14 7.228 -2.713 -5.852
128 HD22 LEU 14 1HD2 LEU 14 8.828 -1.999 -5.534
129 HD23 LEU 14 2HD2 LEU 14 8.640 -3.768 -5.599
130 H VAL 15 H VAL 15 7.685 -0.423 -0.677
131 HA VAL 15 HA VAL 15 7.506 -2.291 1.579
132 HB VAL 15 HB VAL 15 6.493 0.511 1.698
133 HG11 VAL 15 1HG1 VAL 15 6.163 -0.901 3.627
134 HG12 VAL 15 2HG1 VAL 15 7.885 -1.352 3.650
135 HG13 VAL 15 3HG1 VAL 15 7.398 0.319 4.021
136 HG21 VAL 15 3HG2 VAL 15 9.430 -0.246 1.690
137 HG22 VAL 15 1HG2 VAL 15 8.598 0.924 0.637
138 HG23 VAL 15 2HG2 VAL 15 8.803 1.274 2.370
139 H ARG 16 H ARG 16 5.436 -2.909 2.378
140 HA ARG 16 HA ARG 16 3.410 -2.655 0.329
141 HE ARG 16 HE ARG 16 5.429 -6.688 -0.461
142 HB2 ARG 16 1HB ARG 16 3.077 -4.439 2.746
143 HB3 ARG 16 2HB ARG 16 2.525 -4.699 1.103
144 HG2 ARG 16 1HG ARG 16 5.061 -4.845 0.476
145 HG3 ARG 16 2HG ARG 16 5.347 -5.005 2.197
146 HD2 ARG 16 1HD ARG 16 4.700 -7.187 2.178
147 HD3 ARG 16 2HD ARG 16 3.182 -6.791 1.396
148 HH11 ARG 16 1HH1 ARG 16 3.118 -8.874 1.099
149 HH12 ARG 16 2HH1 ARG 16 3.232 -10.079 -0.140
150 HH21 ARG 16 1HH2 ARG 16 5.572 -8.236 -2.048
151 HH22 ARG 16 2HH2 ARG 16 4.685 -9.707 -2.009
152 H TYR 17 H TYR 17 1.238 -1.948 0.851
153 HA TYR 17 HA TYR 17 0.739 -1.050 3.563
154 HD1 TYR 17 HD2 TYR 17 -1.540 1.534 1.317
155 HD2 TYR 17 HD1 TYR 17 2.310 0.456 -0.207
156 HE1 TYR 17 HE2 TYR 17 -2.296 2.131 -1.036
157 HE2 TYR 17 HE1 TYR 17 1.541 1.057 -2.555
158 HH TYR 17 HH TYR 17 -1.783 2.178 -3.131
159 HB2 TYR 17 1HB TYR 17 0.398 1.266 2.814
160 HB3 TYR 17 2HB TYR 17 1.960 0.780 2.183
161 H ARG 18 H ARG 18 -1.543 -0.479 3.914
162 HA ARG 18 HA ARG 18 -3.221 -1.464 1.752
163 HE ARG 18 HE ARG 18 -4.558 -4.417 5.120
164 HB2 ARG 18 1HB ARG 18 -3.756 -1.939 4.724
165 HB3 ARG 18 2HB ARG 18 -4.652 -2.615 3.379
166 HG2 ARG 18 1HG ARG 18 -3.118 -4.277 3.029
167 HG3 ARG 18 2HG ARG 18 -1.756 -3.189 3.212
168 HD2 ARG 18 1HD ARG 18 -1.769 -4.889 5.020
169 HD3 ARG 18 2HD ARG 18 -1.974 -3.280 5.684
170 HH11 ARG 18 1HH1 ARG 18 -1.873 -4.703 7.414
171 HH12 ARG 18 2HH1 ARG 18 -2.872 -5.290 8.702
172 HH21 ARG 18 1HH2 ARG 18 -5.836 -5.170 6.774
173 HH22 ARG 18 2HH2 ARG 18 -5.223 -5.569 8.329
174 H ARG 19 H ARG 19 -4.875 -0.050 1.209
175 HA ARG 19 HA ARG 19 -5.697 1.827 3.255
176 HE ARG 19 HE ARG 19 -5.719 5.036 2.717
177 HB2 ARG 19 1HB ARG 19 -4.750 2.505 0.437
178 HB3 ARG 19 2HB ARG 19 -5.794 3.594 1.329
179 HG2 ARG 19 1HG ARG 19 -3.913 3.134 3.249
180 HG3 ARG 19 2HG ARG 19 -2.922 2.877 1.826
181 HD2 ARG 19 1HD ARG 19 -2.786 5.239 2.448
182 HD3 ARG 19 2HD ARG 19 -3.660 5.116 0.934
183 HH11 ARG 19 1HH1 ARG 19 -2.920 7.199 2.517
184 HH12 ARG 19 2HH1 ARG 19 -3.746 8.537 3.243
185 HH21 ARG 19 1HH2 ARG 19 -6.774 6.755 3.648
186 HH22 ARG 19 2HH2 ARG 19 -6.031 8.281 3.916
187 H CYS 20 H CYS 20 -7.853 2.888 2.680
188 HA CYS 20 HA CYS 20 -9.359 1.173 0.843
189 HB2 CYS 20 1HB CYS 20 -10.734 2.415 3.178
190 HB3 CYS 20 2HB CYS 20 -11.114 0.949 2.296
191 H TRP 21 H TRP 21 -10.550 2.303 -0.698
192 HA TRP 21 HA TRP 21 -10.740 5.212 -0.301
193 HD1 TRP 21 1HD TRP 21 -12.140 5.274 -4.154
194 HE1 TRP 21 HE1 TRP 21 -12.597 3.539 -6.089
195 HE3 TRP 21 HE3 TRP 21 -8.660 1.886 -2.649
196 HZ2 TRP 21 HZ2 TRP 21 -11.477 1.001 -6.758
197 HZ3 TRP 21 HZ3 TRP 21 -8.406 -0.194 -3.999
198 HH2 TRP 21 2HH TRP 21 -9.745 -0.663 -5.990
199 HB2 TRP 21 1HB TRP 21 -10.027 5.655 -2.405
200 HB3 TRP 21 2HB TRP 21 -9.060 4.236 -2.055
Start of MODEL 5
1 HA ARG 1 HA ARG 1 -15.557 2.325 1.317
2 HE ARG 1 HE ARG 1 -19.545 2.362 -1.041
3 H1 ARG 1 1H ARG 1 -16.851 2.812 -0.527
4 H2 ARG 1 2H ARG 1 -15.455 2.041 -0.969
5 H3 ARG 1 3H ARG 1 -16.892 1.222 -0.989
6 HB2 ARG 1 1HB ARG 1 -17.301 1.137 2.656
7 HB3 ARG 1 2HB ARG 1 -18.015 2.331 1.590
8 HG2 ARG 1 1HG ARG 1 -17.811 -0.157 0.131
9 HG3 ARG 1 2HG ARG 1 -18.530 -0.503 1.691
10 HD2 ARG 1 1HD ARG 1 -20.449 0.095 0.517
11 HD3 ARG 1 2HD ARG 1 -20.000 1.670 1.141
12 HH11 ARG 1 1HH1 ARG 1 -19.464 -1.179 -0.954
13 HH12 ARG 1 2HH1 ARG 1 -19.266 -1.341 -2.667
14 HH21 ARG 1 1HH2 ARG 1 -19.292 2.150 -3.238
15 HH22 ARG 1 2HH2 ARG 1 -19.164 0.630 -4.028
16 H TRP 2 H TRP 2 -13.771 1.015 -0.026
17 HA TRP 2 HA TRP 2 -13.602 -1.574 1.260
18 HD1 TRP 2 HD1 TRP 2 -11.571 -3.265 -2.271
19 HE1 TRP 2 HE1 TRP 2 -10.552 -2.064 -4.387
20 HE3 TRP 2 HE3 TRP 2 -14.489 0.888 -1.971
21 HZ2 TRP 2 HZ2 TRP 2 -11.068 0.433 -5.670
22 HZ3 TRP 2 HZ3 TRP 2 -14.168 2.660 -3.695
23 HH2 TRP 2 HH2 TRP 2 -12.528 2.482 -5.498
24 HB2 TRP 2 1HB TRP 2 -13.534 -2.906 -0.574
25 HB3 TRP 2 2HB TRP 2 -14.737 -1.741 -1.091
26 H CYS 3 H CYS 3 -11.317 -2.397 1.120
27 HA CYS 3 HA CYS 3 -9.460 -0.228 0.472
28 HB2 CYS 3 1HB CYS 3 -9.055 -2.081 2.813
29 HB3 CYS 3 2HB CYS 3 -8.184 -0.612 2.421
30 H VAL 4 H VAL 4 -7.337 -1.000 -0.261
31 HA VAL 4 HA VAL 4 -7.175 -3.871 -0.756
32 HB VAL 4 HB VAL 4 -6.654 -3.564 -3.071
33 HG11 VAL 4 1HG1 VAL 4 -8.805 -2.965 -3.938
34 HG12 VAL 4 2HG1 VAL 4 -9.064 -3.719 -2.347
35 HG13 VAL 4 3HG1 VAL 4 -9.162 -1.950 -2.520
36 HG21 VAL 4 3HG2 VAL 4 -6.490 -1.505 -4.202
37 HG22 VAL 4 1HG2 VAL 4 -7.255 -0.608 -2.869
38 HG23 VAL 4 2HG2 VAL 4 -5.606 -1.250 -2.679
39 H TYR 5 H TYR 5 -4.975 -4.618 -1.083
40 HA TYR 5 HA TYR 5 -3.066 -2.786 0.155
41 HD1 TYR 5 HD2 TYR 5 -4.820 -3.703 1.585
42 HD2 TYR 5 HD1 TYR 5 -3.464 -7.618 0.517
43 HE1 TYR 5 HE2 TYR 5 -6.730 -4.734 2.908
44 HE2 TYR 5 HE1 TYR 5 -5.379 -8.635 1.845
45 HH TYR 5 HH TYR 5 -7.151 -6.904 4.065
46 HB2 TYR 5 1HB TYR 5 -2.567 -5.692 -0.591
47 HB3 TYR 5 2HB TYR 5 -2.031 -4.838 0.842
48 H ALA 6 H ALA 6 -1.138 -2.159 -0.823
49 HA ALA 6 HA ALA 6 -0.441 -3.332 -3.375
50 HB1 ALA 6 3HB ALA 6 -0.299 -0.562 -3.866
51 HB2 ALA 6 1HB ALA 6 -1.436 -1.722 -4.592
52 HB3 ALA 6 2HB ALA 6 -1.897 -0.822 -3.127
53 H TYR 7 H TYR 7 1.748 -2.589 -4.083
54 HA TYR 7 HA TYR 7 3.335 -1.913 -1.712
55 HD1 TYR 7 HD1 TYR 7 3.360 -4.385 -1.099
56 HD2 TYR 7 HD2 TYR 7 3.416 -4.886 -5.348
57 HE1 TYR 7 HE1 TYR 7 2.285 -6.676 -0.851
58 HE2 TYR 7 HE2 TYR 7 2.342 -7.175 -5.085
59 HH TYR 7 HH TYR 7 0.910 -8.310 -3.429
60 HB2 TYR 7 1HB TYR 7 4.260 -2.930 -4.451
61 HB3 TYR 7 2HB TYR 7 5.076 -3.141 -2.915
62 H VAL 8 H VAL 8 5.029 -0.336 -1.841
63 HA VAL 8 HA VAL 8 5.024 1.313 -4.248
64 HB VAL 8 HB VAL 8 3.415 2.415 -2.910
65 HG11 VAL 8 1HG1 VAL 8 3.447 2.709 -0.624
66 HG12 VAL 8 2HG1 VAL 8 4.322 1.165 -0.766
67 HG13 VAL 8 3HG1 VAL 8 5.225 2.682 -0.532
68 HG21 VAL 8 3HG2 VAL 8 4.423 4.570 -2.538
69 HG22 VAL 8 1HG2 VAL 8 6.040 3.842 -2.378
70 HG23 VAL 8 2HG2 VAL 8 5.207 3.824 -3.951
71 H ARG 9 H ARG 9 6.944 2.816 -4.273
72 HA ARG 9 HA ARG 9 9.154 1.370 -3.140
73 HE ARG 9 HE ARG 9 10.935 4.889 -7.335
74 HB2 ARG 9 1HB ARG 9 9.689 1.857 -5.358
75 HB3 ARG 9 2HB ARG 9 8.760 3.342 -5.370
76 HG2 ARG 9 1HG ARG 9 10.483 4.573 -4.248
77 HG3 ARG 9 2HG ARG 9 11.293 3.117 -3.706
78 HD2 ARG 9 1HD ARG 9 12.659 3.420 -5.514
79 HD3 ARG 9 2HD ARG 9 11.336 2.760 -6.454
80 HH11 ARG 9 1HH1 ARG 9 12.876 5.231 -4.390
81 HH12 ARG 9 2HH1 ARG 9 13.126 6.931 -4.604
82 HH21 ARG 9 1HH2 ARG 9 11.258 7.071 -7.604
83 HH22 ARG 9 2HH2 ARG 9 12.169 8.029 -6.508
84 H ILE 10 H ILE 10 9.701 1.969 -1.055
85 HA ILE 10 HA ILE 10 9.920 4.849 -0.551
86 HB ILE 10 HB ILE 10 8.481 2.762 1.033
87 HG12 ILE 10 1HG1 ILE 10 7.693 4.917 -0.528
88 HG13 ILE 10 2HG1 ILE 10 6.699 4.028 0.609
89 HG21 ILE 10 1HG2 ILE 10 10.072 3.464 2.650
90 HG22 ILE 10 2HG2 ILE 10 9.907 5.172 2.176
91 HG23 ILE 10 3HG2 ILE 10 8.562 4.342 2.996
92 HD11 ILE 10 3HD1 ILE 10 7.129 5.599 2.383
93 HD12 ILE 10 1HD1 ILE 10 8.455 6.362 1.473
94 HD13 ILE 10 2HD1 ILE 10 6.771 6.571 0.935
95 H ARG 11 H ARG 11 11.884 5.463 0.220
96 HA ARG 11 HA ARG 11 13.916 5.353 0.945
97 HE ARG 11 HE ARG 11 14.560 5.869 6.026
98 HB2 ARG 11 1HB ARG 11 12.689 3.046 2.461
99 HB3 ARG 11 2HB ARG 11 14.434 3.207 2.507
100 HG2 ARG 11 1HG ARG 11 14.036 5.689 3.154
101 HG3 ARG 11 2HG ARG 11 12.359 5.248 3.409
102 HD2 ARG 11 1HD ARG 11 13.024 3.548 5.087
103 HD3 ARG 11 2HD ARG 11 14.719 3.872 4.783
104 HH11 ARG 11 1HH1 ARG 11 11.316 4.574 5.431
105 HH12 ARG 11 2HH1 ARG 11 10.544 5.665 6.533
106 HH21 ARG 11 1HH2 ARG 11 13.565 7.266 7.439
107 HH22 ARG 11 2HH2 ARG 11 11.872 7.263 7.727
108 H GLY 12 H GLY 12 13.299 4.206 -1.641
109 HA3 GLY 12 2HA GLY 12 15.713 2.898 -2.237
110 H VAL 13 H VAL 13 12.716 1.724 -0.884
111 HA VAL 13 HA VAL 13 13.417 -1.006 -1.707
112 HB VAL 13 HB VAL 13 12.363 -0.349 1.026
113 HG11 VAL 13 1HG1 VAL 13 13.877 -2.662 -0.212
114 HG12 VAL 13 2HG1 VAL 13 13.668 -2.472 1.545
115 HG13 VAL 13 3HG1 VAL 13 12.244 -2.661 0.495
116 HG21 VAL 13 3HG2 VAL 13 15.031 -0.742 1.482
117 HG22 VAL 13 1HG2 VAL 13 15.067 0.216 -0.018
118 HG23 VAL 13 2HG2 VAL 13 14.233 0.849 1.422
119 H LEU 14 H LEU 14 11.531 -2.542 -1.469
120 HA LEU 14 HA LEU 14 9.104 -1.103 -2.239
121 HG LEU 14 HG LEU 14 7.659 -3.931 -3.738
122 HB2 LEU 14 1HB LEU 14 10.331 -2.922 -3.653
123 HB3 LEU 14 2HB LEU 14 9.541 -4.049 -2.570
124 HD11 LEU 14 1HD1 LEU 14 7.726 -0.905 -3.649
125 HD12 LEU 14 2HD1 LEU 14 6.315 -1.959 -3.912
126 HD13 LEU 14 3HD1 LEU 14 7.127 -1.937 -2.328
127 HD21 LEU 14 3HD2 LEU 14 9.123 -3.755 -5.659
128 HD22 LEU 14 1HD2 LEU 14 7.641 -2.809 -5.937
129 HD23 LEU 14 2HD2 LEU 14 9.158 -1.982 -5.509
130 H VAL 15 H VAL 15 7.651 -0.755 -0.655
131 HA VAL 15 HA VAL 15 7.438 -2.840 1.407
132 HB VAL 15 HB VAL 15 6.662 0.007 1.895
133 HG11 VAL 15 1HG1 VAL 15 6.275 -2.035 3.459
134 HG12 VAL 15 2HG1 VAL 15 8.013 -1.888 3.811
135 HG13 VAL 15 3HG1 VAL 15 6.919 -0.527 4.152
136 HG21 VAL 15 3HG2 VAL 15 8.913 0.170 0.927
137 HG22 VAL 15 1HG2 VAL 15 8.931 0.542 2.668
138 HG23 VAL 15 2HG2 VAL 15 9.507 -1.040 2.089
139 H ARG 16 H ARG 16 5.304 -3.380 2.125
140 HA ARG 16 HA ARG 16 3.357 -2.778 0.085
141 HE ARG 16 HE ARG 16 5.000 -7.230 2.728
142 HB2 ARG 16 1HB ARG 16 2.799 -4.670 2.375
143 HB3 ARG 16 2HB ARG 16 2.276 -4.780 0.706
144 HG2 ARG 16 1HG ARG 16 4.760 -5.156 0.091
145 HG3 ARG 16 2HG ARG 16 5.062 -5.344 1.807
146 HD2 ARG 16 1HD ARG 16 2.767 -6.970 1.110
147 HD3 ARG 16 2HD ARG 16 4.048 -7.308 -0.037
148 HH11 ARG 16 1HH1 ARG 16 3.532 -9.292 0.248
149 HH12 ARG 16 2HH1 ARG 16 4.084 -10.766 0.971
150 HH21 ARG 16 1HH2 ARG 16 5.705 -9.123 3.652
151 HH22 ARG 16 2HH2 ARG 16 5.373 -10.673 2.990
152 H TYR 17 H TYR 17 1.184 -2.012 0.641
153 HA TYR 17 HA TYR 17 0.749 -1.171 3.381
154 HD1 TYR 17 HD1 TYR 17 -1.308 1.555 0.939
155 HD2 TYR 17 HD2 TYR 17 2.623 0.291 -0.180
156 HE1 TYR 17 HE1 TYR 17 -1.788 2.177 -1.480
157 HE2 TYR 17 HE2 TYR 17 2.130 0.917 -2.594
158 HH TYR 17 HH TYR 17 0.448 2.692 -3.684
159 HB2 TYR 17 1HB TYR 17 0.429 1.187 2.628
160 HB3 TYR 17 2HB TYR 17 2.039 0.667 2.169
161 H ARG 18 H ARG 18 -1.511 -0.088 3.551
162 HA ARG 18 HA ARG 18 -3.229 -1.259 1.516
163 HE ARG 18 HE ARG 18 -4.915 -3.352 5.365
164 HB2 ARG 18 1HB ARG 18 -3.873 -1.159 4.504
165 HB3 ARG 18 2HB ARG 18 -4.830 -1.936 3.259
166 HG2 ARG 18 1HG ARG 18 -3.535 -3.814 3.277
167 HG3 ARG 18 2HG ARG 18 -2.045 -2.891 3.236
168 HD2 ARG 18 1HD ARG 18 -2.180 -4.180 5.338
169 HD3 ARG 18 2HD ARG 18 -2.224 -2.463 5.688
170 HH11 ARG 18 1HH1 ARG 18 -2.211 -3.778 7.614
171 HH12 ARG 18 2HH1 ARG 18 -3.232 -4.091 8.978
172 HH21 ARG 18 1HH2 ARG 18 -6.221 -3.755 7.117
173 HH22 ARG 18 2HH2 ARG 18 -5.611 -4.079 8.690
174 H ARG 19 H ARG 19 -4.854 0.125 0.761
175 HA ARG 19 HA ARG 19 -5.202 2.572 2.297
176 HE ARG 19 HE ARG 19 -5.176 5.467 0.714
177 HB2 ARG 19 1HB ARG 19 -4.851 2.199 -0.705
178 HB3 ARG 19 2HB ARG 19 -5.645 3.626 -0.070
179 HG2 ARG 19 1HG ARG 19 -3.445 3.643 1.525
180 HG3 ARG 19 2HG ARG 19 -2.765 2.796 0.150
181 HD2 ARG 19 1HD ARG 19 -2.383 5.175 -0.189
182 HD3 ARG 19 2HD ARG 19 -3.587 4.663 -1.354
183 HH11 ARG 19 1HH1 ARG 19 -2.404 7.041 -0.834
184 HH12 ARG 19 2HH1 ARG 19 -2.971 8.644 -0.502
185 HH21 ARG 19 1HH2 ARG 19 -5.898 7.524 1.139
186 HH22 ARG 19 2HH2 ARG 19 -5.042 8.937 0.668
187 H CYS 20 H CYS 20 -7.362 3.692 1.791
188 HA CYS 20 HA CYS 20 -9.353 1.669 1.059
189 HB2 CYS 20 1HB CYS 20 -9.549 3.838 3.158
190 HB3 CYS 20 2HB CYS 20 -10.900 2.864 2.611
191 H TRP 21 H TRP 21 -11.339 2.613 0.026
192 HA TRP 21 HA TRP 21 -10.630 4.523 -1.929
193 HD1 TRP 21 1HD TRP 21 -15.141 4.288 -3.066
194 HE1 TRP 21 HE1 TRP 21 -17.121 4.804 -1.399
195 HE3 TRP 21 HE3 TRP 21 -12.432 3.628 1.186
196 HZ2 TRP 21 HZ2 TRP 21 -17.327 4.877 1.446
197 HZ3 TRP 21 HZ3 TRP 21 -13.598 3.941 3.367
198 HH2 TRP 21 2HH TRP 21 -15.961 4.544 3.539
199 HB2 TRP 21 1HB TRP 21 -12.536 3.918 -2.944
200 HB3 TRP 21 2HB TRP 21 -12.423 2.558 -1.843
Start of MODEL 6
1 HA ARG 1 HA ARG 1 -15.531 2.331 1.304
2 HE ARG 1 HE ARG 1 -20.571 2.292 1.634
3 H1 ARG 1 1H ARG 1 -16.864 2.797 -0.517
4 H2 ARG 1 2H ARG 1 -15.479 2.018 -0.979
5 H3 ARG 1 3H ARG 1 -16.917 1.202 -0.959
6 HB2 ARG 1 1HB ARG 1 -17.247 1.186 2.700
7 HB3 ARG 1 2HB ARG 1 -17.994 2.335 1.609
8 HG2 ARG 1 1HG ARG 1 -17.741 -0.284 0.322
9 HG3 ARG 1 2HG ARG 1 -18.588 -0.430 1.849
10 HD2 ARG 1 1HD ARG 1 -19.320 1.665 -0.249
11 HD3 ARG 1 2HD ARG 1 -20.057 0.076 -0.198
12 HH11 ARG 1 1HH1 ARG 1 -20.661 -1.235 1.311
13 HH12 ARG 1 2HH1 ARG 1 -21.856 -1.442 2.548
14 HH21 ARG 1 1HH2 ARG 1 -22.104 2.022 3.219
15 HH22 ARG 1 2HH2 ARG 1 -22.716 0.485 3.683
16 H TRP 2 H TRP 2 -13.757 1.015 -0.018
17 HA TRP 2 HA TRP 2 -13.588 -1.574 1.268
18 HD1 TRP 2 HD1 TRP 2 -11.547 -3.259 -2.253
19 HE1 TRP 2 HE1 TRP 2 -10.533 -2.061 -4.374
20 HE3 TRP 2 HE3 TRP 2 -14.492 0.877 -1.976
21 HZ2 TRP 2 HZ2 TRP 2 -11.063 0.426 -5.668
22 HZ3 TRP 2 HZ3 TRP 2 -14.180 2.643 -3.707
23 HH2 TRP 2 HH2 TRP 2 -12.536 2.467 -5.508
24 HB2 TRP 2 1HB TRP 2 -13.520 -2.906 -0.565
25 HB3 TRP 2 2HB TRP 2 -14.724 -1.741 -1.081
26 H CYS 3 H CYS 3 -11.304 -2.398 1.130
27 HA CYS 3 HA CYS 3 -9.445 -0.232 0.478
28 HB2 CYS 3 1HB CYS 3 -9.040 -2.077 2.824
29 HB3 CYS 3 2HB CYS 3 -8.171 -0.607 2.428
30 H VAL 4 H VAL 4 -7.336 -1.000 -0.276
31 HA VAL 4 HA VAL 4 -7.172 -3.876 -0.755
32 HB VAL 4 HB VAL 4 -6.643 -3.568 -3.071
33 HG11 VAL 4 1HG1 VAL 4 -9.151 -1.941 -2.595
34 HG12 VAL 4 2HG1 VAL 4 -8.793 -3.064 -3.929
35 HG13 VAL 4 3HG1 VAL 4 -9.068 -3.692 -2.286
36 HG21 VAL 4 3HG2 VAL 4 -5.610 -1.248 -2.681
37 HG22 VAL 4 1HG2 VAL 4 -6.496 -1.508 -4.203
38 HG23 VAL 4 2HG2 VAL 4 -7.264 -0.616 -2.867
39 H TYR 5 H TYR 5 -4.969 -4.622 -1.100
40 HA TYR 5 HA TYR 5 -3.060 -2.798 0.152
41 HD1 TYR 5 HD2 TYR 5 -4.814 -3.727 1.568
42 HD2 TYR 5 HD1 TYR 5 -3.446 -7.633 0.485
43 HE1 TYR 5 HE2 TYR 5 -6.719 -4.768 2.890
44 HE2 TYR 5 HE1 TYR 5 -5.356 -8.662 1.811
45 HH TYR 5 HH TYR 5 -7.848 -7.613 2.485
46 HB2 TYR 5 1HB TYR 5 -2.562 -5.698 -0.622
47 HB3 TYR 5 2HB TYR 5 -2.020 -4.857 0.817
48 H ALA 6 H ALA 6 -1.132 -2.162 -0.823
49 HA ALA 6 HA ALA 6 -0.440 -3.310 -3.388
50 HB1 ALA 6 3HB ALA 6 -1.358 -0.442 -3.006
51 HB2 ALA 6 1HB ALA 6 -0.323 -0.941 -4.366
52 HB3 ALA 6 2HB ALA 6 -1.948 -1.644 -4.179
53 H TYR 7 H TYR 7 1.750 -2.571 -4.088
54 HA TYR 7 HA TYR 7 3.339 -1.909 -1.714
55 HD1 TYR 7 HD2 TYR 7 3.346 -4.375 -1.110
56 HD2 TYR 7 HD1 TYR 7 3.426 -4.878 -5.358
57 HE1 TYR 7 HE2 TYR 7 2.269 -6.664 -0.866
58 HE2 TYR 7 HE1 TYR 7 2.349 -7.166 -5.100
59 HH TYR 7 HH TYR 7 0.744 -8.189 -3.150
60 HB2 TYR 7 1HB TYR 7 4.259 -2.919 -4.458
61 HB3 TYR 7 2HB TYR 7 5.077 -3.136 -2.924
62 H VAL 8 H VAL 8 5.011 -0.319 -1.821
63 HA VAL 8 HA VAL 8 5.015 1.335 -4.227
64 HB VAL 8 HB VAL 8 3.413 2.433 -2.878
65 HG11 VAL 8 1HG1 VAL 8 4.319 1.168 -0.745
66 HG12 VAL 8 2HG1 VAL 8 5.230 2.678 -0.503
67 HG13 VAL 8 3HG1 VAL 8 3.453 2.715 -0.590
68 HG21 VAL 8 3HG2 VAL 8 6.090 3.802 -2.445
69 HG22 VAL 8 1HG2 VAL 8 5.094 3.897 -3.918
70 HG23 VAL 8 2HG2 VAL 8 4.490 4.580 -2.389
71 H ARG 9 H ARG 9 6.940 2.825 -4.261
72 HA ARG 9 HA ARG 9 9.149 1.373 -3.130
73 HE ARG 9 HE ARG 9 12.082 1.381 -4.910
74 HB2 ARG 9 1HB ARG 9 9.656 1.854 -5.362
75 HB3 ARG 9 2HB ARG 9 8.764 3.363 -5.354
76 HG2 ARG 9 1HG ARG 9 10.537 4.577 -4.404
77 HG3 ARG 9 2HG ARG 9 11.223 3.170 -3.616
78 HD2 ARG 9 1HD ARG 9 11.175 3.380 -6.652
79 HD3 ARG 9 2HD ARG 9 12.449 4.143 -5.722
80 HH11 ARG 9 1HH1 ARG 9 13.547 3.402 -7.424
81 HH12 ARG 9 2HH1 ARG 9 14.747 2.227 -7.844
82 HH21 ARG 9 1HH2 ARG 9 13.623 -0.124 -5.451
83 HH22 ARG 9 2HH2 ARG 9 14.799 0.133 -6.678
84 H ILE 10 H ILE 10 9.708 1.977 -1.050
85 HA ILE 10 HA ILE 10 9.938 4.857 -0.555
86 HB ILE 10 HB ILE 10 8.561 2.770 1.105
87 HG12 ILE 10 1HG1 ILE 10 7.660 4.788 -0.590
88 HG13 ILE 10 2HG1 ILE 10 6.711 3.882 0.571
89 HG21 ILE 10 1HG2 ILE 10 8.539 4.501 2.949
90 HG22 ILE 10 2HG2 ILE 10 10.088 3.666 2.678
91 HG23 ILE 10 3HG2 ILE 10 9.853 5.325 2.076
92 HD11 ILE 10 3HD1 ILE 10 6.617 6.446 0.774
93 HD12 ILE 10 1HD1 ILE 10 6.981 5.556 2.272
94 HD13 ILE 10 2HD1 ILE 10 8.291 6.358 1.374
95 H ARG 11 H ARG 11 11.908 5.464 0.207
96 HA ARG 11 HA ARG 11 13.940 5.347 0.929
97 HE ARG 11 HE ARG 11 14.098 3.766 6.302
98 HB2 ARG 11 1HB ARG 11 12.667 3.103 2.477
99 HB3 ARG 11 2HB ARG 11 14.419 3.145 2.473
100 HG2 ARG 11 1HG ARG 11 14.521 5.194 3.607
101 HG3 ARG 11 2HG ARG 11 12.965 5.731 3.006
102 HD2 ARG 11 1HD ARG 11 11.910 4.928 4.853
103 HD3 ARG 11 2HD ARG 11 12.577 3.328 4.595
104 HH11 ARG 11 1HH1 ARG 11 13.103 6.865 4.901
105 HH12 ARG 11 2HH1 ARG 11 14.027 7.809 6.021
106 HH21 ARG 11 1HH2 ARG 11 15.281 4.981 7.737
107 HH22 ARG 11 2HH2 ARG 11 15.320 6.699 7.706
108 H GLY 12 H GLY 12 13.311 4.195 -1.652
109 HA3 GLY 12 2HA GLY 12 15.719 2.875 -2.249
110 H VAL 13 H VAL 13 12.724 1.719 -0.882
111 HA VAL 13 HA VAL 13 13.409 -1.017 -1.701
112 HB VAL 13 HB VAL 13 12.353 -0.351 1.029
113 HG11 VAL 13 1HG1 VAL 13 13.362 -2.714 -0.397
114 HG12 VAL 13 2HG1 VAL 13 14.084 -2.491 1.215
115 HG13 VAL 13 3HG1 VAL 13 12.316 -2.598 1.039
116 HG21 VAL 13 3HG2 VAL 13 15.016 -0.738 1.499
117 HG22 VAL 13 1HG2 VAL 13 15.063 0.204 -0.011
118 HG23 VAL 13 2HG2 VAL 13 14.222 0.853 1.418
119 H LEU 14 H LEU 14 11.515 -2.544 -1.463
120 HA LEU 14 HA LEU 14 9.094 -1.094 -2.231
121 HG LEU 14 HG LEU 14 7.640 -3.910 -3.741
122 HB2 LEU 14 1HB LEU 14 10.316 -2.913 -3.651
123 HB3 LEU 14 2HB LEU 14 9.520 -4.041 -2.572
124 HD11 LEU 14 1HD1 LEU 14 7.116 -1.918 -2.325
125 HD12 LEU 14 2HD1 LEU 14 7.720 -0.885 -3.643
126 HD13 LEU 14 3HD1 LEU 14 6.304 -1.932 -3.909
127 HD21 LEU 14 3HD2 LEU 14 9.112 -3.731 -5.658
128 HD22 LEU 14 1HD2 LEU 14 7.628 -2.790 -5.937
129 HD23 LEU 14 2HD2 LEU 14 9.142 -1.958 -5.506
130 H VAL 15 H VAL 15 7.638 -0.750 -0.649
131 HA VAL 15 HA VAL 15 7.423 -2.838 1.409
132 HB VAL 15 HB VAL 15 6.644 0.005 1.907
133 HG11 VAL 15 1HG1 VAL 15 6.496 -2.250 3.422
134 HG12 VAL 15 2HG1 VAL 15 8.080 -1.615 3.930
135 HG13 VAL 15 3HG1 VAL 15 6.624 -0.604 4.086
136 HG21 VAL 15 3HG2 VAL 15 8.857 0.271 0.968
137 HG22 VAL 15 1HG2 VAL 15 8.951 0.473 2.734
138 HG23 VAL 15 2HG2 VAL 15 9.492 -1.047 1.983
139 H ARG 16 H ARG 16 5.291 -3.385 2.120
140 HA ARG 16 HA ARG 16 3.344 -2.774 0.082
141 HE ARG 16 HE ARG 16 4.975 -7.232 2.715
142 HB2 ARG 16 1HB ARG 16 2.785 -4.675 2.364
143 HB3 ARG 16 2HB ARG 16 2.262 -4.777 0.695
144 HG2 ARG 16 1HG ARG 16 4.745 -5.152 0.078
145 HG3 ARG 16 2HG ARG 16 5.048 -5.346 1.793
146 HD2 ARG 16 1HD ARG 16 2.753 -6.969 1.085
147 HD3 ARG 16 2HD ARG 16 4.040 -7.305 -0.056
148 HH11 ARG 16 1HH1 ARG 16 3.524 -9.289 0.222
149 HH12 ARG 16 2HH1 ARG 16 4.072 -10.765 0.946
150 HH21 ARG 16 1HH2 ARG 16 5.676 -9.127 3.640
151 HH22 ARG 16 2HH2 ARG 16 5.348 -10.676 2.972
152 H TYR 17 H TYR 17 1.171 -2.010 0.641
153 HA TYR 17 HA TYR 17 0.734 -1.180 3.385
154 HD1 TYR 17 HD2 TYR 17 2.620 0.291 -0.161
155 HD2 TYR 17 HD1 TYR 17 -1.316 1.555 0.939
156 HE1 TYR 17 HE2 TYR 17 2.140 0.923 -2.577
157 HE2 TYR 17 HE1 TYR 17 -1.783 2.183 -1.481
158 HH TYR 17 HH TYR 17 -0.881 2.525 -3.454
159 HB2 TYR 17 1HB TYR 17 0.410 1.181 2.636
160 HB3 TYR 17 2HB TYR 17 2.023 0.664 2.186
161 H ARG 18 H ARG 18 -1.525 -0.099 3.558
162 HA ARG 18 HA ARG 18 -3.243 -1.267 1.522
163 HE ARG 18 HE ARG 18 -5.360 -3.266 4.799
164 HB2 ARG 18 1HB ARG 18 -3.884 -1.164 4.510
165 HB3 ARG 18 2HB ARG 18 -4.847 -1.936 3.266
166 HG2 ARG 18 1HG ARG 18 -3.310 -3.708 2.974
167 HG3 ARG 18 2HG ARG 18 -1.964 -2.786 3.615
168 HD2 ARG 18 1HD ARG 18 -3.034 -4.658 5.117
169 HD3 ARG 18 2HD ARG 18 -2.612 -3.128 5.860
170 HH11 ARG 18 1HH1 ARG 18 -3.276 -3.694 7.633
171 HH12 ARG 18 2HH1 ARG 18 -4.577 -3.543 8.766
172 HH21 ARG 18 1HH2 ARG 18 -7.026 -3.073 6.257
173 HH22 ARG 18 2HH2 ARG 18 -6.803 -3.175 7.958
174 H ARG 19 H ARG 19 -4.857 0.122 0.756
175 HA ARG 19 HA ARG 19 -5.208 2.570 2.291
176 HE ARG 19 HE ARG 19 -5.176 5.463 0.705
177 HB2 ARG 19 1HB ARG 19 -4.851 2.192 -0.710
178 HB3 ARG 19 2HB ARG 19 -5.647 3.620 -0.078
179 HG2 ARG 19 1HG ARG 19 -3.450 3.639 1.521
180 HG3 ARG 19 2HG ARG 19 -2.767 2.789 0.148
181 HD2 ARG 19 1HD ARG 19 -2.383 5.168 -0.194
182 HD3 ARG 19 2HD ARG 19 -3.586 4.654 -1.361
183 HH11 ARG 19 1HH1 ARG 19 -2.406 7.032 -0.849
184 HH12 ARG 19 2HH1 ARG 19 -2.973 8.636 -0.521
185 HH21 ARG 19 1HH2 ARG 19 -5.899 7.521 1.123
186 HH22 ARG 19 2HH2 ARG 19 -5.044 8.933 0.647
187 H CYS 20 H CYS 20 -7.365 3.691 1.783
188 HA CYS 20 HA CYS 20 -9.358 1.670 1.048
189 HB2 CYS 20 1HB CYS 20 -9.563 3.842 3.142
190 HB3 CYS 20 2HB CYS 20 -10.905 2.855 2.600
191 H TRP 21 H TRP 21 -11.337 2.612 0.006
192 HA TRP 21 HA TRP 21 -10.625 4.526 -1.942
193 HD1 TRP 21 1HD TRP 21 -15.128 4.293 -3.098
194 HE1 TRP 21 HE1 TRP 21 -17.117 4.802 -1.440
195 HE3 TRP 21 HE3 TRP 21 -12.440 3.617 1.164
196 HZ2 TRP 21 HZ2 TRP 21 -17.337 4.865 1.405
197 HZ3 TRP 21 HZ3 TRP 21 -13.617 3.922 3.340
198 HH2 TRP 21 2HH TRP 21 -15.980 4.524 3.503
199 HB2 TRP 21 1HB TRP 21 -12.525 3.919 -2.965
200 HB3 TRP 21 2HB TRP 21 -12.415 2.559 -1.866
Start of MODEL 7
1 HA ARG 1 HA ARG 1 -15.531 2.333 1.320
2 HE ARG 1 HE ARG 1 -19.398 2.583 -0.495
3 H1 ARG 1 1H ARG 1 -16.858 2.799 -0.506
4 H2 ARG 1 2H ARG 1 -15.471 2.024 -0.964
5 H3 ARG 1 3H ARG 1 -16.908 1.205 -0.950
6 HB2 ARG 1 1HB ARG 1 -17.251 1.218 2.714
7 HB3 ARG 1 2HB ARG 1 -18.012 2.323 1.586
8 HG2 ARG 1 1HG ARG 1 -17.747 -0.250 0.288
9 HG3 ARG 1 2HG ARG 1 -18.453 -0.507 1.872
10 HD2 ARG 1 1HD ARG 1 -20.283 -0.097 0.332
11 HD3 ARG 1 2HD ARG 1 -20.144 1.320 1.355
12 HH11 ARG 1 1HH1 ARG 1 -19.468 -0.857 -1.341
13 HH12 ARG 1 2HH1 ARG 1 -19.229 -0.573 -3.033
14 HH21 ARG 1 1HH2 ARG 1 -19.091 2.943 -2.666
15 HH22 ARG 1 2HH2 ARG 1 -19.005 1.678 -3.825
16 H TRP 2 H TRP 2 -13.757 1.017 -0.013
17 HA TRP 2 HA TRP 2 -13.580 -1.567 1.281
18 HD1 TRP 2 HD1 TRP 2 -11.562 -3.268 -2.251
19 HE1 TRP 2 HE1 TRP 2 -10.554 -2.074 -4.377
20 HE3 TRP 2 HE3 TRP 2 -14.487 0.880 -1.957
21 HZ2 TRP 2 HZ2 TRP 2 -11.081 0.415 -5.669
22 HZ3 TRP 2 HZ3 TRP 2 -14.178 2.645 -3.690
23 HH2 TRP 2 HH2 TRP 2 -12.545 2.462 -5.500
24 HB2 TRP 2 1HB TRP 2 -13.519 -2.906 -0.548
25 HB3 TRP 2 2HB TRP 2 -14.725 -1.744 -1.063
26 H CYS 3 H CYS 3 -11.296 -2.387 1.139
27 HA CYS 3 HA CYS 3 -9.443 -0.219 0.475
28 HB2 CYS 3 1HB CYS 3 -9.020 -2.066 2.816
29 HB3 CYS 3 2HB CYS 3 -8.160 -0.592 2.419
30 H VAL 4 H VAL 4 -7.338 -0.983 -0.292
31 HA VAL 4 HA VAL 4 -7.181 -3.858 -0.787
32 HB VAL 4 HB VAL 4 -6.641 -3.531 -3.097
33 HG11 VAL 4 1HG1 VAL 4 -9.150 -1.919 -2.550
34 HG12 VAL 4 2HG1 VAL 4 -8.786 -2.929 -3.970
35 HG13 VAL 4 3HG1 VAL 4 -9.056 -3.689 -2.382
36 HG21 VAL 4 3HG2 VAL 4 -5.592 -1.224 -2.681
37 HG22 VAL 4 1HG2 VAL 4 -6.475 -1.461 -4.208
38 HG23 VAL 4 2HG2 VAL 4 -7.240 -0.577 -2.866
39 H TYR 5 H TYR 5 -4.984 -4.616 -1.121
40 HA TYR 5 HA TYR 5 -3.066 -2.806 0.140
41 HD1 TYR 5 HD2 TYR 5 -4.834 -3.709 1.560
42 HD2 TYR 5 HD1 TYR 5 -3.508 -7.634 0.494
43 HE1 TYR 5 HE2 TYR 5 -6.758 -4.724 2.875
44 HE2 TYR 5 HE1 TYR 5 -5.437 -8.636 1.813
45 HH TYR 5 HH TYR 5 -7.994 -7.371 2.502
46 HB2 TYR 5 1HB TYR 5 -2.591 -5.715 -0.609
47 HB3 TYR 5 2HB TYR 5 -2.051 -4.869 0.827
48 H ALA 6 H ALA 6 -1.145 -2.172 -0.837
49 HA ALA 6 HA ALA 6 -0.430 -3.357 -3.378
50 HB1 ALA 6 3HB ALA 6 -0.278 -0.621 -3.932
51 HB2 ALA 6 1HB ALA 6 -1.475 -1.765 -4.584
52 HB3 ALA 6 2HB ALA 6 -1.856 -0.812 -3.130
53 H TYR 7 H TYR 7 1.761 -2.609 -4.078
54 HA TYR 7 HA TYR 7 3.334 -1.922 -1.701
55 HD1 TYR 7 HD2 TYR 7 3.371 -4.408 -1.093
56 HD2 TYR 7 HD1 TYR 7 3.430 -4.880 -5.345
57 HE1 TYR 7 HE2 TYR 7 2.299 -6.702 -0.861
58 HE2 TYR 7 HE1 TYR 7 2.358 -7.172 -5.098
59 HH TYR 7 HH TYR 7 1.690 -8.706 -3.730
60 HB2 TYR 7 1HB TYR 7 4.281 -2.934 -4.434
61 HB3 TYR 7 2HB TYR 7 5.082 -3.148 -2.890
62 H VAL 8 H VAL 8 5.019 -0.337 -1.822
63 HA VAL 8 HA VAL 8 5.012 1.314 -4.229
64 HB VAL 8 HB VAL 8 3.405 2.411 -2.884
65 HG11 VAL 8 1HG1 VAL 8 3.434 2.685 -0.599
66 HG12 VAL 8 2HG1 VAL 8 4.332 1.155 -0.746
67 HG13 VAL 8 3HG1 VAL 8 5.211 2.684 -0.508
68 HG21 VAL 8 3HG2 VAL 8 5.155 3.843 -3.927
69 HG22 VAL 8 1HG2 VAL 8 4.432 4.565 -2.469
70 HG23 VAL 8 2HG2 VAL 8 6.047 3.822 -2.387
71 H ARG 9 H ARG 9 6.929 2.818 -4.259
72 HA ARG 9 HA ARG 9 9.144 1.373 -3.132
73 HE ARG 9 HE ARG 9 10.611 5.458 -6.163
74 HB2 ARG 9 1HB ARG 9 9.645 1.864 -5.364
75 HB3 ARG 9 2HB ARG 9 8.753 3.371 -5.348
76 HG2 ARG 9 1HG ARG 9 10.517 4.533 -4.191
77 HG3 ARG 9 2HG ARG 9 11.315 3.039 -3.740
78 HD2 ARG 9 1HD ARG 9 12.644 3.521 -5.560
79 HD3 ARG 9 2HD ARG 9 11.355 2.735 -6.449
80 HH11 ARG 9 1HH1 ARG 9 13.150 3.578 -7.766
81 HH12 ARG 9 2HH1 ARG 9 13.381 4.737 -9.032
82 HH21 ARG 9 1HH2 ARG 9 10.911 6.942 -7.789
83 HH22 ARG 9 2HH2 ARG 9 12.057 6.734 -9.052
84 H ILE 10 H ILE 10 9.696 1.973 -1.048
85 HA ILE 10 HA ILE 10 9.913 4.853 -0.545
86 HB ILE 10 HB ILE 10 8.576 2.752 1.138
87 HG12 ILE 10 1HG1 ILE 10 7.737 5.051 -0.444
88 HG13 ILE 10 2HG1 ILE 10 6.796 3.714 0.188
89 HG21 ILE 10 1HG2 ILE 10 8.566 4.294 3.018
90 HG22 ILE 10 2HG2 ILE 10 10.235 3.882 2.558
91 HG23 ILE 10 3HG2 ILE 10 9.548 5.458 2.097
92 HD11 ILE 10 3HD1 ILE 10 6.050 5.866 1.166
93 HD12 ILE 10 1HD1 ILE 10 6.720 4.800 2.424
94 HD13 ILE 10 2HD1 ILE 10 7.690 6.153 1.795
95 H ARG 11 H ARG 11 11.881 5.468 0.217
96 HA ARG 11 HA ARG 11 13.914 5.359 0.937
97 HE ARG 11 HE ARG 11 11.713 5.481 5.157
98 HB2 ARG 11 1HB ARG 11 12.670 3.082 2.471
99 HB3 ARG 11 2HB ARG 11 14.420 3.183 2.488
100 HG2 ARG 11 1HG ARG 11 14.277 5.552 3.280
101 HG3 ARG 11 2HG ARG 11 12.528 5.456 3.259
102 HD2 ARG 11 1HD ARG 11 13.386 3.194 4.764
103 HD3 ARG 11 2HD ARG 11 14.393 4.522 5.307
104 HH11 ARG 11 1HH1 ARG 11 13.620 3.179 7.059
105 HH12 ARG 11 2HH1 ARG 11 12.630 3.336 8.471
106 HH21 ARG 11 1HH2 ARG 11 10.445 5.678 6.970
107 HH22 ARG 11 2HH2 ARG 11 10.746 4.816 8.426
108 H GLY 12 H GLY 12 13.289 4.208 -1.645
109 HA3 GLY 12 2HA GLY 12 15.703 2.900 -2.246
110 H VAL 13 H VAL 13 12.712 1.728 -0.881
111 HA VAL 13 HA VAL 13 13.410 -1.003 -1.705
112 HB VAL 13 HB VAL 13 12.358 -0.345 1.029
113 HG11 VAL 13 1HG1 VAL 13 13.510 -2.694 -0.379
114 HG12 VAL 13 2HG1 VAL 13 14.001 -2.474 1.318
115 HG13 VAL 13 3HG1 VAL 13 12.276 -2.610 0.901
116 HG21 VAL 13 3HG2 VAL 13 14.226 0.863 1.413
117 HG22 VAL 13 1HG2 VAL 13 15.022 -0.728 1.492
118 HG23 VAL 13 2HG2 VAL 13 15.065 0.215 -0.017
119 H LEU 14 H LEU 14 11.524 -2.539 -1.464
120 HA LEU 14 HA LEU 14 9.096 -1.101 -2.232
121 HG LEU 14 HG LEU 14 7.651 -3.930 -3.729
122 HB2 LEU 14 1HB LEU 14 10.322 -2.920 -3.646
123 HB3 LEU 14 2HB LEU 14 9.532 -4.047 -2.561
124 HD11 LEU 14 1HD1 LEU 14 7.715 -0.904 -3.640
125 HD12 LEU 14 2HD1 LEU 14 6.305 -1.958 -3.900
126 HD13 LEU 14 3HD1 LEU 14 7.119 -1.936 -2.318
127 HD21 LEU 14 3HD2 LEU 14 9.113 -3.752 -5.651
128 HD22 LEU 14 1HD2 LEU 14 7.630 -2.808 -5.927
129 HD23 LEU 14 2HD2 LEU 14 9.146 -1.978 -5.501
130 H VAL 15 H VAL 15 7.646 -0.751 -0.645
131 HA VAL 15 HA VAL 15 7.438 -2.834 1.420
132 HB VAL 15 HB VAL 15 6.654 0.012 1.902
133 HG11 VAL 15 1HG1 VAL 15 6.054 -1.476 3.646
134 HG12 VAL 15 2HG1 VAL 15 7.629 -2.303 3.592
135 HG13 VAL 15 3HG1 VAL 15 7.518 -0.639 4.214
136 HG21 VAL 15 3HG2 VAL 15 8.939 0.522 2.702
137 HG22 VAL 15 1HG2 VAL 15 9.502 -1.035 2.049
138 HG23 VAL 15 2HG2 VAL 15 8.887 0.222 0.948
139 H ARG 16 H ARG 16 5.311 -3.392 2.129
140 HA ARG 16 HA ARG 16 3.360 -2.800 0.091
141 HE ARG 16 HE ARG 16 5.002 -7.052 -0.800
142 HB2 ARG 16 1HB ARG 16 2.806 -4.680 2.393
143 HB3 ARG 16 2HB ARG 16 2.284 -4.801 0.724
144 HG2 ARG 16 1HG ARG 16 4.761 -5.182 0.107
145 HG3 ARG 16 2HG ARG 16 5.077 -5.340 1.824
146 HD2 ARG 16 1HD ARG 16 4.253 -7.464 1.869
147 HD3 ARG 16 2HD ARG 16 2.775 -6.983 1.060
148 HH11 ARG 16 1HH1 ARG 16 2.684 -9.134 0.888
149 HH12 ARG 16 2HH1 ARG 16 2.763 -10.394 -0.298
150 HH21 ARG 16 1HH2 ARG 16 5.100 -8.671 -2.319
151 HH22 ARG 16 2HH2 ARG 16 4.193 -10.125 -2.202
152 H TYR 17 H TYR 17 1.191 -2.025 0.636
153 HA TYR 17 HA TYR 17 0.744 -1.178 3.372
154 HD1 TYR 17 HD1 TYR 17 -1.307 1.547 0.936
155 HD2 TYR 17 HD2 TYR 17 2.619 0.281 -0.197
156 HE1 TYR 17 HE1 TYR 17 -1.796 2.171 -1.480
157 HE2 TYR 17 HE2 TYR 17 2.117 0.909 -2.609
158 HH TYR 17 HH TYR 17 -0.744 2.680 -3.453
159 HB2 TYR 17 1HB TYR 17 0.439 1.179 2.618
160 HB3 TYR 17 2HB TYR 17 2.044 0.653 2.153
161 H ARG 18 H ARG 18 -1.515 -0.083 3.523
162 HA ARG 18 HA ARG 18 -3.225 -1.248 1.480
163 HE ARG 18 HE ARG 18 -5.523 -3.631 3.952
164 HB2 ARG 18 1HB ARG 18 -3.848 -1.188 4.475
165 HB3 ARG 18 2HB ARG 18 -4.844 -1.912 3.228
166 HG2 ARG 18 1HG ARG 18 -3.110 -3.583 2.730
167 HG3 ARG 18 2HG ARG 18 -1.982 -2.798 3.816
168 HD2 ARG 18 1HD ARG 18 -3.227 -4.873 4.735
169 HD3 ARG 18 2HD ARG 18 -3.199 -3.455 5.763
170 HH11 ARG 18 1HH1 ARG 18 -4.250 -4.310 7.188
171 HH12 ARG 18 2HH1 ARG 18 -5.817 -4.426 7.916
172 HH21 ARG 18 1HH2 ARG 18 -7.532 -3.781 4.890
173 HH22 ARG 18 2HH2 ARG 18 -7.768 -4.113 6.559
174 H ARG 19 H ARG 19 -4.855 0.139 0.736
175 HA ARG 19 HA ARG 19 -5.203 2.576 2.290
176 HE ARG 19 HE ARG 19 -5.177 5.482 0.731
177 HB2 ARG 19 1HB ARG 19 -4.852 2.223 -0.716
178 HB3 ARG 19 2HB ARG 19 -5.648 3.644 -0.070
179 HG2 ARG 19 1HG ARG 19 -3.447 3.652 1.524
180 HG3 ARG 19 2HG ARG 19 -2.767 2.816 0.142
181 HD2 ARG 19 1HD ARG 19 -2.387 5.197 -0.182
182 HD3 ARG 19 2HD ARG 19 -3.594 4.693 -1.348
183 HH11 ARG 19 1HH1 ARG 19 -2.411 7.067 -0.817
184 HH12 ARG 19 2HH1 ARG 19 -2.978 8.668 -0.472
185 HH21 ARG 19 1HH2 ARG 19 -5.899 7.536 1.171
186 HH22 ARG 19 2HH2 ARG 19 -5.045 8.953 0.706
187 H CYS 20 H CYS 20 -7.363 3.697 1.794
188 HA CYS 20 HA CYS 20 -9.355 1.677 1.056
189 HB2 CYS 20 1HB CYS 20 -9.556 3.849 3.151
190 HB3 CYS 20 2HB CYS 20 -10.901 2.865 2.609
191 H TRP 21 H TRP 21 -11.336 2.618 0.017
192 HA TRP 21 HA TRP 21 -10.628 4.532 -1.933
193 HD1 TRP 21 1HD TRP 21 -15.135 4.291 -3.082
194 HE1 TRP 21 HE1 TRP 21 -17.120 4.801 -1.420
195 HE3 TRP 21 HE3 TRP 21 -12.437 3.627 1.176
196 HZ2 TRP 21 HZ2 TRP 21 -17.335 4.868 1.424
197 HZ3 TRP 21 HZ3 TRP 21 -13.610 3.933 3.354
198 HH2 TRP 21 2HH TRP 21 -15.974 4.532 3.521
199 HB2 TRP 21 1HB TRP 21 -12.530 3.923 -2.953
200 HB3 TRP 21 2HB TRP 21 -12.417 2.563 -1.854
Start of MODEL 8
1 HA ARG 1 HA ARG 1 -15.839 1.815 1.417
2 HE ARG 1 HE ARG 1 -18.907 -0.399 5.643
3 H1 ARG 1 1H ARG 1 -17.149 2.368 -0.397
4 H2 ARG 1 2H ARG 1 -15.718 1.695 -0.882
5 H3 ARG 1 3H ARG 1 -17.115 0.814 -0.968
6 HB2 ARG 1 1HB ARG 1 -18.319 1.675 1.628
7 HB3 ARG 1 2HB ARG 1 -18.287 0.007 1.089
8 HG2 ARG 1 1HG ARG 1 -17.560 -0.783 3.125
9 HG3 ARG 1 2HG ARG 1 -16.479 0.572 3.385
10 HD2 ARG 1 1HD ARG 1 -18.378 2.018 4.038
11 HD3 ARG 1 2HD ARG 1 -19.519 0.743 3.660
12 HH11 ARG 1 1HH1 ARG 1 -16.745 2.355 5.096
13 HH12 ARG 1 2HH1 ARG 1 -16.051 2.283 6.681
14 HH21 ARG 1 1HH2 ARG 1 -18.013 -0.487 7.675
15 HH22 ARG 1 2HH2 ARG 1 -16.798 0.600 8.215
16 H TRP 2 H TRP 2 -13.994 0.684 -0.012
17 HA TRP 2 HA TRP 2 -13.704 -1.975 1.098
18 HD1 TRP 2 HD1 TRP 2 -11.589 -3.322 -2.523
19 HE1 TRP 2 HE1 TRP 2 -10.634 -1.938 -4.557
20 HE3 TRP 2 HE3 TRP 2 -14.726 0.643 -1.976
21 HZ2 TRP 2 HZ2 TRP 2 -11.283 0.603 -5.683
22 HZ3 TRP 2 HZ3 TRP 2 -14.499 2.534 -3.585
23 HH2 TRP 2 HH2 TRP 2 -12.851 2.556 -5.390
24 HB2 TRP 2 1HB TRP 2 -13.575 -3.177 -0.820
25 HB3 TRP 2 2HB TRP 2 -14.832 -2.038 -1.260
26 H CYS 3 H CYS 3 -11.385 -2.677 0.921
27 HA CYS 3 HA CYS 3 -9.629 -0.391 0.411
28 HB2 CYS 3 1HB CYS 3 -9.158 -2.357 2.646
29 HB3 CYS 3 2HB CYS 3 -8.333 -0.842 2.338
30 H VAL 4 H VAL 4 -7.467 -1.024 -0.348
31 HA VAL 4 HA VAL 4 -7.196 -3.849 -1.036
32 HB VAL 4 HB VAL 4 -6.584 -3.313 -3.309
33 HG11 VAL 4 1HG1 VAL 4 -9.022 -3.676 -2.584
34 HG12 VAL 4 2HG1 VAL 4 -9.224 -1.923 -2.816
35 HG13 VAL 4 3HG1 VAL 4 -8.741 -2.952 -4.186
36 HG21 VAL 4 3HG2 VAL 4 -6.594 -1.151 -4.257
37 HG22 VAL 4 1HG2 VAL 4 -7.447 -0.448 -2.862
38 HG23 VAL 4 2HG2 VAL 4 -5.751 -0.966 -2.701
39 H TYR 5 H TYR 5 -4.941 -4.462 -1.485
40 HA TYR 5 HA TYR 5 -3.138 -2.770 0.058
41 HD1 TYR 5 HD1 TYR 5 -4.868 -4.020 1.231
42 HD2 TYR 5 HD2 TYR 5 -3.234 -7.607 -0.435
43 HE1 TYR 5 HE1 TYR 5 -6.722 -5.379 2.318
44 HE2 TYR 5 HE2 TYR 5 -5.093 -8.953 0.658
45 HH TYR 5 HH TYR 5 -7.285 -7.477 2.940
46 HB2 TYR 5 1HB TYR 5 -2.473 -5.457 -1.201
47 HB3 TYR 5 2HB TYR 5 -1.989 -4.854 0.371
48 H ALA 6 H ALA 6 -1.160 -1.976 -0.738
49 HA ALA 6 HA ALA 6 -0.468 -2.557 -3.487
50 HB1 ALA 6 3HB ALA 6 -1.886 -0.774 -4.023
51 HB2 ALA 6 1HB ALA 6 -1.521 0.101 -2.517
52 HB3 ALA 6 2HB ALA 6 -0.316 0.040 -3.825
53 H TYR 7 H TYR 7 1.717 -1.657 -4.020
54 HA TYR 7 HA TYR 7 3.266 -1.229 -1.553
55 HD1 TYR 7 HD2 TYR 7 3.841 -4.041 -0.847
56 HD2 TYR 7 HD1 TYR 7 2.557 -4.016 -4.929
57 HE1 TYR 7 HE2 TYR 7 2.613 -6.238 -0.483
58 HE2 TYR 7 HE1 TYR 7 1.334 -6.212 -4.550
59 HH TYR 7 HH TYR 7 0.541 -7.580 -2.977
60 HB2 TYR 7 1HB TYR 7 4.208 -2.466 -4.198
61 HB3 TYR 7 2HB TYR 7 4.971 -2.626 -2.629
62 H VAL 8 H VAL 8 5.060 0.227 -1.674
63 HA VAL 8 HA VAL 8 5.194 1.792 -4.146
64 HB VAL 8 HB VAL 8 3.936 3.280 -2.995
65 HG11 VAL 8 1HG1 VAL 8 3.567 1.834 -1.045
66 HG12 VAL 8 2HG1 VAL 8 5.147 2.314 -0.381
67 HG13 VAL 8 3HG1 VAL 8 3.849 3.521 -0.553
68 HG21 VAL 8 3HG2 VAL 8 6.699 3.808 -1.848
69 HG22 VAL 8 1HG2 VAL 8 6.060 4.395 -3.402
70 HG23 VAL 8 2HG2 VAL 8 5.355 4.975 -1.874
71 H ARG 9 H ARG 9 7.266 2.921 -4.422
72 HA ARG 9 HA ARG 9 9.347 1.335 -3.244
73 HE ARG 9 HE ARG 9 11.374 4.994 -6.663
74 HB2 ARG 9 1HB ARG 9 9.827 1.576 -5.512
75 HB3 ARG 9 2HB ARG 9 9.067 3.151 -5.618
76 HG2 ARG 9 1HG ARG 9 10.968 4.272 -4.708
77 HG3 ARG 9 2HG ARG 9 11.629 2.799 -4.028
78 HD2 ARG 9 1HD ARG 9 12.961 2.791 -5.894
79 HD3 ARG 9 2HD ARG 9 11.557 2.114 -6.694
80 HH11 ARG 9 1HH1 ARG 9 13.087 2.347 -8.280
81 HH12 ARG 9 2HH1 ARG 9 13.369 3.251 -9.731
82 HH21 ARG 9 1HH2 ARG 9 11.738 6.149 -8.526
83 HH22 ARG 9 2HH2 ARG 9 12.571 5.505 -9.883
84 H ILE 10 H ILE 10 10.082 2.026 -1.248
85 HA ILE 10 HA ILE 10 10.764 4.859 -1.023
86 HB ILE 10 HB ILE 10 9.048 3.266 0.868
87 HG12 ILE 10 1HG1 ILE 10 8.433 5.063 -1.166
88 HG13 ILE 10 2HG1 ILE 10 7.368 4.512 0.111
89 HG21 ILE 10 1HG2 ILE 10 10.893 4.323 2.136
90 HG22 ILE 10 2HG2 ILE 10 10.412 5.903 1.473
91 HG23 ILE 10 3HG2 ILE 10 9.295 5.003 2.527
92 HD11 ILE 10 3HD1 ILE 10 7.423 6.974 0.060
93 HD12 ILE 10 1HD1 ILE 10 8.155 6.386 1.573
94 HD13 ILE 10 2HD1 ILE 10 9.193 6.957 0.244
95 H ARG 11 H ARG 11 12.758 5.207 -0.122
96 HA ARG 11 HA ARG 11 14.710 4.792 0.705
97 HE ARG 11 HE ARG 11 16.165 5.498 3.669
98 HB2 ARG 11 1HB ARG 11 13.097 2.724 2.230
99 HB3 ARG 11 2HB ARG 11 14.841 2.735 2.403
100 HG2 ARG 11 1HG ARG 11 14.270 5.425 2.694
101 HG3 ARG 11 2HG ARG 11 12.827 4.704 3.379
102 HD2 ARG 11 1HD ARG 11 14.089 4.582 5.295
103 HD3 ARG 11 2HD ARG 11 14.732 3.126 4.561
104 HH11 ARG 11 1HH1 ARG 11 15.914 3.170 6.329
105 HH12 ARG 11 2HH1 ARG 11 17.542 3.421 6.866
106 HH21 ARG 11 1HH2 ARG 11 18.252 5.816 4.361
107 HH22 ARG 11 2HH2 ARG 11 18.933 4.988 5.703
108 H GLY 12 H GLY 12 13.994 3.634 -1.858
109 HA3 GLY 12 2HA GLY 12 16.181 1.941 -2.313
110 H VAL 13 H VAL 13 13.019 1.300 -0.976
111 HA VAL 13 HA VAL 13 13.289 -1.539 -1.661
112 HB VAL 13 HB VAL 13 12.472 -0.565 1.067
113 HG11 VAL 13 1HG1 VAL 13 11.821 -2.823 0.632
114 HG12 VAL 13 2HG1 VAL 13 13.413 -3.219 -0.057
115 HG13 VAL 13 3HG1 VAL 13 13.255 -2.887 1.684
116 HG21 VAL 13 3HG2 VAL 13 15.031 -1.558 1.388
117 HG22 VAL 13 1HG2 VAL 13 15.163 -0.595 -0.103
118 HG23 VAL 13 2HG2 VAL 13 14.570 0.161 1.396
119 H LEU 14 H LEU 14 11.199 -2.749 -1.359
120 HA LEU 14 HA LEU 14 9.009 -0.978 -2.134
121 HG LEU 14 HG LEU 14 7.097 -3.592 -3.476
122 HB2 LEU 14 1HB LEU 14 9.901 -3.038 -3.473
123 HB3 LEU 14 2HB LEU 14 8.956 -3.967 -2.326
124 HD11 LEU 14 1HD1 LEU 14 6.934 -1.468 -2.167
125 HD12 LEU 14 2HD1 LEU 14 7.668 -0.620 -3.549
126 HD13 LEU 14 3HD1 LEU 14 6.097 -1.435 -3.737
127 HD21 LEU 14 3HD2 LEU 14 7.221 -2.609 -5.731
128 HD22 LEU 14 1HD2 LEU 14 8.854 -2.003 -5.366
129 HD23 LEU 14 2HD2 LEU 14 8.546 -3.755 -5.416
130 H VAL 15 H VAL 15 7.666 -0.333 -0.545
131 HA VAL 15 HA VAL 15 7.387 -2.108 1.767
132 HB VAL 15 HB VAL 15 6.345 0.685 1.703
133 HG11 VAL 15 1HG1 VAL 15 7.396 -1.265 3.724
134 HG12 VAL 15 2HG1 VAL 15 7.518 0.477 4.066
135 HG13 VAL 15 3HG1 VAL 15 5.927 -0.261 3.760
136 HG21 VAL 15 3HG2 VAL 15 8.468 1.086 0.695
137 HG22 VAL 15 1HG2 VAL 15 8.640 1.488 2.421
138 HG23 VAL 15 2HG2 VAL 15 9.284 -0.049 1.796
139 H ARG 16 H ARG 16 5.329 -2.782 2.492
140 HA ARG 16 HA ARG 16 3.334 -2.576 0.405
141 HE ARG 16 HE ARG 16 5.959 -6.870 2.659
142 HB2 ARG 16 1HB ARG 16 3.002 -4.378 2.807
143 HB3 ARG 16 2HB ARG 16 2.487 -4.644 1.154
144 HG2 ARG 16 1HG ARG 16 5.040 -4.721 0.576
145 HG3 ARG 16 2HG ARG 16 5.291 -4.896 2.302
146 HD2 ARG 16 1HD ARG 16 3.218 -6.741 1.646
147 HD3 ARG 16 2HD ARG 16 4.404 -6.897 0.366
148 HH11 ARG 16 1HH1 ARG 16 3.188 -8.814 1.610
149 HH12 ARG 16 2HH1 ARG 16 3.668 -10.211 2.514
150 HH21 ARG 16 1HH2 ARG 16 6.571 -8.665 3.817
151 HH22 ARG 16 2HH2 ARG 16 5.673 -10.130 3.824
152 H TYR 17 H TYR 17 1.190 -1.815 0.850
153 HA TYR 17 HA TYR 17 0.566 -1.024 3.569
154 HD1 TYR 17 HD2 TYR 17 -1.479 1.670 1.113
155 HD2 TYR 17 HD1 TYR 17 2.523 0.560 0.085
156 HE1 TYR 17 HE2 TYR 17 -1.912 2.322 -1.306
157 HE2 TYR 17 HE1 TYR 17 2.076 1.216 -2.330
158 HH TYR 17 HH TYR 17 -0.294 3.132 -3.267
159 HB2 TYR 17 1HB TYR 17 0.223 1.329 2.844
160 HB3 TYR 17 2HB TYR 17 1.860 0.868 2.422
161 H ARG 18 H ARG 18 -1.739 0.033 3.574
162 HA ARG 18 HA ARG 18 -3.292 -1.145 1.424
163 HE ARG 18 HE ARG 18 -5.289 -3.847 4.575
164 HB2 ARG 18 1HB ARG 18 -4.038 -1.291 4.388
165 HB3 ARG 18 2HB ARG 18 -4.970 -1.958 3.063
166 HG2 ARG 18 1HG ARG 18 -3.546 -3.760 2.773
167 HG3 ARG 18 2HG ARG 18 -2.114 -2.840 3.190
168 HD2 ARG 18 1HD ARG 18 -2.485 -4.445 4.975
169 HD3 ARG 18 2HD ARG 18 -2.870 -2.860 5.615
170 HH11 ARG 18 1HH1 ARG 18 -2.977 -4.846 7.067
171 HH12 ARG 18 2HH1 ARG 18 -4.172 -5.649 8.030
172 HH21 ARG 18 1HH2 ARG 18 -6.818 -4.879 5.812
173 HH22 ARG 18 2HH2 ARG 18 -6.452 -5.672 7.291
174 H ARG 19 H ARG 19 -5.036 0.155 0.731
175 HA ARG 19 HA ARG 19 -5.489 2.532 2.348
176 HE ARG 19 HE ARG 19 -5.609 5.471 0.863
177 HB2 ARG 19 1HB ARG 19 -5.146 2.266 -0.667
178 HB3 ARG 19 2HB ARG 19 -6.002 3.634 0.017
179 HG2 ARG 19 1HG ARG 19 -3.791 3.707 1.597
180 HG3 ARG 19 2HG ARG 19 -3.084 2.936 0.191
181 HD2 ARG 19 1HD ARG 19 -2.818 5.339 -0.077
182 HD3 ARG 19 2HD ARG 19 -4.007 4.806 -1.248
183 HH11 ARG 19 1HH1 ARG 19 -2.944 7.221 -0.683
184 HH12 ARG 19 2HH1 ARG 19 -3.586 8.784 -0.303
185 HH21 ARG 19 1HH2 ARG 19 -6.428 7.478 1.350
186 HH22 ARG 19 2HH2 ARG 19 -5.652 8.944 0.902
187 H CYS 20 H CYS 20 -7.703 3.562 1.895
188 HA CYS 20 HA CYS 20 -9.604 1.479 1.095
189 HB2 CYS 20 1HB CYS 20 -9.868 3.521 3.310
190 HB3 CYS 20 2HB CYS 20 -11.188 2.531 2.719
191 H TRP 21 H TRP 21 -11.647 2.381 0.135
192 HA TRP 21 HA TRP 21 -11.055 4.416 -1.729
193 HD1 TRP 21 1HD TRP 21 -15.564 4.043 -2.822
194 HE1 TRP 21 HE1 TRP 21 -17.542 4.382 -1.109
195 HE3 TRP 21 HE3 TRP 21 -12.772 3.275 1.358
196 HZ2 TRP 21 HZ2 TRP 21 -17.713 4.294 1.739
197 HZ3 TRP 21 HZ3 TRP 21 -13.922 3.419 3.565
198 HH2 TRP 21 2HH TRP 21 -16.306 3.909 3.795
199 HB2 TRP 21 1HB TRP 21 -12.945 3.775 -2.750
200 HB3 TRP 21 2HB TRP 21 -12.756 2.370 -1.720
Start of MODEL 9
1 HA ARG 1 HA ARG 1 -15.556 2.302 1.303
2 HE ARG 1 HE ARG 1 -20.433 2.234 2.156
3 H1 ARG 1 1H ARG 1 -16.878 2.775 -0.524
4 H2 ARG 1 2H ARG 1 -15.487 2.005 -0.982
5 H3 ARG 1 3H ARG 1 -16.922 1.183 -0.977
6 HB2 ARG 1 1HB ARG 1 -17.279 1.053 2.658
7 HB3 ARG 1 2HB ARG 1 -17.980 2.318 1.668
8 HG2 ARG 1 1HG ARG 1 -17.903 -0.050 0.048
9 HG3 ARG 1 2HG ARG 1 -18.522 -0.532 1.615
10 HD2 ARG 1 1HD ARG 1 -19.602 1.822 -0.010
11 HD3 ARG 1 2HD ARG 1 -20.326 0.226 0.017
12 HH11 ARG 1 1HH1 ARG 1 -20.800 -1.203 1.377
13 HH12 ARG 1 2HH1 ARG 1 -21.797 -1.536 2.754
14 HH21 ARG 1 1HH2 ARG 1 -21.712 1.802 3.921
15 HH22 ARG 1 2HH2 ARG 1 -22.341 0.241 4.266
16 H TRP 2 H TRP 2 -13.793 0.985 -0.073
17 HA TRP 2 HA TRP 2 -13.613 -1.607 1.217
18 HD1 TRP 2 HD1 TRP 2 -11.557 -3.260 -2.314
19 HE1 TRP 2 HE1 TRP 2 -10.534 -2.040 -4.418
20 HE3 TRP 2 HE3 TRP 2 -14.501 0.875 -2.004
21 HZ2 TRP 2 HZ2 TRP 2 -11.059 0.461 -5.689
22 HZ3 TRP 2 HZ3 TRP 2 -14.182 2.658 -3.715
23 HH2 TRP 2 HH2 TRP 2 -12.532 2.501 -5.512
24 HB2 TRP 2 1HB TRP 2 -13.534 -2.923 -0.628
25 HB3 TRP 2 2HB TRP 2 -14.737 -1.757 -1.139
26 H CYS 3 H CYS 3 -11.327 -2.422 1.087
27 HA CYS 3 HA CYS 3 -9.470 -0.246 0.461
28 HB2 CYS 3 1HB CYS 3 -9.075 -2.112 2.792
29 HB3 CYS 3 2HB CYS 3 -8.202 -0.641 2.413
30 H VAL 4 H VAL 4 -7.346 -1.008 -0.272
31 HA VAL 4 HA VAL 4 -7.173 -3.876 -0.782
32 HB VAL 4 HB VAL 4 -6.638 -3.549 -3.094
33 HG11 VAL 4 1HG1 VAL 4 -9.075 -3.657 -2.287
34 HG12 VAL 4 2HG1 VAL 4 -9.145 -1.917 -2.656
35 HG13 VAL 4 3HG1 VAL 4 -8.784 -3.087 -3.948
36 HG21 VAL 4 3HG2 VAL 4 -6.489 -1.481 -4.209
37 HG22 VAL 4 1HG2 VAL 4 -7.268 -0.601 -2.872
38 HG23 VAL 4 2HG2 VAL 4 -5.613 -1.229 -2.681
39 H TYR 5 H TYR 5 -4.967 -4.611 -1.122
40 HA TYR 5 HA TYR 5 -3.069 -2.788 0.148
41 HD1 TYR 5 HD1 TYR 5 -4.833 -3.732 1.544
42 HD2 TYR 5 HD2 TYR 5 -3.436 -7.627 0.457
43 HE1 TYR 5 HE1 TYR 5 -6.742 -4.789 2.849
44 HE2 TYR 5 HE2 TYR 5 -5.349 -8.670 1.766
45 HH TYR 5 HH TYR 5 -8.010 -7.113 2.617
46 HB2 TYR 5 1HB TYR 5 -2.557 -5.681 -0.638
47 HB3 TYR 5 2HB TYR 5 -2.026 -4.846 0.808
48 H ALA 6 H ALA 6 -1.138 -2.144 -0.814
49 HA ALA 6 HA ALA 6 -0.433 -3.274 -3.383
50 HB1 ALA 6 3HB ALA 6 -0.265 -0.753 -4.188
51 HB2 ALA 6 1HB ALA 6 -1.795 -1.651 -4.330
52 HB3 ALA 6 2HB ALA 6 -1.554 -0.510 -2.985
53 H TYR 7 H TYR 7 1.758 -2.527 -4.071
54 HA TYR 7 HA TYR 7 3.337 -1.878 -1.686
55 HD1 TYR 7 HD2 TYR 7 3.363 -4.347 -1.093
56 HD2 TYR 7 HD1 TYR 7 3.432 -4.825 -5.344
57 HE1 TYR 7 HE2 TYR 7 2.293 -6.641 -0.859
58 HE2 TYR 7 HE1 TYR 7 2.362 -7.118 -5.096
59 HH TYR 7 HH TYR 7 1.797 -8.507 -1.896
60 HB2 TYR 7 1HB TYR 7 4.266 -2.871 -4.435
61 HB3 TYR 7 2HB TYR 7 5.083 -3.091 -2.900
62 H VAL 8 H VAL 8 5.007 -0.285 -1.776
63 HA VAL 8 HA VAL 8 5.000 1.394 -4.167
64 HB VAL 8 HB VAL 8 3.415 2.469 -2.769
65 HG11 VAL 8 1HG1 VAL 8 4.984 3.047 -0.403
66 HG12 VAL 8 2HG1 VAL 8 3.372 2.304 -0.543
67 HG13 VAL 8 3HG1 VAL 8 4.832 1.290 -0.644
68 HG21 VAL 8 3HG2 VAL 8 5.100 3.927 -3.846
69 HG22 VAL 8 1HG2 VAL 8 4.475 4.619 -2.330
70 HG23 VAL 8 2HG2 VAL 8 6.085 3.860 -2.365
71 H ARG 9 H ARG 9 6.936 2.843 -4.241
72 HA ARG 9 HA ARG 9 9.148 1.383 -3.127
73 HE ARG 9 HE ARG 9 10.419 5.045 -6.623
74 HB2 ARG 9 1HB ARG 9 9.674 1.842 -5.348
75 HB3 ARG 9 2HB ARG 9 8.733 3.320 -5.380
76 HG2 ARG 9 1HG ARG 9 10.458 4.601 -4.368
77 HG3 ARG 9 2HG ARG 9 11.249 3.190 -3.694
78 HD2 ARG 9 1HD ARG 9 12.641 3.789 -5.527
79 HD3 ARG 9 2HD ARG 9 11.688 2.458 -6.153
80 HH11 ARG 9 1HH1 ARG 9 12.828 2.770 -7.877
81 HH12 ARG 9 2HH1 ARG 9 12.718 3.356 -9.503
82 HH21 ARG 9 1HH2 ARG 9 10.281 5.794 -8.711
83 HH22 ARG 9 2HH2 ARG 9 11.209 5.149 -10.004
84 H ILE 10 H ILE 10 9.761 1.998 -1.067
85 HA ILE 10 HA ILE 10 10.027 4.877 -0.596
86 HB ILE 10 HB ILE 10 8.777 2.842 1.250
87 HG12 ILE 10 1HG1 ILE 10 7.624 4.404 -0.738
88 HG13 ILE 10 2HG1 ILE 10 6.796 3.610 0.587
89 HG21 ILE 10 1HG2 ILE 10 9.476 5.736 1.819
90 HG22 ILE 10 2HG2 ILE 10 8.600 4.624 2.899
91 HG23 ILE 10 3HG2 ILE 10 10.304 4.311 2.490
92 HD11 ILE 10 3HD1 ILE 10 7.948 6.438 0.663
93 HD12 ILE 10 1HD1 ILE 10 6.225 6.015 0.516
94 HD13 ILE 10 2HD1 ILE 10 7.111 5.632 2.011
95 H ARG 11 H ARG 11 12.011 5.455 0.152
96 HA ARG 11 HA ARG 11 14.043 5.307 0.868
97 HE ARG 11 HE ARG 11 13.309 4.028 6.320
98 HB2 ARG 11 1HB ARG 11 12.754 3.074 2.428
99 HB3 ARG 11 2HB ARG 11 14.506 3.133 2.435
100 HG2 ARG 11 1HG ARG 11 13.924 5.783 2.898
101 HG3 ARG 11 2HG ARG 11 12.537 5.022 3.653
102 HD2 ARG 11 1HD ARG 11 14.691 3.439 4.526
103 HD3 ARG 11 2HD ARG 11 15.357 5.060 4.531
104 HH11 ARG 11 1HH1 ARG 11 14.482 6.992 4.773
105 HH12 ARG 11 2HH1 ARG 11 13.819 8.035 5.987
106 HH21 ARG 11 1HH2 ARG 11 12.461 5.370 7.874
107 HH22 ARG 11 2HH2 ARG 11 12.619 7.080 7.828
108 H GLY 12 H GLY 12 13.387 4.154 -1.702
109 HA3 GLY 12 2HA GLY 12 15.766 2.784 -2.300
110 H VAL 13 H VAL 13 12.773 1.691 -0.892
111 HA VAL 13 HA VAL 13 13.402 -1.063 -1.699
112 HB VAL 13 HB VAL 13 12.352 -0.365 1.023
113 HG11 VAL 13 1HG1 VAL 13 13.522 -2.732 -0.353
114 HG12 VAL 13 2HG1 VAL 13 13.958 -2.502 1.358
115 HG13 VAL 13 3HG1 VAL 13 12.246 -2.634 0.885
116 HG21 VAL 13 3HG2 VAL 13 15.011 -0.764 1.503
117 HG22 VAL 13 1HG2 VAL 13 15.068 0.169 -0.012
118 HG23 VAL 13 2HG2 VAL 13 14.226 0.831 1.410
119 H LEU 14 H LEU 14 11.483 -2.556 -1.444
120 HA LEU 14 HA LEU 14 9.083 -1.069 -2.213
121 HG LEU 14 HG LEU 14 7.585 -3.857 -3.731
122 HB2 LEU 14 1HB LEU 14 10.276 -2.898 -3.644
123 HB3 LEU 14 2HB LEU 14 9.467 -4.020 -2.569
124 HD11 LEU 14 1HD1 LEU 14 6.278 -1.858 -3.889
125 HD12 LEU 14 2HD1 LEU 14 7.094 -1.863 -2.307
126 HD13 LEU 14 3HD1 LEU 14 7.709 -0.834 -3.622
127 HD21 LEU 14 3HD2 LEU 14 9.067 -3.687 -5.649
128 HD22 LEU 14 1HD2 LEU 14 7.584 -2.740 -5.924
129 HD23 LEU 14 2HD2 LEU 14 9.101 -1.913 -5.495
130 H VAL 15 H VAL 15 7.639 -0.711 -0.622
131 HA VAL 15 HA VAL 15 7.415 -2.797 1.438
132 HB VAL 15 HB VAL 15 6.610 0.035 1.931
133 HG11 VAL 15 1HG1 VAL 15 6.155 -1.019 3.868
134 HG12 VAL 15 2HG1 VAL 15 7.205 -2.402 3.477
135 HG13 VAL 15 3HG1 VAL 15 7.909 -0.915 4.156
136 HG21 VAL 15 3HG2 VAL 15 9.478 -0.961 1.964
137 HG22 VAL 15 1HG2 VAL 15 8.802 0.343 0.959
138 HG23 VAL 15 2HG2 VAL 15 8.920 0.549 2.723
139 H ARG 16 H ARG 16 5.286 -3.351 2.147
140 HA ARG 16 HA ARG 16 3.336 -2.752 0.106
141 HE ARG 16 HE ARG 16 5.436 -8.138 1.636
142 HB2 ARG 16 1HB ARG 16 2.788 -4.657 2.388
143 HB3 ARG 16 2HB ARG 16 2.265 -4.762 0.719
144 HG2 ARG 16 1HG ARG 16 4.754 -5.120 0.106
145 HG3 ARG 16 2HG ARG 16 5.052 -5.320 1.821
146 HD2 ARG 16 1HD ARG 16 2.772 -6.955 1.144
147 HD3 ARG 16 2HD ARG 16 4.015 -7.261 -0.053
148 HH11 ARG 16 1HH1 ARG 16 2.497 -6.769 3.065
149 HH12 ARG 16 2HH1 ARG 16 2.767 -7.489 4.617
150 HH21 ARG 16 1HH2 ARG 16 5.778 -9.060 3.628
151 HH22 ARG 16 2HH2 ARG 16 4.711 -8.849 4.958
152 H TYR 17 H TYR 17 1.164 -1.992 0.661
153 HA TYR 17 HA TYR 17 0.718 -1.171 3.406
154 HD1 TYR 17 HD2 TYR 17 -1.334 1.568 0.967
155 HD2 TYR 17 HD1 TYR 17 2.607 0.317 -0.134
156 HE1 TYR 17 HE2 TYR 17 -1.799 2.203 -1.451
157 HE2 TYR 17 HE1 TYR 17 2.128 0.956 -2.548
158 HH TYR 17 HH TYR 17 -0.537 2.844 -3.416
159 HB2 TYR 17 1HB TYR 17 0.393 1.193 2.665
160 HB3 TYR 17 2HB TYR 17 2.007 0.680 2.214
161 H ARG 18 H ARG 18 -1.545 -0.111 3.586
162 HA ARG 18 HA ARG 18 -3.254 -1.270 1.537
163 HE ARG 18 HE ARG 18 -4.859 -3.953 5.268
164 HB2 ARG 18 1HB ARG 18 -3.895 -1.182 4.526
165 HB3 ARG 18 2HB ARG 18 -4.864 -1.943 3.280
166 HG2 ARG 18 1HG ARG 18 -3.580 -3.830 3.277
167 HG3 ARG 18 2HG ARG 18 -2.085 -2.916 3.238
168 HD2 ARG 18 1HD ARG 18 -1.940 -3.951 5.344
169 HD3 ARG 18 2HD ARG 18 -2.616 -2.393 5.774
170 HH11 ARG 18 1HH1 ARG 18 -2.052 -4.292 7.405
171 HH12 ARG 18 2HH1 ARG 18 -2.913 -5.212 8.594
172 HH21 ARG 18 1HH2 ARG 18 -5.958 -5.134 6.796
173 HH22 ARG 18 2HH2 ARG 18 -5.229 -5.714 8.239
174 H ARG 19 H ARG 19 -4.873 0.116 0.774
175 HA ARG 19 HA ARG 19 -5.235 2.557 2.316
176 HE ARG 19 HE ARG 19 -5.209 5.456 0.735
177 HB2 ARG 19 1HB ARG 19 -4.867 2.192 -0.686
178 HB3 ARG 19 2HB ARG 19 -5.668 3.615 -0.051
179 HG2 ARG 19 1HG ARG 19 -3.477 3.634 1.556
180 HG3 ARG 19 2HG ARG 19 -2.787 2.791 0.182
181 HD2 ARG 19 1HD ARG 19 -2.409 5.172 -0.149
182 HD3 ARG 19 2HD ARG 19 -3.605 4.659 -1.322
183 HH11 ARG 19 1HH1 ARG 19 -2.425 7.039 -0.781
184 HH12 ARG 19 2HH1 ARG 19 -2.996 8.640 -0.445
185 HH21 ARG 19 1HH2 ARG 19 -5.936 7.511 1.164
186 HH22 ARG 19 2HH2 ARG 19 -5.077 8.927 0.708
187 H CYS 20 H CYS 20 -7.394 3.673 1.803
188 HA CYS 20 HA CYS 20 -9.377 1.650 1.051
189 HB2 CYS 20 1HB CYS 20 -9.591 3.806 3.162
190 HB3 CYS 20 2HB CYS 20 -10.934 2.828 2.604
191 H TRP 21 H TRP 21 -11.359 2.595 0.013
192 HA TRP 21 HA TRP 21 -10.646 4.519 -1.925
193 HD1 TRP 21 1HD TRP 21 -15.148 4.291 -3.087
194 HE1 TRP 21 HE1 TRP 21 -17.139 4.791 -1.429
195 HE3 TRP 21 HE3 TRP 21 -12.466 3.590 1.175
196 HZ2 TRP 21 HZ2 TRP 21 -17.363 4.836 1.416
197 HZ3 TRP 21 HZ3 TRP 21 -13.647 3.881 3.351
198 HH2 TRP 21 2HH TRP 21 -16.010 4.482 3.514
199 HB2 TRP 21 1HB TRP 21 -12.545 3.915 -2.953
200 HB3 TRP 21 2HB TRP 21 -12.436 2.550 -1.860
Start of MODEL 10
1 HA ARG 1 HA ARG 1 -16.020 1.795 0.100
2 HE ARG 1 HE ARG 1 -20.100 0.672 3.808
3 H1 ARG 1 1H ARG 1 -18.302 1.719 -0.214
4 H2 ARG 1 2H ARG 1 -17.523 0.727 -1.285
5 H3 ARG 1 3H ARG 1 -18.336 0.078 0.001
6 HB2 ARG 1 1HB ARG 1 -16.053 1.605 2.487
7 HB3 ARG 1 2HB ARG 1 -17.724 1.902 2.050
8 HG2 ARG 1 1HG ARG 1 -17.982 -0.697 1.997
9 HG3 ARG 1 2HG ARG 1 -16.441 -0.745 2.831
10 HD2 ARG 1 1HD ARG 1 -17.616 -0.489 4.765
11 HD3 ARG 1 2HD ARG 1 -17.868 1.178 4.286
12 HH11 ARG 1 1HH1 ARG 1 -18.254 -2.351 3.897
13 HH12 ARG 1 2HH1 ARG 1 -19.656 -3.356 3.743
14 HH21 ARG 1 1HH2 ARG 1 -21.895 -0.621 3.609
15 HH22 ARG 1 2HH2 ARG 1 -21.818 -2.337 3.572
16 H TRP 2 H TRP 2 -14.103 0.707 -0.260
17 HA TRP 2 HA TRP 2 -13.899 -2.072 0.528
18 HD1 TRP 2 HD1 TRP 2 -11.470 -2.951 -3.033
19 HE1 TRP 2 HE1 TRP 2 -10.371 -1.329 -4.801
20 HE3 TRP 2 HE3 TRP 2 -14.707 0.899 -2.293
21 HZ2 TRP 2 HZ2 TRP 2 -10.966 1.322 -5.672
22 HZ3 TRP 2 HZ3 TRP 2 -14.378 2.969 -3.642
23 HH2 TRP 2 HH2 TRP 2 -12.585 3.217 -5.285
24 HB2 TRP 2 1HB TRP 2 -13.604 -3.025 -1.510
25 HB3 TRP 2 2HB TRP 2 -14.830 -1.835 -1.902
26 H CYS 3 H CYS 3 -11.573 -2.763 0.463
27 HA CYS 3 HA CYS 3 -9.784 -0.447 0.378
28 HB2 CYS 3 1HB CYS 3 -9.670 -2.661 2.436
29 HB3 CYS 3 2HB CYS 3 -8.587 -1.289 2.314
30 H VAL 4 H VAL 4 -7.559 -1.011 -0.253
31 HA VAL 4 HA VAL 4 -7.144 -3.743 -1.142
32 HB VAL 4 HB VAL 4 -6.603 -3.134 -3.386
33 HG11 VAL 4 1HG1 VAL 4 -9.028 -3.531 -2.716
34 HG12 VAL 4 2HG1 VAL 4 -9.243 -1.766 -2.808
35 HG13 VAL 4 3HG1 VAL 4 -8.764 -2.682 -4.258
36 HG21 VAL 4 3HG2 VAL 4 -7.445 -0.276 -2.862
37 HG22 VAL 4 1HG2 VAL 4 -5.753 -0.810 -2.724
38 HG23 VAL 4 2HG2 VAL 4 -6.605 -0.948 -4.280
39 H TYR 5 H TYR 5 -4.878 -4.244 -1.441
40 HA TYR 5 HA TYR 5 -3.191 -2.379 0.047
41 HD1 TYR 5 HD2 TYR 5 -4.262 -3.828 2.042
42 HD2 TYR 5 HD1 TYR 5 -3.773 -6.995 -0.793
43 HE1 TYR 5 HE2 TYR 5 -6.108 -5.149 3.188
44 HE2 TYR 5 HE1 TYR 5 -5.620 -8.305 0.363
45 HH TYR 5 HH TYR 5 -6.589 -7.837 3.306
46 HB2 TYR 5 1HB TYR 5 -2.401 -5.141 -0.954
47 HB3 TYR 5 2HB TYR 5 -1.986 -4.388 0.573
48 H ALA 6 H ALA 6 -1.122 -1.712 -0.728
49 HA ALA 6 HA ALA 6 -0.416 -2.435 -3.440
50 HB1 ALA 6 3HB ALA 6 -1.795 -0.640 -4.056
51 HB2 ALA 6 1HB ALA 6 -1.389 0.301 -2.601
52 HB3 ALA 6 2HB ALA 6 -0.196 0.127 -3.910
53 H TYR 7 H TYR 7 1.800 -1.640 -3.983
54 HA TYR 7 HA TYR 7 3.333 -1.154 -1.517
55 HD1 TYR 7 HD1 TYR 7 3.855 -3.871 -0.680
56 HD2 TYR 7 HD2 TYR 7 2.628 -4.109 -4.772
57 HE1 TYR 7 HE1 TYR 7 2.615 -6.036 -0.191
58 HE2 TYR 7 HE2 TYR 7 1.393 -6.272 -4.269
59 HH TYR 7 HH TYR 7 1.243 -7.534 -0.958
60 HB2 TYR 7 1HB TYR 7 4.236 -2.498 -4.127
61 HB3 TYR 7 2HB TYR 7 5.033 -2.596 -2.569
62 H VAL 8 H VAL 8 5.093 0.312 -1.622
63 HA VAL 8 HA VAL 8 5.280 1.809 -4.139
64 HB VAL 8 HB VAL 8 4.085 3.344 -2.983
65 HG11 VAL 8 1HG1 VAL 8 3.747 1.888 -1.007
66 HG12 VAL 8 2HG1 VAL 8 5.317 2.425 -0.364
67 HG13 VAL 8 3HG1 VAL 8 3.990 3.595 -0.564
68 HG21 VAL 8 3HG2 VAL 8 6.836 3.843 -1.797
69 HG22 VAL 8 1HG2 VAL 8 6.310 4.322 -3.428
70 HG23 VAL 8 2HG2 VAL 8 5.534 5.040 -1.996
71 H ARG 9 H ARG 9 7.379 2.833 -4.492
72 HA ARG 9 HA ARG 9 9.430 1.231 -3.278
73 HE ARG 9 HE ARG 9 11.028 1.229 -7.590
74 HB2 ARG 9 1HB ARG 9 9.835 1.343 -5.581
75 HB3 ARG 9 2HB ARG 9 9.184 2.964 -5.728
76 HG2 ARG 9 1HG ARG 9 11.185 3.954 -4.773
77 HG3 ARG 9 2HG ARG 9 11.795 2.393 -4.261
78 HD2 ARG 9 1HD ARG 9 11.566 3.469 -7.099
79 HD3 ARG 9 2HD ARG 9 13.011 2.937 -6.262
80 HH11 ARG 9 1HH1 ARG 9 13.641 1.324 -5.199
81 HH12 ARG 9 2HH1 ARG 9 13.976 -0.372 -5.315
82 HH21 ARG 9 1HH2 ARG 9 11.462 -0.945 -7.736
83 HH22 ARG 9 2HH2 ARG 9 12.688 -1.723 -6.817
84 H ILE 10 H ILE 10 10.249 1.997 -1.345
85 HA ILE 10 HA ILE 10 11.046 4.803 -1.283
86 HB ILE 10 HB ILE 10 9.153 3.440 0.593
87 HG12 ILE 10 1HG1 ILE 10 8.901 5.397 -1.382
88 HG13 ILE 10 2HG1 ILE 10 7.705 4.936 -0.187
89 HG21 ILE 10 1HG2 ILE 10 9.597 5.061 2.326
90 HG22 ILE 10 2HG2 ILE 10 11.090 4.167 1.955
91 HG23 ILE 10 3HG2 ILE 10 10.868 5.823 1.342
92 HD11 ILE 10 3HD1 ILE 10 8.692 6.600 1.417
93 HD12 ILE 10 1HD1 ILE 10 9.831 7.103 0.145
94 HD13 ILE 10 2HD1 ILE 10 8.083 7.358 -0.073
95 H ARG 11 H ARG 11 13.045 5.114 -0.366
96 HA ARG 11 HA ARG 11 14.970 4.652 0.498
97 HE ARG 11 HE ARG 11 15.034 5.897 5.534
98 HB2 ARG 11 1HB ARG 11 13.243 2.748 2.100
99 HB3 ARG 11 2HB ARG 11 14.983 2.643 2.275
100 HG2 ARG 11 1HG ARG 11 14.346 5.428 2.385
101 HG3 ARG 11 2HG ARG 11 13.154 4.619 3.383
102 HD2 ARG 11 1HD ARG 11 15.387 3.298 4.230
103 HD3 ARG 11 2HD ARG 11 16.127 4.814 3.756
104 HH11 ARG 11 1HH1 ARG 11 13.606 2.688 5.063
105 HH12 ARG 11 2HH1 ARG 11 12.669 2.756 6.518
106 HH21 ARG 11 1HH2 ARG 11 13.830 5.979 7.399
107 HH22 ARG 11 2HH2 ARG 11 12.797 4.704 7.908
108 H GLY 12 H GLY 12 14.218 3.415 -2.018
109 HA3 GLY 12 2HA GLY 12 16.334 1.615 -2.385
110 H VAL 13 H VAL 13 13.154 1.164 -1.026
111 HA VAL 13 HA VAL 13 13.302 -1.711 -1.593
112 HB VAL 13 HB VAL 13 12.517 -0.593 1.088
113 HG11 VAL 13 1HG1 VAL 13 11.800 -2.790 0.998
114 HG12 VAL 13 2HG1 VAL 13 13.144 -3.302 -0.050
115 HG13 VAL 13 3HG1 VAL 13 13.434 -2.986 1.677
116 HG21 VAL 13 3HG2 VAL 13 15.208 -0.762 -0.067
117 HG22 VAL 13 1HG2 VAL 13 14.638 0.072 1.399
118 HG23 VAL 13 2HG2 VAL 13 15.040 -1.661 1.460
119 H LEU 14 H LEU 14 11.160 -2.817 -1.230
120 HA LEU 14 HA LEU 14 9.048 -0.992 -2.094
121 HG LEU 14 HG LEU 14 7.027 -3.574 -3.328
122 HB2 LEU 14 1HB LEU 14 9.855 -3.149 -3.334
123 HB3 LEU 14 2HB LEU 14 8.863 -3.981 -2.152
124 HD11 LEU 14 1HD1 LEU 14 6.960 -1.385 -2.119
125 HD12 LEU 14 2HD1 LEU 14 7.734 -0.638 -3.537
126 HD13 LEU 14 3HD1 LEU 14 6.127 -1.388 -3.692
127 HD21 LEU 14 3HD2 LEU 14 8.486 -3.889 -5.248
128 HD22 LEU 14 1HD2 LEU 14 7.203 -2.715 -5.625
129 HD23 LEU 14 2HD2 LEU 14 8.855 -2.148 -5.281
130 H VAL 15 H VAL 15 7.730 -0.221 -0.541
131 HA VAL 15 HA VAL 15 7.405 -1.848 1.867
132 HB VAL 15 HB VAL 15 6.370 0.936 1.619
133 HG11 VAL 15 1HG1 VAL 15 5.968 0.073 3.731
134 HG12 VAL 15 2HG1 VAL 15 7.491 -0.847 3.765
135 HG13 VAL 15 3HG1 VAL 15 7.513 0.920 3.980
136 HG21 VAL 15 3HG2 VAL 15 8.434 1.398 0.622
137 HG22 VAL 15 1HG2 VAL 15 8.740 1.693 2.351
138 HG23 VAL 15 2HG2 VAL 15 9.291 0.179 1.595
139 H ARG 16 H ARG 16 5.351 -2.487 2.614
140 HA ARG 16 HA ARG 16 3.348 -2.365 0.524
141 HE ARG 16 HE ARG 16 5.580 -6.405 -0.098
142 HB2 ARG 16 1HB ARG 16 3.034 -4.095 2.982
143 HB3 ARG 16 2HB ARG 16 2.510 -4.412 1.340
144 HG2 ARG 16 1HG ARG 16 5.070 -4.490 0.760
145 HG3 ARG 16 2HG ARG 16 5.315 -4.635 2.489
146 HD2 ARG 16 1HD ARG 16 4.736 -6.834 2.452
147 HD3 ARG 16 2HD ARG 16 3.212 -6.473 1.667
148 HH11 ARG 16 1HH1 ARG 16 2.867 -8.323 1.132
149 HH12 ARG 16 2HH1 ARG 16 2.909 -9.453 -0.180
150 HH21 ARG 16 1HH2 ARG 16 5.632 -7.857 -1.779
151 HH22 ARG 16 2HH2 ARG 16 4.547 -9.182 -1.909
152 H TYR 17 H TYR 17 1.212 -1.583 0.956
153 HA TYR 17 HA TYR 17 0.597 -0.720 3.654
154 HD1 TYR 17 HD2 TYR 17 2.638 0.748 0.203
155 HD2 TYR 17 HD1 TYR 17 -1.402 1.894 1.024
156 HE1 TYR 17 HE2 TYR 17 2.291 1.312 -2.251
157 HE2 TYR 17 HE1 TYR 17 -1.735 2.454 -1.433
158 HH TYR 17 HH TYR 17 -0.882 2.390 -3.422
159 HB2 TYR 17 1HB TYR 17 0.222 1.614 2.835
160 HB3 TYR 17 2HB TYR 17 1.879 1.153 2.500
161 H ARG 18 H ARG 18 -1.691 -0.108 3.900
162 HA ARG 18 HA ARG 18 -3.255 -1.269 1.736
163 HE ARG 18 HE ARG 18 -5.457 -2.781 5.993
164 HB2 ARG 18 1HB ARG 18 -4.203 -1.026 4.620
165 HB3 ARG 18 2HB ARG 18 -4.827 -2.082 3.368
166 HG2 ARG 18 1HG ARG 18 -2.726 -3.396 3.379
167 HG3 ARG 18 2HG ARG 18 -2.018 -2.301 4.549
168 HD2 ARG 18 1HD ARG 18 -4.121 -4.410 4.950
169 HD3 ARG 18 2HD ARG 18 -2.780 -3.969 5.988
170 HH11 ARG 18 1HH1 ARG 18 -2.067 -2.261 6.883
171 HH12 ARG 18 2HH1 ARG 18 -2.438 -1.080 8.095
172 HH21 ARG 18 1HH2 ARG 18 -5.927 -1.266 7.549
173 HH22 ARG 18 2HH2 ARG 18 -4.725 -0.485 8.494
174 H ARG 19 H ARG 19 -5.092 -0.103 0.979
175 HA ARG 19 HA ARG 19 -5.456 2.487 2.257
176 HE ARG 19 HE ARG 19 -5.710 5.172 0.326
177 HB2 ARG 19 1HB ARG 19 -5.316 1.768 -0.699
178 HB3 ARG 19 2HB ARG 19 -6.135 3.226 -0.174
179 HG2 ARG 19 1HG ARG 19 -3.827 3.536 1.223
180 HG3 ARG 19 2HG ARG 19 -3.206 2.554 -0.089
181 HD2 ARG 19 1HD ARG 19 -2.974 4.882 -0.748
182 HD3 ARG 19 2HD ARG 19 -4.239 4.182 -1.737
183 HH11 ARG 19 1HH1 ARG 19 -3.102 6.658 -1.556
184 HH12 ARG 19 2HH1 ARG 19 -3.708 8.269 -1.356
185 HH21 ARG 19 1HH2 ARG 19 -6.484 7.239 0.580
186 HH22 ARG 19 2HH2 ARG 19 -5.713 8.620 -0.091
187 H CYS 20 H CYS 20 -7.701 3.451 1.798
188 HA CYS 20 HA CYS 20 -9.654 1.345 1.259
189 HB2 CYS 20 1HB CYS 20 -9.572 3.198 3.634
190 HB3 CYS 20 2HB CYS 20 -11.073 2.489 3.072
191 H TRP 21 H TRP 21 -11.785 2.281 0.544
192 HA TRP 21 HA TRP 21 -11.371 4.397 -1.278
193 HD1 TRP 21 1HD TRP 21 -15.974 4.016 -1.947
194 HE1 TRP 21 HE1 TRP 21 -17.774 4.272 -0.035
195 HE3 TRP 21 HE3 TRP 21 -12.770 3.149 1.905
196 HZ2 TRP 21 HZ2 TRP 21 -17.658 4.087 2.811
197 HZ3 TRP 21 HZ3 TRP 21 -13.695 3.205 4.219
198 HH2 TRP 21 2HH TRP 21 -16.048 3.654 4.703
199 HB2 TRP 21 1HB TRP 21 -13.353 3.797 -2.141
200 HB3 TRP 21 2HB TRP 21 -13.061 2.346 -1.203
Start of MODEL 11
1 HA ARG 1 HA ARG 1 -15.536 2.332 1.322
2 HE ARG 1 HE ARG 1 -18.288 0.631 5.903
3 H1 ARG 1 1H ARG 1 -16.857 2.814 -0.504
4 H2 ARG 1 2H ARG 1 -15.470 2.038 -0.963
5 H3 ARG 1 3H ARG 1 -16.909 1.222 -0.958
6 HB2 ARG 1 1HB ARG 1 -18.081 2.268 1.459
7 HB3 ARG 1 2HB ARG 1 -18.006 0.526 1.276
8 HG2 ARG 1 1HG ARG 1 -16.221 0.842 3.326
9 HG3 ARG 1 2HG ARG 1 -17.255 2.225 3.627
10 HD2 ARG 1 1HD ARG 1 -19.248 0.795 3.741
11 HD3 ARG 1 2HD ARG 1 -18.331 -0.606 3.223
12 HH11 ARG 1 1HH1 ARG 1 -16.738 -1.660 3.688
13 HH12 ARG 1 2HH1 ARG 1 -15.936 -2.531 4.952
14 HH21 ARG 1 1HH2 ARG 1 -17.257 -0.490 7.521
15 HH22 ARG 1 2HH2 ARG 1 -16.240 -1.842 7.227
16 H TRP 2 H TRP 2 -13.763 1.020 -0.019
17 HA TRP 2 HA TRP 2 -13.598 -1.575 1.258
18 HD1 TRP 2 HD1 TRP 2 -11.558 -3.244 -2.272
19 HE1 TRP 2 HE1 TRP 2 -10.542 -2.036 -4.387
20 HE3 TRP 2 HE3 TRP 2 -14.497 0.894 -1.972
21 HZ2 TRP 2 HZ2 TRP 2 -11.070 0.459 -5.668
22 HZ3 TRP 2 HZ3 TRP 2 -14.182 2.669 -3.694
23 HH2 TRP 2 HH2 TRP 2 -12.539 2.501 -5.496
24 HB2 TRP 2 1HB TRP 2 -13.530 -2.898 -0.582
25 HB3 TRP 2 2HB TRP 2 -14.732 -1.729 -1.092
26 H CYS 3 H CYS 3 -11.314 -2.400 1.119
27 HA CYS 3 HA CYS 3 -9.453 -0.233 0.479
28 HB2 CYS 3 1HB CYS 3 -9.058 -2.093 2.816
29 HB3 CYS 3 2HB CYS 3 -8.176 -0.630 2.426
30 H VAL 4 H VAL 4 -7.335 -1.005 -0.263
31 HA VAL 4 HA VAL 4 -7.176 -3.875 -0.764
32 HB VAL 4 HB VAL 4 -6.646 -3.556 -3.079
33 HG11 VAL 4 1HG1 VAL 4 -8.791 -3.252 -3.879
34 HG12 VAL 4 2HG1 VAL 4 -9.112 -3.542 -2.152
35 HG13 VAL 4 3HG1 VAL 4 -9.122 -1.881 -2.793
36 HG21 VAL 4 3HG2 VAL 4 -5.618 -1.235 -2.676
37 HG22 VAL 4 1HG2 VAL 4 -6.501 -1.490 -4.200
38 HG23 VAL 4 2HG2 VAL 4 -7.273 -0.606 -2.862
39 H TYR 5 H TYR 5 -4.973 -4.619 -1.116
40 HA TYR 5 HA TYR 5 -3.062 -2.796 0.137
41 HD1 TYR 5 HD2 TYR 5 -4.774 -3.717 1.614
42 HD2 TYR 5 HD1 TYR 5 -3.498 -7.626 0.435
43 HE1 TYR 5 HE2 TYR 5 -6.681 -4.748 2.943
44 HE2 TYR 5 HE1 TYR 5 -5.409 -8.644 1.768
45 HH TYR 5 HH TYR 5 -7.814 -7.671 2.494
46 HB2 TYR 5 1HB TYR 5 -2.571 -5.700 -0.626
47 HB3 TYR 5 2HB TYR 5 -2.024 -4.854 0.809
48 H ALA 6 H ALA 6 -1.132 -2.170 -0.840
49 HA ALA 6 HA ALA 6 -0.443 -3.328 -3.401
50 HB1 ALA 6 3HB ALA 6 -0.280 -0.584 -3.920
51 HB2 ALA 6 1HB ALA 6 -1.485 -1.715 -4.581
52 HB3 ALA 6 2HB ALA 6 -1.854 -0.779 -3.112
53 H TYR 7 H TYR 7 1.748 -2.590 -4.107
54 HA TYR 7 HA TYR 7 3.342 -1.941 -1.734
55 HD1 TYR 7 HD2 TYR 7 3.350 -4.371 -1.133
56 HD2 TYR 7 HD1 TYR 7 3.455 -4.922 -5.374
57 HE1 TYR 7 HE2 TYR 7 2.298 -6.670 -0.867
58 HE2 TYR 7 HE1 TYR 7 2.403 -7.220 -5.094
59 HH TYR 7 HH TYR 7 2.464 -8.953 -2.744
60 HB2 TYR 7 1HB TYR 7 4.238 -2.933 -4.495
61 HB3 TYR 7 2HB TYR 7 5.085 -3.141 -2.975
62 H VAL 8 H VAL 8 5.014 -0.349 -1.831
63 HA VAL 8 HA VAL 8 5.013 1.327 -4.221
64 HB VAL 8 HB VAL 8 3.401 2.399 -2.852
65 HG11 VAL 8 1HG1 VAL 8 4.729 1.215 -0.705
66 HG12 VAL 8 2HG1 VAL 8 4.989 2.960 -0.470
67 HG13 VAL 8 3HG1 VAL 8 3.335 2.317 -0.617
68 HG21 VAL 8 3HG2 VAL 8 4.382 4.559 -2.510
69 HG22 VAL 8 1HG2 VAL 8 6.008 3.857 -2.324
70 HG23 VAL 8 2HG2 VAL 8 5.196 3.816 -3.908
71 H ARG 9 H ARG 9 6.937 2.806 -4.256
72 HA ARG 9 HA ARG 9 9.145 1.360 -3.114
73 HE ARG 9 HE ARG 9 10.617 4.893 -6.668
74 HB2 ARG 9 1HB ARG 9 9.675 1.826 -5.339
75 HB3 ARG 9 2HB ARG 9 8.757 3.318 -5.360
76 HG2 ARG 9 1HG ARG 9 10.501 4.577 -4.413
77 HG3 ARG 9 2HG ARG 9 11.208 3.193 -3.603
78 HD2 ARG 9 1HD ARG 9 12.741 3.424 -5.336
79 HD3 ARG 9 2HD ARG 9 11.609 2.337 -6.116
80 HH11 ARG 9 1HH1 ARG 9 13.673 3.199 -7.253
81 HH12 ARG 9 2HH1 ARG 9 14.037 4.093 -8.691
82 HH21 ARG 9 1HH2 ARG 9 11.087 6.038 -8.513
83 HH22 ARG 9 2HH2 ARG 9 12.508 5.778 -9.444
84 H ILE 10 H ILE 10 9.713 1.978 -1.041
85 HA ILE 10 HA ILE 10 9.933 4.862 -0.562
86 HB ILE 10 HB ILE 10 8.612 2.779 1.161
87 HG12 ILE 10 1HG1 ILE 10 7.604 4.631 -0.645
88 HG13 ILE 10 2HG1 ILE 10 6.705 3.776 0.592
89 HG21 ILE 10 1HG2 ILE 10 8.593 4.334 3.008
90 HG22 ILE 10 2HG2 ILE 10 10.274 4.011 2.522
91 HG23 ILE 10 3HG2 ILE 10 9.490 5.539 2.053
92 HD11 ILE 10 3HD1 ILE 10 7.190 5.606 2.220
93 HD12 ILE 10 1HD1 ILE 10 8.082 6.478 0.950
94 HD13 ILE 10 2HD1 ILE 10 6.330 6.208 0.783
95 H ARG 11 H ARG 11 11.902 5.478 0.194
96 HA ARG 11 HA ARG 11 13.934 5.371 0.917
97 HE ARG 11 HE ARG 11 11.948 5.049 5.422
98 HB2 ARG 11 1HB ARG 11 12.664 3.138 2.478
99 HB3 ARG 11 2HB ARG 11 14.416 3.170 2.467
100 HG2 ARG 11 1HG ARG 11 14.226 5.677 3.106
101 HG3 ARG 11 2HG ARG 11 12.528 5.367 3.413
102 HD2 ARG 11 1HD ARG 11 14.224 3.329 4.685
103 HD3 ARG 11 2HD ARG 11 14.671 4.940 5.209
104 HH11 ARG 11 1HH1 ARG 11 14.282 2.629 6.540
105 HH12 ARG 11 2HH1 ARG 11 13.315 2.140 7.891
106 HH21 ARG 11 1HH2 ARG 11 10.711 4.418 7.156
107 HH22 ARG 11 2HH2 ARG 11 11.196 3.197 8.263
108 H GLY 12 H GLY 12 13.304 4.202 -1.658
109 HA3 GLY 12 2HA GLY 12 15.717 2.885 -2.249
110 H VAL 13 H VAL 13 12.729 1.731 -0.870
111 HA VAL 13 HA VAL 13 13.418 -1.007 -1.680
112 HB VAL 13 HB VAL 13 12.348 -0.337 1.042
113 HG11 VAL 13 1HG1 VAL 13 13.986 -2.451 1.372
114 HG12 VAL 13 2HG1 VAL 13 12.276 -2.606 0.901
115 HG13 VAL 13 3HG1 VAL 13 13.552 -2.682 -0.339
116 HG21 VAL 13 3HG2 VAL 13 15.070 0.218 0.016
117 HG22 VAL 13 1HG2 VAL 13 14.205 0.898 1.416
118 HG23 VAL 13 2HG2 VAL 13 15.000 -0.690 1.546
119 H LEU 14 H LEU 14 11.527 -2.537 -1.439
120 HA LEU 14 HA LEU 14 9.103 -1.094 -2.214
121 HG LEU 14 HG LEU 14 7.660 -3.900 -3.744
122 HB2 LEU 14 1HB LEU 14 10.338 -2.906 -3.637
123 HB3 LEU 14 2HB LEU 14 9.535 -4.038 -2.567
124 HD11 LEU 14 1HD1 LEU 14 6.329 -1.919 -3.916
125 HD12 LEU 14 2HD1 LEU 14 7.132 -1.910 -2.327
126 HD13 LEU 14 3HD1 LEU 14 7.745 -0.876 -3.640
127 HD21 LEU 14 3HD2 LEU 14 9.182 -1.951 -5.496
128 HD22 LEU 14 1HD2 LEU 14 9.138 -3.723 -5.655
129 HD23 LEU 14 2HD2 LEU 14 7.663 -2.767 -5.937
130 H VAL 15 H VAL 15 7.632 -0.771 -0.641
131 HA VAL 15 HA VAL 15 7.416 -2.875 1.401
132 HB VAL 15 HB VAL 15 6.662 -0.031 1.934
133 HG11 VAL 15 1HG1 VAL 15 7.234 -2.502 3.467
134 HG12 VAL 15 2HG1 VAL 15 7.847 -0.991 4.182
135 HG13 VAL 15 3HG1 VAL 15 6.113 -1.164 3.816
136 HG21 VAL 15 3HG2 VAL 15 8.913 0.130 0.961
137 HG22 VAL 15 1HG2 VAL 15 8.935 0.481 2.706
138 HG23 VAL 15 2HG2 VAL 15 9.501 -1.097 2.109
139 H ARG 16 H ARG 16 5.279 -3.411 2.110
140 HA ARG 16 HA ARG 16 3.339 -2.781 0.074
141 HE ARG 16 HE ARG 16 4.079 -7.789 2.929
142 HB2 ARG 16 1HB ARG 16 2.754 -4.657 2.370
143 HB3 ARG 16 2HB ARG 16 2.234 -4.767 0.700
144 HG2 ARG 16 1HG ARG 16 4.700 -5.190 0.083
145 HG3 ARG 16 2HG ARG 16 5.021 -5.340 1.799
146 HD2 ARG 16 1HD ARG 16 2.709 -6.967 1.171
147 HD3 ARG 16 2HD ARG 16 3.969 -7.337 0.010
148 HH11 ARG 16 1HH1 ARG 16 5.877 -7.718 -0.124
149 HH12 ARG 16 2HH1 ARG 16 7.178 -8.691 0.477
150 HH21 ARG 16 1HH2 ARG 16 5.750 -9.037 3.695
151 HH22 ARG 16 2HH2 ARG 16 7.110 -9.476 2.740
152 H TYR 17 H TYR 17 1.165 -2.004 0.629
153 HA TYR 17 HA TYR 17 0.743 -1.135 3.363
154 HD1 TYR 17 HD2 TYR 17 -1.312 1.578 0.910
155 HD2 TYR 17 HD1 TYR 17 2.606 0.288 -0.224
156 HE1 TYR 17 HE2 TYR 17 -1.806 2.182 -1.509
157 HE2 TYR 17 HE1 TYR 17 2.099 0.896 -2.640
158 HH TYR 17 HH TYR 17 -0.091 2.877 -3.576
159 HB2 TYR 17 1HB TYR 17 0.438 1.218 2.590
160 HB3 TYR 17 2HB TYR 17 2.040 0.683 2.124
161 H ARG 18 H ARG 18 -1.510 -0.119 3.583
162 HA ARG 18 HA ARG 18 -3.241 -1.274 1.549
163 HE ARG 18 HE ARG 18 -4.873 -3.190 5.504
164 HB2 ARG 18 1HB ARG 18 -3.840 -1.149 4.546
165 HB3 ARG 18 2HB ARG 18 -4.843 -1.903 3.323
166 HG2 ARG 18 1HG ARG 18 -3.600 -3.813 3.331
167 HG3 ARG 18 2HG ARG 18 -2.091 -2.928 3.216
168 HD2 ARG 18 1HD ARG 18 -2.152 -4.180 5.336
169 HD3 ARG 18 2HD ARG 18 -2.171 -2.461 5.673
170 HH11 ARG 18 1HH1 ARG 18 -2.106 -4.150 7.498
171 HH12 ARG 18 2HH1 ARG 18 -3.080 -4.564 8.870
172 HH21 ARG 18 1HH2 ARG 18 -6.118 -3.724 7.265
173 HH22 ARG 18 2HH2 ARG 18 -5.460 -4.314 8.738
174 H ARG 19 H ARG 19 -4.854 0.111 0.775
175 HA ARG 19 HA ARG 19 -5.200 2.572 2.291
176 HE ARG 19 HE ARG 19 -5.171 5.452 0.680
177 HB2 ARG 19 1HB ARG 19 -4.847 2.171 -0.708
178 HB3 ARG 19 2HB ARG 19 -5.640 3.604 -0.085
179 HG2 ARG 19 1HG ARG 19 -3.440 3.632 1.510
180 HG3 ARG 19 2HG ARG 19 -2.761 2.772 0.142
181 HD2 ARG 19 1HD ARG 19 -2.376 5.148 -0.216
182 HD3 ARG 19 2HD ARG 19 -3.581 4.628 -1.377
183 HH11 ARG 19 1HH1 ARG 19 -2.387 7.009 -0.864
184 HH12 ARG 19 2HH1 ARG 19 -2.949 8.615 -0.540
185 HH21 ARG 19 1HH2 ARG 19 -5.887 7.514 1.093
186 HH22 ARG 19 2HH2 ARG 19 -5.024 8.921 0.620
187 H CYS 20 H CYS 20 -7.357 3.689 1.777
188 HA CYS 20 HA CYS 20 -9.351 1.667 1.049
189 HB2 CYS 20 1HB CYS 20 -9.550 3.833 3.152
190 HB3 CYS 20 2HB CYS 20 -10.896 2.853 2.607
191 H TRP 21 H TRP 21 -11.335 2.615 0.018
192 HA TRP 21 HA TRP 21 -10.627 4.531 -1.930
193 HD1 TRP 21 1HD TRP 21 -15.136 4.310 -3.067
194 HE1 TRP 21 HE1 TRP 21 -17.116 4.821 -1.399
195 HE3 TRP 21 HE3 TRP 21 -12.431 3.619 1.183
196 HZ2 TRP 21 HZ2 TRP 21 -17.325 4.877 1.446
197 HZ3 TRP 21 HZ3 TRP 21 -13.599 3.922 3.364
198 HH2 TRP 21 2HH TRP 21 -15.960 4.529 3.538
199 HB2 TRP 21 1HB TRP 21 -12.533 3.930 -2.946
200 HB3 TRP 21 2HB TRP 21 -12.421 2.567 -1.849
Start of MODEL 12
1 HA ARG 1 HA ARG 1 -15.628 2.153 1.412
2 HE ARG 1 HE ARG 1 -17.223 -1.120 5.603
3 H1 ARG 1 1H ARG 1 -17.029 2.550 -0.375
4 H2 ARG 1 2H ARG 1 -15.643 1.793 -0.866
5 H3 ARG 1 3H ARG 1 -17.062 0.946 -0.781
6 HB2 ARG 1 1HB ARG 1 -18.145 2.057 1.684
7 HB3 ARG 1 2HB ARG 1 -18.076 0.317 1.483
8 HG2 ARG 1 1HG ARG 1 -16.159 0.767 3.465
9 HG3 ARG 1 2HG ARG 1 -17.379 1.968 3.842
10 HD2 ARG 1 1HD ARG 1 -19.137 0.222 3.892
11 HD3 ARG 1 2HD ARG 1 -17.980 -0.997 3.397
12 HH11 ARG 1 1HH1 ARG 1 -18.899 1.971 5.168
13 HH12 ARG 1 2HH1 ARG 1 -18.795 2.404 6.842
14 HH21 ARG 1 1HH2 ARG 1 -17.092 -0.560 7.749
15 HH22 ARG 1 2HH2 ARG 1 -17.725 0.908 8.378
16 H TRP 2 H TRP 2 -13.853 0.859 0.094
17 HA TRP 2 HA TRP 2 -13.605 -1.710 1.408
18 HD1 TRP 2 HD1 TRP 2 -11.561 -3.372 -2.112
19 HE1 TRP 2 HE1 TRP 2 -10.620 -2.180 -4.270
20 HE3 TRP 2 HE3 TRP 2 -14.650 0.660 -1.871
21 HZ2 TRP 2 HZ2 TRP 2 -11.259 0.260 -5.604
22 HZ3 TRP 2 HZ3 TRP 2 -14.426 2.401 -3.641
23 HH2 TRP 2 HH2 TRP 2 -12.803 2.249 -5.461
24 HB2 TRP 2 1HB TRP 2 -13.534 -3.062 -0.411
25 HB3 TRP 2 2HB TRP 2 -14.774 -1.933 -0.920
26 H CYS 3 H CYS 3 -11.307 -2.478 1.259
27 HA CYS 3 HA CYS 3 -9.506 -0.288 0.531
28 HB2 CYS 3 1HB CYS 3 -9.025 -2.057 2.920
29 HB3 CYS 3 2HB CYS 3 -8.204 -0.574 2.476
30 H VAL 4 H VAL 4 -7.416 -1.021 -0.271
31 HA VAL 4 HA VAL 4 -7.160 -3.905 -0.634
32 HB VAL 4 HB VAL 4 -6.717 -3.679 -2.981
33 HG11 VAL 4 1HG1 VAL 4 -9.111 -3.862 -2.093
34 HG12 VAL 4 2HG1 VAL 4 -9.277 -2.138 -2.502
35 HG13 VAL 4 3HG1 VAL 4 -8.914 -3.325 -3.778
36 HG21 VAL 4 3HG2 VAL 4 -7.458 -0.750 -2.873
37 HG22 VAL 4 1HG2 VAL 4 -5.773 -1.307 -2.733
38 HG23 VAL 4 2HG2 VAL 4 -6.709 -1.664 -4.204
39 H TYR 5 H TYR 5 -4.940 -4.579 -1.046
40 HA TYR 5 HA TYR 5 -3.070 -2.690 0.140
41 HD1 TYR 5 HD2 TYR 5 -4.737 -3.782 1.539
42 HD2 TYR 5 HD1 TYR 5 -3.141 -7.551 0.294
43 HE1 TYR 5 HE2 TYR 5 -6.521 -4.991 2.888
44 HE2 TYR 5 HE1 TYR 5 -4.930 -8.747 1.646
45 HH TYR 5 HH TYR 5 -7.074 -6.965 3.775
46 HB2 TYR 5 1HB TYR 5 -2.447 -5.517 -0.795
47 HB3 TYR 5 2HB TYR 5 -1.889 -4.714 0.660
48 H ALA 6 H ALA 6 -1.073 -2.096 -0.832
49 HA ALA 6 HA ALA 6 -0.588 -2.974 -3.546
50 HB1 ALA 6 3HB ALA 6 -1.860 -1.205 -4.286
51 HB2 ALA 6 1HB ALA 6 -1.613 -0.262 -2.797
52 HB3 ALA 6 2HB ALA 6 -0.324 -0.344 -4.022
53 H TYR 7 H TYR 7 1.590 -2.227 -4.303
54 HA TYR 7 HA TYR 7 3.350 -1.948 -1.976
55 HD1 TYR 7 HD1 TYR 7 4.331 -4.737 -1.863
56 HD2 TYR 7 HD2 TYR 7 2.239 -4.193 -5.555
57 HE1 TYR 7 HE1 TYR 7 3.322 -7.061 -1.642
58 HE2 TYR 7 HE2 TYR 7 1.238 -6.518 -5.322
59 HH TYR 7 HH TYR 7 2.018 -8.699 -4.102
60 HB2 TYR 7 1HB TYR 7 3.946 -2.650 -4.911
61 HB3 TYR 7 2HB TYR 7 4.989 -2.967 -3.539
62 H VAL 8 H VAL 8 5.071 -0.412 -1.967
63 HA VAL 8 HA VAL 8 5.059 1.533 -4.136
64 HB VAL 8 HB VAL 8 3.491 2.503 -2.657
65 HG11 VAL 8 1HG1 VAL 8 3.570 2.547 -0.342
66 HG12 VAL 8 2HG1 VAL 8 4.333 0.978 -0.695
67 HG13 VAL 8 3HG1 VAL 8 5.342 2.388 -0.290
68 HG21 VAL 8 3HG2 VAL 8 6.207 3.745 -2.098
69 HG22 VAL 8 1HG2 VAL 8 5.189 4.047 -3.527
70 HG23 VAL 8 2HG2 VAL 8 4.630 4.550 -1.913
71 H ARG 9 H ARG 9 7.038 2.854 -4.161
72 HA ARG 9 HA ARG 9 9.192 1.312 -3.020
73 HE ARG 9 HE ARG 9 10.828 2.855 -7.595
74 HB2 ARG 9 1HB ARG 9 9.737 1.681 -5.258
75 HB3 ARG 9 2HB ARG 9 8.876 3.206 -5.331
76 HG2 ARG 9 1HG ARG 9 10.664 4.422 -4.369
77 HG3 ARG 9 2HG ARG 9 11.357 3.004 -3.608
78 HD2 ARG 9 1HD ARG 9 12.700 3.766 -5.581
79 HD3 ARG 9 2HD ARG 9 12.108 2.129 -5.782
80 HH11 ARG 9 1HH1 ARG 9 11.648 5.671 -5.607
81 HH12 ARG 9 2HH1 ARG 9 10.966 6.810 -6.720
82 HH21 ARG 9 1HH2 ARG 9 9.955 4.319 -9.019
83 HH22 ARG 9 2HH2 ARG 9 9.961 6.015 -8.745
84 H ILE 10 H ILE 10 9.939 1.977 -1.029
85 HA ILE 10 HA ILE 10 10.276 4.853 -0.635
86 HB ILE 10 HB ILE 10 8.645 2.974 1.011
87 HG12 ILE 10 1HG1 ILE 10 8.107 5.175 -0.601
88 HG13 ILE 10 2HG1 ILE 10 7.010 4.402 0.525
89 HG21 ILE 10 1HG2 ILE 10 10.310 5.246 2.112
90 HG22 ILE 10 2HG2 ILE 10 8.876 4.588 2.937
91 HG23 ILE 10 3HG2 ILE 10 10.284 3.543 2.630
92 HD11 ILE 10 3HD1 ILE 10 7.335 6.932 0.825
93 HD12 ILE 10 1HD1 ILE 10 7.556 5.945 2.289
94 HD13 ILE 10 2HD1 ILE 10 8.975 6.556 1.406
95 H ARG 11 H ARG 11 12.244 5.379 0.220
96 HA ARG 11 HA ARG 11 14.248 5.157 0.995
97 HE ARG 11 HE ARG 11 14.763 3.386 5.318
98 HB2 ARG 11 1HB ARG 11 12.855 2.932 2.484
99 HB3 ARG 11 2HB ARG 11 14.605 2.972 2.559
100 HG2 ARG 11 1HG ARG 11 13.196 5.583 3.014
101 HG3 ARG 11 2HG ARG 11 13.011 4.372 4.268
102 HD2 ARG 11 1HD ARG 11 15.784 4.910 3.187
103 HD3 ARG 11 2HD ARG 11 15.079 6.073 4.291
104 HH11 ARG 11 1HH1 ARG 11 17.165 5.962 4.935
105 HH12 ARG 11 2HH1 ARG 11 18.124 5.438 6.279
106 HH21 ARG 11 1HH2 ARG 11 15.996 2.717 7.041
107 HH22 ARG 11 2HH2 ARG 11 17.436 3.514 7.532
108 H GLY 12 H GLY 12 13.624 4.048 -1.605
109 HA3 GLY 12 2HA GLY 12 15.975 2.616 -2.157
110 H VAL 13 H VAL 13 12.940 1.591 -0.802
111 HA VAL 13 HA VAL 13 13.505 -1.171 -1.627
112 HB VAL 13 HB VAL 13 12.431 -0.471 1.085
113 HG11 VAL 13 1HG1 VAL 13 13.314 -2.861 -0.334
114 HG12 VAL 13 2HG1 VAL 13 14.144 -2.666 1.228
115 HG13 VAL 13 3HG1 VAL 13 12.366 -2.706 1.164
116 HG21 VAL 13 3HG2 VAL 13 15.077 -0.938 1.595
117 HG22 VAL 13 1HG2 VAL 13 15.170 0.018 0.097
118 HG23 VAL 13 2HG2 VAL 13 14.325 0.674 1.520
119 H LEU 14 H LEU 14 11.538 -2.615 -1.393
120 HA LEU 14 HA LEU 14 9.193 -1.060 -2.198
121 HG LEU 14 HG LEU 14 7.635 -3.762 -3.771
122 HB2 LEU 14 1HB LEU 14 10.370 -2.942 -3.597
123 HB3 LEU 14 2HB LEU 14 9.469 -4.020 -2.549
124 HD11 LEU 14 1HD1 LEU 14 6.443 -1.700 -3.982
125 HD12 LEU 14 2HD1 LEU 14 7.207 -1.732 -2.374
126 HD13 LEU 14 3HD1 LEU 14 7.917 -0.749 -3.678
127 HD21 LEU 14 3HD2 LEU 14 9.298 -1.906 -5.496
128 HD22 LEU 14 1HD2 LEU 14 9.202 -3.678 -5.633
129 HD23 LEU 14 2HD2 LEU 14 7.767 -2.680 -5.970
130 H VAL 15 H VAL 15 7.669 -0.710 -0.685
131 HA VAL 15 HA VAL 15 7.386 -2.769 1.394
132 HB VAL 15 HB VAL 15 6.733 0.143 1.769
133 HG11 VAL 15 1HG1 VAL 15 5.859 -1.568 3.368
134 HG12 VAL 15 2HG1 VAL 15 7.540 -2.004 3.758
135 HG13 VAL 15 3HG1 VAL 15 6.938 -0.368 4.120
136 HG21 VAL 15 3HG2 VAL 15 8.969 0.434 1.264
137 HG22 VAL 15 1HG2 VAL 15 9.052 0.112 3.013
138 HG23 VAL 15 2HG2 VAL 15 9.427 -1.183 1.851
139 H ARG 16 H ARG 16 5.213 -3.216 2.113
140 HA ARG 16 HA ARG 16 3.324 -2.616 0.010
141 HE ARG 16 HE ARG 16 5.601 -7.099 -0.128
142 HB2 ARG 16 1HB ARG 16 2.693 -4.494 2.293
143 HB3 ARG 16 2HB ARG 16 2.197 -4.598 0.615
144 HG2 ARG 16 1HG ARG 16 4.721 -4.981 0.077
145 HG3 ARG 16 2HG ARG 16 4.926 -5.249 1.797
146 HD2 ARG 16 1HD ARG 16 3.510 -7.178 1.793
147 HD3 ARG 16 2HD ARG 16 2.778 -6.753 0.258
148 HH11 ARG 16 1HH1 ARG 16 2.689 -9.009 0.527
149 HH12 ARG 16 2HH1 ARG 16 3.313 -10.444 -0.214
150 HH21 ARG 16 1HH2 ARG 16 6.397 -8.943 -1.078
151 HH22 ARG 16 2HH2 ARG 16 5.512 -10.412 -1.168
152 H TYR 17 H TYR 17 1.096 -1.918 0.572
153 HA TYR 17 HA TYR 17 0.689 -0.985 3.287
154 HD1 TYR 17 HD2 TYR 17 -1.479 1.603 0.799
155 HD2 TYR 17 HD1 TYR 17 2.451 0.385 -0.372
156 HE1 TYR 17 HE2 TYR 17 -2.032 2.126 -1.626
157 HE2 TYR 17 HE1 TYR 17 1.885 0.913 -2.794
158 HH TYR 17 HH TYR 17 0.447 1.884 -4.133
159 HB2 TYR 17 1HB TYR 17 0.308 1.336 2.456
160 HB3 TYR 17 2HB TYR 17 1.916 0.831 1.975
161 H ARG 18 H ARG 18 -1.593 0.117 3.409
162 HA ARG 18 HA ARG 18 -3.319 -1.172 1.460
163 HE ARG 18 HE ARG 18 -4.960 -3.455 5.286
164 HB2 ARG 18 1HB ARG 18 -3.882 -1.040 4.464
165 HB3 ARG 18 2HB ARG 18 -4.884 -1.824 3.259
166 HG2 ARG 18 1HG ARG 18 -3.558 -3.690 3.187
167 HG3 ARG 18 2HG ARG 18 -2.076 -2.756 3.193
168 HD2 ARG 18 1HD ARG 18 -2.062 -3.957 5.267
169 HD3 ARG 18 2HD ARG 18 -2.498 -2.316 5.698
170 HH11 ARG 18 1HH1 ARG 18 -2.164 -4.494 7.199
171 HH12 ARG 18 2HH1 ARG 18 -3.121 -5.343 8.366
172 HH21 ARG 18 1HH2 ARG 18 -6.184 -4.546 6.785
173 HH22 ARG 18 2HH2 ARG 18 -5.506 -5.378 8.127
174 H ARG 19 H ARG 19 -4.951 0.181 0.681
175 HA ARG 19 HA ARG 19 -5.335 2.644 2.183
176 HE ARG 19 HE ARG 19 -5.399 5.506 0.552
177 HB2 ARG 19 1HB ARG 19 -5.034 2.209 -0.816
178 HB3 ARG 19 2HB ARG 19 -5.850 3.632 -0.200
179 HG2 ARG 19 1HG ARG 19 -3.622 3.737 1.353
180 HG3 ARG 19 2HG ARG 19 -2.948 2.875 -0.016
181 HD2 ARG 19 1HD ARG 19 -2.628 5.251 -0.420
182 HD3 ARG 19 2HD ARG 19 -3.849 4.688 -1.544
183 HH11 ARG 19 1HH1 ARG 19 -2.717 7.101 -1.128
184 HH12 ARG 19 2HH1 ARG 19 -3.314 8.698 -0.824
185 HH21 ARG 19 1HH2 ARG 19 -6.159 7.557 0.940
186 HH22 ARG 19 2HH2 ARG 19 -5.354 8.976 0.401
187 H CYS 20 H CYS 20 -7.527 3.709 1.701
188 HA CYS 20 HA CYS 20 -9.492 1.631 1.055
189 HB2 CYS 20 1HB CYS 20 -9.700 3.848 3.102
190 HB3 CYS 20 2HB CYS 20 -11.030 2.815 2.615
191 H TRP 21 H TRP 21 -11.511 2.506 0.034
192 HA TRP 21 HA TRP 21 -10.882 4.392 -1.970
193 HD1 TRP 21 1HD TRP 21 -15.403 4.031 -3.026
194 HE1 TRP 21 HE1 TRP 21 -17.368 4.533 -1.337
195 HE3 TRP 21 HE3 TRP 21 -12.611 3.513 1.193
196 HZ2 TRP 21 HZ2 TRP 21 -17.530 4.654 1.510
197 HZ3 TRP 21 HZ3 TRP 21 -13.750 3.840 3.386
198 HH2 TRP 21 2HH TRP 21 -16.122 4.392 3.586
199 HB2 TRP 21 1HB TRP 21 -12.789 3.720 -2.940
200 HB3 TRP 21 2HB TRP 21 -12.626 2.387 -1.814
Start of MODEL 13
1 HA ARG 1 HA ARG 1 -15.825 1.963 -0.070
2 HE ARG 1 HE ARG 1 -18.792 -0.930 4.923
3 H1 ARG 1 1H ARG 1 -18.108 1.911 -0.383
4 H2 ARG 1 2H ARG 1 -17.349 0.818 -1.366
5 H3 ARG 1 3H ARG 1 -18.177 0.294 -0.033
6 HB2 ARG 1 1HB ARG 1 -15.873 1.996 2.316
7 HB3 ARG 1 2HB ARG 1 -17.546 2.245 1.861
8 HG2 ARG 1 1HG ARG 1 -17.885 -0.287 2.088
9 HG3 ARG 1 2HG ARG 1 -16.270 -0.377 2.762
10 HD2 ARG 1 1HD ARG 1 -17.002 1.349 4.512
11 HD3 ARG 1 2HD ARG 1 -18.636 1.181 3.903
12 HH11 ARG 1 1HH1 ARG 1 -15.403 0.101 4.886
13 HH12 ARG 1 2HH1 ARG 1 -14.870 -1.186 5.915
14 HH21 ARG 1 1HH2 ARG 1 -18.105 -2.580 6.242
15 HH22 ARG 1 2HH2 ARG 1 -16.467 -2.780 6.723
16 H TRP 2 H TRP 2 -13.920 0.816 -0.298
17 HA TRP 2 HA TRP 2 -13.792 -1.903 0.691
18 HD1 TRP 2 HD1 TRP 2 -11.310 -3.021 -2.783
19 HE1 TRP 2 HE1 TRP 2 -10.211 -1.521 -4.656
20 HE3 TRP 2 HE3 TRP 2 -14.577 0.849 -2.336
21 HZ2 TRP 2 HZ2 TRP 2 -10.819 1.058 -5.716
22 HZ3 TRP 2 HZ3 TRP 2 -14.254 2.820 -3.828
23 HH2 TRP 2 HH2 TRP 2 -12.453 2.963 -5.474
24 HB2 TRP 2 1HB TRP 2 -13.455 -3.002 -1.273
25 HB3 TRP 2 2HB TRP 2 -14.684 -1.848 -1.751
26 H CYS 3 H CYS 3 -11.482 -2.646 0.721
27 HA CYS 3 HA CYS 3 -9.637 -0.386 0.491
28 HB2 CYS 3 1HB CYS 3 -9.612 -2.420 2.728
29 HB3 CYS 3 2HB CYS 3 -8.501 -1.082 2.516
30 H VAL 4 H VAL 4 -7.472 -1.009 -0.169
31 HA VAL 4 HA VAL 4 -7.036 -3.825 -0.718
32 HB VAL 4 HB VAL 4 -6.567 -3.503 -3.035
33 HG11 VAL 4 1HG1 VAL 4 -8.802 -2.916 -3.908
34 HG12 VAL 4 2HG1 VAL 4 -8.898 -3.976 -2.481
35 HG13 VAL 4 3HG1 VAL 4 -9.234 -2.235 -2.322
36 HG21 VAL 4 3HG2 VAL 4 -6.556 -1.469 -4.193
37 HG22 VAL 4 1HG2 VAL 4 -7.468 -0.625 -2.918
38 HG23 VAL 4 2HG2 VAL 4 -5.766 -1.072 -2.648
39 H TYR 5 H TYR 5 -4.770 -4.329 -1.021
40 HA TYR 5 HA TYR 5 -3.078 -2.280 0.190
41 HD1 TYR 5 HD1 TYR 5 -4.488 -3.378 1.918
42 HD2 TYR 5 HD2 TYR 5 -3.152 -7.113 0.315
43 HE1 TYR 5 HE1 TYR 5 -6.267 -4.600 3.263
44 HE2 TYR 5 HE2 TYR 5 -4.935 -8.322 1.665
45 HH TYR 5 HH TYR 5 -6.195 -7.863 3.798
46 HB2 TYR 5 1HB TYR 5 -2.260 -5.119 -0.535
47 HB3 TYR 5 2HB TYR 5 -1.813 -4.198 0.887
48 H ALA 6 H ALA 6 -0.976 -1.762 -0.690
49 HA ALA 6 HA ALA 6 -0.410 -2.703 -3.367
50 HB1 ALA 6 3HB ALA 6 -0.114 -0.134 -3.958
51 HB2 ALA 6 1HB ALA 6 -1.698 -0.929 -4.130
52 HB3 ALA 6 2HB ALA 6 -1.356 0.074 -2.700
53 H TYR 7 H TYR 7 1.800 -1.990 -4.066
54 HA TYR 7 HA TYR 7 3.469 -1.567 -1.684
55 HD1 TYR 7 HD2 TYR 7 3.396 -3.966 -1.043
56 HD2 TYR 7 HD1 TYR 7 3.282 -4.581 -5.276
57 HE1 TYR 7 HE2 TYR 7 2.221 -6.193 -0.695
58 HE2 TYR 7 HE1 TYR 7 2.107 -6.807 -4.913
59 HH TYR 7 HH TYR 7 1.149 -7.831 -1.664
60 HB2 TYR 7 1HB TYR 7 4.223 -2.633 -4.464
61 HB3 TYR 7 2HB TYR 7 5.117 -2.867 -2.975
62 H VAL 8 H VAL 8 4.970 0.093 -1.632
63 HA VAL 8 HA VAL 8 5.120 1.738 -4.061
64 HB VAL 8 HB VAL 8 3.685 2.904 -2.601
65 HG11 VAL 8 1HG1 VAL 8 3.639 2.331 -0.441
66 HG12 VAL 8 2HG1 VAL 8 5.285 1.658 -0.514
67 HG13 VAL 8 3HG1 VAL 8 5.047 3.395 -0.209
68 HG21 VAL 8 3HG2 VAL 8 5.434 4.287 -3.627
69 HG22 VAL 8 1HG2 VAL 8 4.965 4.923 -2.032
70 HG23 VAL 8 2HG2 VAL 8 6.485 4.016 -2.216
71 H ARG 9 H ARG 9 7.157 2.891 -4.343
72 HA ARG 9 HA ARG 9 9.295 1.331 -3.235
73 HE ARG 9 HE ARG 9 10.193 4.026 -7.149
74 HB2 ARG 9 1HB ARG 9 9.733 1.646 -5.504
75 HB3 ARG 9 2HB ARG 9 8.935 3.206 -5.554
76 HG2 ARG 9 1HG ARG 9 10.824 4.352 -4.680
77 HG3 ARG 9 2HG ARG 9 11.512 2.897 -3.986
78 HD2 ARG 9 1HD ARG 9 12.750 3.619 -6.032
79 HD3 ARG 9 2HD ARG 9 12.057 2.021 -6.226
80 HH11 ARG 9 1HH1 ARG 9 13.187 2.380 -8.088
81 HH12 ARG 9 2HH1 ARG 9 12.920 2.597 -9.786
82 HH21 ARG 9 1HH2 ARG 9 9.855 4.303 -9.327
83 HH22 ARG 9 2HH2 ARG 9 10.946 3.736 -10.527
84 H ILE 10 H ILE 10 10.036 1.987 -1.229
85 HA ILE 10 HA ILE 10 10.654 4.828 -0.937
86 HB ILE 10 HB ILE 10 8.993 3.148 0.927
87 HG12 ILE 10 1HG1 ILE 10 8.348 5.034 -1.041
88 HG13 ILE 10 2HG1 ILE 10 7.287 4.356 0.177
89 HG21 ILE 10 1HG2 ILE 10 9.236 4.806 2.646
90 HG22 ILE 10 2HG2 ILE 10 10.855 4.229 2.183
91 HG23 ILE 10 3HG2 ILE 10 10.274 5.808 1.603
92 HD11 ILE 10 3HD1 ILE 10 8.004 6.157 1.778
93 HD12 ILE 10 1HD1 ILE 10 8.996 6.868 0.481
94 HD13 ILE 10 2HD1 ILE 10 7.225 6.804 0.314
95 H ARG 11 H ARG 11 12.648 5.200 -0.042
96 HA ARG 11 HA ARG 11 14.616 4.810 0.758
97 HE ARG 11 HE ARG 11 14.431 4.361 5.495
98 HB2 ARG 11 1HB ARG 11 13.243 2.469 2.168
99 HB3 ARG 11 2HB ARG 11 14.905 2.925 2.484
100 HG2 ARG 11 1HG ARG 11 12.671 4.977 2.684
101 HG3 ARG 11 2HG ARG 11 13.020 3.902 4.024
102 HD2 ARG 11 1HD ARG 11 15.455 5.161 2.898
103 HD3 ARG 11 2HD ARG 11 14.305 6.333 3.510
104 HH11 ARG 11 1HH1 ARG 11 16.760 6.526 3.931
105 HH12 ARG 11 2HH1 ARG 11 17.798 6.612 5.316
106 HH21 ARG 11 1HH2 ARG 11 15.766 4.473 7.268
107 HH22 ARG 11 2HH2 ARG 11 17.214 5.397 7.297
108 H GLY 12 H GLY 12 13.901 3.714 -1.834
109 HA3 GLY 12 2HA GLY 12 16.128 2.089 -2.357
110 H VAL 13 H VAL 13 12.999 1.336 -1.015
111 HA VAL 13 HA VAL 13 13.320 -1.471 -1.807
112 HB VAL 13 HB VAL 13 12.444 -0.652 0.947
113 HG11 VAL 13 1HG1 VAL 13 13.513 -3.173 -0.336
114 HG12 VAL 13 2HG1 VAL 13 13.485 -2.948 1.430
115 HG13 VAL 13 3HG1 VAL 13 11.965 -2.917 0.504
116 HG21 VAL 13 3HG2 VAL 13 14.479 0.231 1.317
117 HG22 VAL 13 1HG2 VAL 13 15.055 -1.453 1.292
118 HG23 VAL 13 2HG2 VAL 13 15.155 -0.457 -0.180
119 H LEU 14 H LEU 14 11.238 -2.736 -1.454
120 HA LEU 14 HA LEU 14 9.013 -0.985 -2.193
121 HG LEU 14 HG LEU 14 7.156 -3.558 -3.660
122 HB2 LEU 14 1HB LEU 14 9.954 -2.981 -3.609
123 HB3 LEU 14 2HB LEU 14 9.007 -3.961 -2.508
124 HD11 LEU 14 1HD1 LEU 14 7.695 -0.580 -3.617
125 HD12 LEU 14 2HD1 LEU 14 6.133 -1.405 -3.839
126 HD13 LEU 14 3HD1 LEU 14 6.968 -1.486 -2.268
127 HD21 LEU 14 3HD2 LEU 14 8.624 -3.630 -5.592
128 HD22 LEU 14 1HD2 LEU 14 7.290 -2.485 -5.873
129 HD23 LEU 14 2HD2 LEU 14 8.914 -1.878 -5.469
130 H VAL 15 H VAL 15 7.625 -0.458 -0.601
131 HA VAL 15 HA VAL 15 7.323 -2.405 1.579
132 HB VAL 15 HB VAL 15 6.518 0.451 1.855
133 HG11 VAL 15 1HG1 VAL 15 7.371 -1.817 3.598
134 HG12 VAL 15 2HG1 VAL 15 7.773 -0.168 4.137
135 HG13 VAL 15 3HG1 VAL 15 6.078 -0.615 3.827
136 HG21 VAL 15 3HG2 VAL 15 8.694 0.663 0.780
137 HG22 VAL 15 1HG2 VAL 15 8.818 1.096 2.502
138 HG23 VAL 15 2HG2 VAL 15 9.405 -0.487 1.937
139 H ARG 16 H ARG 16 5.225 -2.995 2.250
140 HA ARG 16 HA ARG 16 3.247 -2.435 0.223
141 HE ARG 16 HE ARG 16 4.273 -7.533 2.908
142 HB2 ARG 16 1HB ARG 16 2.748 -4.341 2.515
143 HB3 ARG 16 2HB ARG 16 2.210 -4.456 0.851
144 HG2 ARG 16 1HG ARG 16 4.703 -4.778 0.218
145 HG3 ARG 16 2HG ARG 16 5.011 -4.983 1.931
146 HD2 ARG 16 1HD ARG 16 2.758 -6.646 1.308
147 HD3 ARG 16 2HD ARG 16 3.936 -6.911 0.038
148 HH11 ARG 16 1HH1 ARG 16 5.835 -7.234 -0.258
149 HH12 ARG 16 2HH1 ARG 16 7.199 -8.205 0.185
150 HH21 ARG 16 1HH2 ARG 16 6.024 -8.779 3.472
151 HH22 ARG 16 2HH2 ARG 16 7.317 -9.125 2.395
152 H TYR 17 H TYR 17 1.108 -1.634 0.773
153 HA TYR 17 HA TYR 17 0.686 -0.818 3.533
154 HD1 TYR 17 HD1 TYR 17 -1.393 1.742 0.844
155 HD2 TYR 17 HD2 TYR 17 2.676 0.649 0.102
156 HE1 TYR 17 HE1 TYR 17 -1.698 2.257 -1.627
157 HE2 TYR 17 HE2 TYR 17 2.358 1.167 -2.367
158 HH TYR 17 HH TYR 17 -0.566 2.693 -3.525
159 HB2 TYR 17 1HB TYR 17 0.214 1.523 2.683
160 HB3 TYR 17 2HB TYR 17 1.879 1.070 2.378
161 H ARG 18 H ARG 18 -1.577 -0.077 3.908
162 HA ARG 18 HA ARG 18 -3.307 -1.336 1.937
163 HE ARG 18 HE ARG 18 -4.940 -2.390 6.660
164 HB2 ARG 18 1HB ARG 18 -3.855 -0.836 4.907
165 HB3 ARG 18 2HB ARG 18 -4.901 -1.713 3.809
166 HG2 ARG 18 1HG ARG 18 -3.537 -3.595 3.774
167 HG3 ARG 18 2HG ARG 18 -2.062 -2.669 3.971
168 HD2 ARG 18 1HD ARG 18 -2.546 -3.997 6.012
169 HD3 ARG 18 2HD ARG 18 -2.586 -2.282 6.366
170 HH11 ARG 18 1HH1 ARG 18 -3.687 -5.488 5.483
171 HH12 ARG 18 2HH1 ARG 18 -5.149 -6.351 5.824
172 HH21 ARG 18 1HH2 ARG 18 -6.814 -3.501 7.096
173 HH22 ARG 18 2HH2 ARG 18 -7.008 -5.179 6.781
174 H ARG 19 H ARG 19 -5.011 -0.123 1.047
175 HA ARG 19 HA ARG 19 -5.312 2.550 2.163
176 HE ARG 19 HE ARG 19 -5.467 5.114 0.064
177 HB2 ARG 19 1HB ARG 19 -5.167 1.639 -0.740
178 HB3 ARG 19 2HB ARG 19 -5.947 3.151 -0.319
179 HG2 ARG 19 1HG ARG 19 -3.644 3.482 1.083
180 HG3 ARG 19 2HG ARG 19 -3.041 2.400 -0.156
181 HD2 ARG 19 1HD ARG 19 -2.731 4.672 -0.961
182 HD3 ARG 19 2HD ARG 19 -4.010 3.949 -1.916
183 HH11 ARG 19 1HH1 ARG 19 -2.797 6.396 -1.882
184 HH12 ARG 19 2HH1 ARG 19 -3.354 8.034 -1.791
185 HH21 ARG 19 1HH2 ARG 19 -6.177 7.216 0.177
186 HH22 ARG 19 2HH2 ARG 19 -5.358 8.527 -0.572
187 H CYS 20 H CYS 20 -7.520 3.554 1.625
188 HA CYS 20 HA CYS 20 -9.535 1.475 1.215
189 HB2 CYS 20 1HB CYS 20 -9.426 3.516 3.431
190 HB3 CYS 20 2HB CYS 20 -10.936 2.794 2.913
191 H TRP 21 H TRP 21 -11.617 2.406 0.382
192 HA TRP 21 HA TRP 21 -11.115 4.369 -1.584
193 HD1 TRP 21 1HD TRP 21 -15.718 4.023 -2.319
194 HE1 TRP 21 HE1 TRP 21 -17.546 4.466 -0.468
195 HE3 TRP 21 HE3 TRP 21 -12.599 3.420 1.651
196 HZ2 TRP 21 HZ2 TRP 21 -17.484 4.513 2.384
197 HZ3 TRP 21 HZ3 TRP 21 -13.563 3.681 3.935
198 HH2 TRP 21 2HH TRP 21 -15.915 4.209 4.336
199 HB2 TRP 21 1HB TRP 21 -13.095 3.753 -2.442
200 HB3 TRP 21 2HB TRP 21 -12.856 2.369 -1.395
Start of MODEL 14
1 HA ARG 1 HA ARG 1 -15.452 2.658 0.060
2 HE ARG 1 HE ARG 1 -19.304 1.113 4.643
3 H1 ARG 1 1H ARG 1 -17.743 2.852 -0.097
4 H2 ARG 1 2H ARG 1 -17.180 1.654 -1.090
5 H3 ARG 1 3H ARG 1 -17.964 1.263 0.314
6 HB2 ARG 1 1HB ARG 1 -15.331 2.780 2.435
7 HB3 ARG 1 2HB ARG 1 -17.005 3.171 2.093
8 HG2 ARG 1 1HG ARG 1 -17.475 0.620 2.388
9 HG3 ARG 1 2HG ARG 1 -15.875 0.530 3.098
10 HD2 ARG 1 1HD ARG 1 -16.488 1.730 4.998
11 HD3 ARG 1 2HD ARG 1 -17.666 2.704 4.140
12 HH11 ARG 1 1HH1 ARG 1 -16.118 -0.389 5.029
13 HH12 ARG 1 2HH1 ARG 1 -16.754 -1.859 5.688
14 HH21 ARG 1 1HH2 ARG 1 -20.114 -0.774 5.489
15 HH22 ARG 1 2HH2 ARG 1 -19.123 -2.094 5.964
16 H TRP 2 H TRP 2 -13.680 1.309 -0.192
17 HA TRP 2 HA TRP 2 -13.814 -1.393 0.842
18 HD1 TRP 2 HD1 TRP 2 -11.566 -2.857 -2.601
19 HE1 TRP 2 HE1 TRP 2 -10.348 -1.572 -4.557
20 HE3 TRP 2 HE3 TRP 2 -14.414 1.346 -2.319
21 HZ2 TRP 2 HZ2 TRP 2 -10.703 1.000 -5.740
22 HZ3 TRP 2 HZ3 TRP 2 -13.912 3.197 -3.911
23 HH2 TRP 2 HH2 TRP 2 -12.130 3.073 -5.580
24 HB2 TRP 2 1HB TRP 2 -13.712 -2.552 -1.105
25 HB3 TRP 2 2HB TRP 2 -14.783 -1.249 -1.580
26 H CYS 3 H CYS 3 -11.598 -2.393 0.777
27 HA CYS 3 HA CYS 3 -9.526 -0.354 0.440
28 HB2 CYS 3 1HB CYS 3 -9.707 -2.326 2.727
29 HB3 CYS 3 2HB CYS 3 -8.379 -1.224 2.426
30 H VAL 4 H VAL 4 -7.382 -1.308 -0.088
31 HA VAL 4 HA VAL 4 -7.352 -4.132 -0.702
32 HB VAL 4 HB VAL 4 -6.784 -3.822 -3.028
33 HG11 VAL 4 1HG1 VAL 4 -9.369 -2.386 -2.332
34 HG12 VAL 4 2HG1 VAL 4 -8.973 -3.133 -3.898
35 HG13 VAL 4 3HG1 VAL 4 -9.150 -4.148 -2.447
36 HG21 VAL 4 3HG2 VAL 4 -5.811 -1.484 -2.651
37 HG22 VAL 4 1HG2 VAL 4 -6.719 -1.748 -4.158
38 HG23 VAL 4 2HG2 VAL 4 -7.481 -0.886 -2.799
39 H TYR 5 H TYR 5 -5.146 -4.898 -1.156
40 HA TYR 5 HA TYR 5 -3.227 -3.244 0.259
41 HD1 TYR 5 HD1 TYR 5 -4.679 -4.589 1.832
42 HD2 TYR 5 HD2 TYR 5 -3.785 -7.951 -0.659
43 HE1 TYR 5 HE1 TYR 5 -6.553 -5.910 2.930
44 HE2 TYR 5 HE2 TYR 5 -5.662 -9.261 0.448
45 HH TYR 5 HH TYR 5 -7.301 -9.213 1.853
46 HB2 TYR 5 1HB TYR 5 -2.667 -5.938 -1.031
47 HB3 TYR 5 2HB TYR 5 -2.146 -5.363 0.540
48 H ALA 6 H ALA 6 -1.317 -2.416 -0.610
49 HA ALA 6 HA ALA 6 -0.658 -3.058 -3.352
50 HB1 ALA 6 3HB ALA 6 -2.071 -0.607 -2.546
51 HB2 ALA 6 1HB ALA 6 -0.545 -0.283 -3.404
52 HB3 ALA 6 2HB ALA 6 -1.800 -1.287 -4.169
53 H TYR 7 H TYR 7 1.487 -2.024 -3.953
54 HA TYR 7 HA TYR 7 3.092 -1.689 -1.509
55 HD1 TYR 7 HD2 TYR 7 3.536 -4.211 -0.950
56 HD2 TYR 7 HD1 TYR 7 2.849 -4.463 -5.165
57 HE1 TYR 7 HE2 TYR 7 2.541 -6.532 -0.656
58 HE2 TYR 7 HE1 TYR 7 1.857 -6.784 -4.857
59 HH TYR 7 HH TYR 7 0.726 -8.025 -3.005
60 HB2 TYR 7 1HB TYR 7 3.937 -2.598 -4.321
61 HB3 TYR 7 2HB TYR 7 4.856 -2.800 -2.843
62 H VAL 8 H VAL 8 4.953 -0.228 -1.657
63 HA VAL 8 HA VAL 8 4.849 1.632 -3.899
64 HB VAL 8 HB VAL 8 3.525 2.902 -2.561
65 HG11 VAL 8 1HG1 VAL 8 3.418 1.231 -0.728
66 HG12 VAL 8 2HG1 VAL 8 4.943 1.879 -0.077
67 HG13 VAL 8 3HG1 VAL 8 3.490 2.906 -0.130
68 HG21 VAL 8 3HG2 VAL 8 6.320 3.525 -1.552
69 HG22 VAL 8 1HG2 VAL 8 5.498 4.235 -2.962
70 HG23 VAL 8 2HG2 VAL 8 4.903 4.577 -1.320
71 H ARG 9 H ARG 9 6.844 2.926 -4.082
72 HA ARG 9 HA ARG 9 9.039 1.381 -3.021
73 HE ARG 9 HE ARG 9 10.657 3.720 -7.762
74 HB2 ARG 9 1HB ARG 9 9.414 1.643 -5.317
75 HB3 ARG 9 2HB ARG 9 8.629 3.209 -5.378
76 HG2 ARG 9 1HG ARG 9 10.539 4.358 -4.598
77 HG3 ARG 9 2HG ARG 9 11.203 2.939 -3.813
78 HD2 ARG 9 1HD ARG 9 12.579 3.006 -5.688
79 HD3 ARG 9 2HD ARG 9 11.299 1.989 -6.318
80 HH11 ARG 9 1HH1 ARG 9 12.748 5.054 -5.232
81 HH12 ARG 9 2HH1 ARG 9 12.867 6.612 -5.979
82 HH21 ARG 9 1HH2 ARG 9 10.812 5.720 -8.716
83 HH22 ARG 9 2HH2 ARG 9 11.722 7.013 -8.045
84 H ILE 10 H ILE 10 9.843 2.116 -1.073
85 HA ILE 10 HA ILE 10 10.292 4.997 -0.845
86 HB ILE 10 HB ILE 10 8.817 3.221 1.075
87 HG12 ILE 10 1HG1 ILE 10 7.971 5.056 -0.810
88 HG13 ILE 10 2HG1 ILE 10 7.033 4.445 0.538
89 HG21 ILE 10 1HG2 ILE 10 10.085 5.884 1.768
90 HG22 ILE 10 2HG2 ILE 10 9.074 4.869 2.823
91 HG23 ILE 10 3HG2 ILE 10 10.677 4.294 2.306
92 HD11 ILE 10 3HD1 ILE 10 7.005 6.906 0.543
93 HD12 ILE 10 1HD1 ILE 10 7.886 6.314 1.972
94 HD13 ILE 10 2HD1 ILE 10 8.784 6.947 0.572
95 H ARG 11 H ARG 11 12.293 5.527 -0.043
96 HA ARG 11 HA ARG 11 14.328 5.287 0.639
97 HE ARG 11 HE ARG 11 13.855 5.198 5.640
98 HB2 ARG 11 1HB ARG 11 12.931 3.180 2.267
99 HB3 ARG 11 2HB ARG 11 14.680 3.089 2.227
100 HG2 ARG 11 1HG ARG 11 13.946 5.857 2.609
101 HG3 ARG 11 2HG ARG 11 13.023 4.894 3.746
102 HD2 ARG 11 1HD ARG 11 15.560 3.738 3.916
103 HD3 ARG 11 2HD ARG 11 15.940 5.431 3.666
104 HH11 ARG 11 1HH1 ARG 11 17.337 4.674 5.243
105 HH12 ARG 11 2HH1 ARG 11 17.690 4.914 6.922
106 HH21 ARG 11 1HH2 ARG 11 14.313 5.504 7.793
107 HH22 ARG 11 2HH2 ARG 11 15.902 5.407 8.439
108 H GLY 12 H GLY 12 13.586 4.130 -1.903
109 HA3 GLY 12 2HA GLY 12 15.882 2.649 -2.522
110 H VAL 13 H VAL 13 12.842 1.698 -1.070
111 HA VAL 13 HA VAL 13 13.362 -1.094 -1.809
112 HB VAL 13 HB VAL 13 12.491 -0.258 0.945
113 HG11 VAL 13 1HG1 VAL 13 13.706 -2.756 -0.265
114 HG12 VAL 13 2HG1 VAL 13 13.605 -2.479 1.491
115 HG13 VAL 13 3HG1 VAL 13 12.118 -2.566 0.517
116 HG21 VAL 13 3HG2 VAL 13 14.487 0.722 1.259
117 HG22 VAL 13 1HG2 VAL 13 15.156 -0.927 1.224
118 HG23 VAL 13 2HG2 VAL 13 15.151 0.062 -0.256
119 H LEU 14 H LEU 14 11.410 -2.503 -1.510
120 HA LEU 14 HA LEU 14 9.039 -0.939 -2.195
121 HG LEU 14 HG LEU 14 7.369 -3.686 -3.589
122 HB2 LEU 14 1HB LEU 14 10.107 -2.867 -3.606
123 HB3 LEU 14 2HB LEU 14 9.272 -3.912 -2.473
124 HD11 LEU 14 1HD1 LEU 14 7.027 -1.624 -2.214
125 HD12 LEU 14 2HD1 LEU 14 7.649 -0.671 -3.583
126 HD13 LEU 14 3HD1 LEU 14 6.161 -1.630 -3.769
127 HD21 LEU 14 3HD2 LEU 14 8.938 -1.883 -5.452
128 HD22 LEU 14 1HD2 LEU 14 8.793 -3.654 -5.553
129 HD23 LEU 14 2HD2 LEU 14 7.363 -2.627 -5.815
130 H VAL 15 H VAL 15 7.644 -0.493 -0.584
131 HA VAL 15 HA VAL 15 7.501 -2.444 1.609
132 HB VAL 15 HB VAL 15 6.539 0.361 1.901
133 HG11 VAL 15 1HG1 VAL 15 6.599 -0.120 4.092
134 HG12 VAL 15 2HG1 VAL 15 6.802 -1.814 3.587
135 HG13 VAL 15 3HG1 VAL 15 8.229 -0.827 3.983
136 HG21 VAL 15 3HG2 VAL 15 9.395 -0.428 1.471
137 HG22 VAL 15 1HG2 VAL 15 8.540 1.068 1.026
138 HG23 VAL 15 2HG2 VAL 15 9.030 0.792 2.715
139 H ARG 16 H ARG 16 5.461 -3.177 2.291
140 HA ARG 16 HA ARG 16 3.406 -2.679 0.320
141 HE ARG 16 HE ARG 16 5.639 -7.093 2.595
142 HB2 ARG 16 1HB ARG 16 3.083 -4.706 2.536
143 HB3 ARG 16 2HB ARG 16 2.520 -4.789 0.879
144 HG2 ARG 16 1HG ARG 16 5.009 -4.927 0.184
145 HG3 ARG 16 2HG ARG 16 5.373 -5.168 1.882
146 HD2 ARG 16 1HD ARG 16 3.208 -6.950 1.204
147 HD3 ARG 16 2HD ARG 16 4.431 -7.112 -0.041
148 HH11 ARG 16 1HH1 ARG 16 3.888 -9.175 0.325
149 HH12 ARG 16 2HH1 ARG 16 4.543 -10.642 0.972
150 HH21 ARG 16 1HH2 ARG 16 6.476 -8.978 3.423
151 HH22 ARG 16 2HH2 ARG 16 6.078 -10.532 2.810
152 H TYR 17 H TYR 17 1.287 -1.934 0.915
153 HA TYR 17 HA TYR 17 0.781 -1.388 3.718
154 HD1 TYR 17 HD2 TYR 17 2.067 -0.325 0.109
155 HD2 TYR 17 HD1 TYR 17 -0.775 2.372 1.828
156 HE1 TYR 17 HE2 TYR 17 1.509 0.572 -2.203
157 HE2 TYR 17 HE1 TYR 17 -1.324 3.260 -0.491
158 HH TYR 17 HH TYR 17 0.397 3.174 -2.904
159 HB2 TYR 17 1HB TYR 17 0.475 1.026 3.237
160 HB3 TYR 17 2HB TYR 17 2.075 0.576 2.681
161 H ARG 18 H ARG 18 -1.499 -0.418 3.976
162 HA ARG 18 HA ARG 18 -3.158 -1.724 1.985
163 HE ARG 18 HE ARG 18 -5.660 -2.247 6.202
164 HB2 ARG 18 1HB ARG 18 -4.049 -0.775 4.744
165 HB3 ARG 18 2HB ARG 18 -4.848 -1.942 3.710
166 HG2 ARG 18 1HG ARG 18 -3.062 -3.572 4.030
167 HG3 ARG 18 2HG ARG 18 -2.047 -2.389 4.833
168 HD2 ARG 18 1HD ARG 18 -3.350 -4.073 6.334
169 HD3 ARG 18 2HD ARG 18 -3.375 -2.385 6.803
170 HH11 ARG 18 1HH1 ARG 18 -4.311 -5.355 5.164
171 HH12 ARG 18 2HH1 ARG 18 -5.858 -6.047 4.805
172 HH21 ARG 18 1HH2 ARG 18 -7.642 -3.138 5.739
173 HH22 ARG 18 2HH2 ARG 18 -7.837 -4.738 5.143
174 H ARG 19 H ARG 19 -4.811 -0.560 0.902
175 HA ARG 19 HA ARG 19 -4.833 2.286 1.521
176 HE ARG 19 HE ARG 19 -5.450 4.570 -1.435
177 HB2 ARG 19 1HB ARG 19 -4.935 0.782 -1.113
178 HB3 ARG 19 2HB ARG 19 -5.671 2.369 -1.010
179 HG2 ARG 19 1HG ARG 19 -3.178 2.723 0.243
180 HG3 ARG 19 2HG ARG 19 -2.816 1.634 -1.081
181 HD2 ARG 19 1HD ARG 19 -2.589 3.951 -1.862
182 HD3 ARG 19 2HD ARG 19 -3.949 3.206 -2.677
183 HH11 ARG 19 1HH1 ARG 19 -2.118 5.030 -0.321
184 HH12 ARG 19 2HH1 ARG 19 -2.487 6.457 0.589
185 HH21 ARG 19 1HH2 ARG 19 -5.919 6.401 -0.266
186 HH22 ARG 19 2HH2 ARG 19 -4.740 7.275 0.625
187 H CYS 20 H CYS 20 -6.976 3.398 0.895
188 HA CYS 20 HA CYS 20 -9.226 1.561 0.886
189 HB2 CYS 20 1HB CYS 20 -8.736 3.650 3.008
190 HB3 CYS 20 2HB CYS 20 -10.334 3.026 2.651
191 H TRP 21 H TRP 21 -11.238 2.693 0.164
192 HA TRP 21 HA TRP 21 -10.669 4.562 -1.876
193 HD1 TRP 21 1HD TRP 21 -15.337 4.646 -2.289
194 HE1 TRP 21 HE1 TRP 21 -16.973 5.312 -0.329
195 HE3 TRP 21 HE3 TRP 21 -11.997 3.869 1.465
196 HZ2 TRP 21 HZ2 TRP 21 -16.693 5.436 2.508
197 HZ3 TRP 21 HZ3 TRP 21 -12.759 4.286 3.802
198 HH2 TRP 21 2HH TRP 21 -15.017 5.043 4.351
199 HB2 TRP 21 1HB TRP 21 -12.757 4.147 -2.587
200 HB3 TRP 21 2HB TRP 21 -12.589 2.757 -1.533
Start of MODEL 15
1 HA ARG 1 HA ARG 1 -15.951 1.993 0.065
2 HE ARG 1 HE ARG 1 -16.235 0.881 5.384
3 H1 ARG 1 1H ARG 1 -18.235 1.964 -0.240
4 H2 ARG 1 2H ARG 1 -17.483 0.936 -1.296
5 H3 ARG 1 3H ARG 1 -18.305 0.327 0.003
6 HB2 ARG 1 1HB ARG 1 -15.982 1.856 2.452
7 HB3 ARG 1 2HB ARG 1 -17.653 2.161 2.018
8 HG2 ARG 1 1HG ARG 1 -18.013 -0.387 2.061
9 HG3 ARG 1 2HG ARG 1 -16.410 -0.525 2.757
10 HD2 ARG 1 1HD ARG 1 -18.144 1.485 4.107
11 HD3 ARG 1 2HD ARG 1 -18.742 -0.158 4.214
12 HH11 ARG 1 1HH1 ARG 1 -18.175 -1.982 4.609
13 HH12 ARG 1 2HH1 ARG 1 -17.349 -3.000 5.741
14 HH21 ARG 1 1HH2 ARG 1 -15.179 -0.430 6.834
15 HH22 ARG 1 2HH2 ARG 1 -15.572 -2.086 7.064
16 H TRP 2 H TRP 2 -14.056 0.857 -0.271
17 HA TRP 2 HA TRP 2 -13.917 -1.915 0.555
18 HD1 TRP 2 HD1 TRP 2 -11.500 -2.895 -2.985
19 HE1 TRP 2 HE1 TRP 2 -10.363 -1.323 -4.774
20 HE3 TRP 2 HE3 TRP 2 -14.659 1.033 -2.313
21 HZ2 TRP 2 HZ2 TRP 2 -10.900 1.327 -5.687
22 HZ3 TRP 2 HZ3 TRP 2 -14.283 3.075 -3.693
23 HH2 TRP 2 HH2 TRP 2 -12.481 3.260 -5.334
24 HB2 TRP 2 1HB TRP 2 -13.641 -2.902 -1.469
25 HB3 TRP 2 2HB TRP 2 -14.838 -1.690 -1.880
26 H CYS 3 H CYS 3 -11.611 -2.659 0.515
27 HA CYS 3 HA CYS 3 -9.766 -0.389 0.392
28 HB2 CYS 3 1HB CYS 3 -9.700 -2.563 2.492
29 HB3 CYS 3 2HB CYS 3 -8.601 -1.205 2.351
30 H VAL 4 H VAL 4 -7.531 -1.042 -0.170
31 HA VAL 4 HA VAL 4 -7.161 -3.793 -0.985
32 HB VAL 4 HB VAL 4 -6.651 -3.292 -3.262
33 HG11 VAL 4 1HG1 VAL 4 -9.044 -3.694 -2.612
34 HG12 VAL 4 2HG1 VAL 4 -9.289 -1.931 -2.635
35 HG13 VAL 4 3HG1 VAL 4 -8.834 -2.786 -4.129
36 HG21 VAL 4 3HG2 VAL 4 -7.477 -0.410 -2.864
37 HG22 VAL 4 1HG2 VAL 4 -5.784 -0.943 -2.721
38 HG23 VAL 4 2HG2 VAL 4 -6.656 -1.152 -4.259
39 H TYR 5 H TYR 5 -4.902 -4.317 -1.293
40 HA TYR 5 HA TYR 5 -3.185 -2.383 0.071
41 HD1 TYR 5 HD2 TYR 5 -4.366 -3.621 2.037
42 HD2 TYR 5 HD1 TYR 5 -3.679 -7.109 -0.343
43 HE1 TYR 5 HE2 TYR 5 -6.201 -4.851 3.296
44 HE2 TYR 5 HE1 TYR 5 -5.517 -8.326 0.923
45 HH TYR 5 HH TYR 5 -7.789 -7.137 2.382
46 HB2 TYR 5 1HB TYR 5 -2.433 -5.208 -0.773
47 HB3 TYR 5 2HB TYR 5 -1.983 -4.367 0.696
48 H ALA 6 H ALA 6 -1.101 -1.811 -0.762
49 HA ALA 6 HA ALA 6 -0.458 -2.682 -3.445
50 HB1 ALA 6 3HB ALA 6 -1.448 0.069 -2.736
51 HB2 ALA 6 1HB ALA 6 -0.168 -0.095 -3.962
52 HB3 ALA 6 2HB ALA 6 -1.737 -0.901 -4.200
53 H TYR 7 H TYR 7 1.762 -1.919 -4.071
54 HA TYR 7 HA TYR 7 3.365 -1.533 -1.636
55 HD1 TYR 7 HD2 TYR 7 3.357 -3.953 -1.011
56 HD2 TYR 7 HD1 TYR 7 3.240 -4.497 -5.253
57 HE1 TYR 7 HE2 TYR 7 2.199 -6.194 -0.698
58 HE2 TYR 7 HE1 TYR 7 2.082 -6.737 -4.926
59 HH TYR 7 HH TYR 7 0.741 -7.655 -1.961
60 HB2 TYR 7 1HB TYR 7 4.191 -2.567 -4.409
61 HB3 TYR 7 2HB TYR 7 5.059 -2.801 -2.905
62 H VAL 8 H VAL 8 5.078 -0.012 -1.639
63 HA VAL 8 HA VAL 8 5.200 1.713 -4.004
64 HB VAL 8 HB VAL 8 3.775 2.926 -2.608
65 HG11 VAL 8 1HG1 VAL 8 3.552 2.273 -0.481
66 HG12 VAL 8 2HG1 VAL 8 5.173 1.538 -0.463
67 HG13 VAL 8 3HG1 VAL 8 4.979 3.271 -0.110
68 HG21 VAL 8 3HG2 VAL 8 6.045 4.024 -3.378
69 HG22 VAL 8 1HG2 VAL 8 4.928 4.903 -2.307
70 HG23 VAL 8 2HG2 VAL 8 6.361 4.095 -1.628
71 H ARG 9 H ARG 9 7.263 2.598 -4.428
72 HA ARG 9 HA ARG 9 9.345 1.150 -3.086
73 HE ARG 9 HE ARG 9 12.320 1.362 -4.967
74 HB2 ARG 9 1HB ARG 9 9.067 2.699 -5.647
75 HB3 ARG 9 2HB ARG 9 10.668 2.667 -4.938
76 HG2 ARG 9 1HG ARG 9 10.175 0.047 -4.713
77 HG3 ARG 9 2HG ARG 9 9.009 0.365 -5.981
78 HD2 ARG 9 1HD ARG 9 11.155 -0.288 -6.993
79 HD3 ARG 9 2HD ARG 9 10.814 1.385 -7.388
80 HH11 ARG 9 1HH1 ARG 9 12.766 0.583 -8.395
81 HH12 ARG 9 2HH1 ARG 9 14.465 0.919 -8.378
82 HH21 ARG 9 1HH2 ARG 9 14.499 1.792 -4.950
83 HH22 ARG 9 2HH2 ARG 9 15.499 1.637 -6.339
84 H ILE 10 H ILE 10 10.229 2.047 -1.248
85 HA ILE 10 HA ILE 10 10.869 4.890 -1.333
86 HB ILE 10 HB ILE 10 9.053 3.535 0.612
87 HG12 ILE 10 1HG1 ILE 10 8.720 5.423 -1.393
88 HG13 ILE 10 2HG1 ILE 10 7.572 5.021 -0.131
89 HG21 ILE 10 1HG2 ILE 10 9.475 5.284 2.279
90 HG22 ILE 10 2HG2 ILE 10 10.911 4.269 2.008
91 HG23 ILE 10 3HG2 ILE 10 10.825 5.898 1.295
92 HD11 ILE 10 3HD1 ILE 10 9.753 7.144 0.122
93 HD12 ILE 10 1HD1 ILE 10 8.039 7.472 -0.230
94 HD13 ILE 10 2HD1 ILE 10 8.508 6.772 1.338
95 H ARG 11 H ARG 11 12.862 5.353 -0.460
96 HA ARG 11 HA ARG 11 14.824 5.032 0.384
97 HE ARG 11 HE ARG 11 11.091 5.128 4.496
98 HB2 ARG 11 1HB ARG 11 13.364 2.938 2.058
99 HB3 ARG 11 2HB ARG 11 15.067 3.280 2.292
100 HG2 ARG 11 1HG ARG 11 14.663 5.488 3.047
101 HG3 ARG 11 2HG ARG 11 13.095 5.578 2.269
102 HD2 ARG 11 1HD ARG 11 12.657 3.481 3.995
103 HD3 ARG 11 2HD ARG 11 13.835 4.395 4.915
104 HH11 ARG 11 1HH1 ARG 11 14.312 6.597 4.645
105 HH12 ARG 11 2HH1 ARG 11 13.719 8.142 5.159
106 HH21 ARG 11 1HH2 ARG 11 10.336 7.111 5.156
107 HH22 ARG 11 2HH2 ARG 11 11.363 8.453 5.464
108 H GLY 12 H GLY 12 14.104 3.662 -2.070
109 HA3 GLY 12 2HA GLY 12 16.308 1.953 -2.392
110 H VAL 13 H VAL 13 13.184 1.407 -0.967
111 HA VAL 13 HA VAL 13 13.479 -1.480 -1.423
112 HB VAL 13 HB VAL 13 12.462 -0.357 1.162
113 HG11 VAL 13 1HG1 VAL 13 12.177 -2.578 1.406
114 HG12 VAL 13 2HG1 VAL 13 13.296 -2.968 0.077
115 HG13 VAL 13 3HG1 VAL 13 13.932 -2.611 1.701
116 HG21 VAL 13 3HG2 VAL 13 14.436 0.691 1.479
117 HG22 VAL 13 1HG2 VAL 13 15.059 -0.950 1.773
118 HG23 VAL 13 2HG2 VAL 13 15.240 -0.205 0.167
119 H LEU 14 H LEU 14 11.387 -2.689 -1.056
120 HA LEU 14 HA LEU 14 9.176 -0.992 -1.971
121 HG LEU 14 HG LEU 14 7.475 -3.611 -3.602
122 HB2 LEU 14 1HB LEU 14 10.221 -3.006 -3.315
123 HB3 LEU 14 2HB LEU 14 9.202 -3.965 -2.260
124 HD11 LEU 14 1HD1 LEU 14 7.838 -0.617 -3.364
125 HD12 LEU 14 2HD1 LEU 14 6.342 -1.523 -3.696
126 HD13 LEU 14 3HD1 LEU 14 7.109 -1.628 -2.093
127 HD21 LEU 14 3HD2 LEU 14 7.740 -2.752 -5.759
128 HD22 LEU 14 1HD2 LEU 14 8.958 -1.562 -5.241
129 HD23 LEU 14 2HD2 LEU 14 9.373 -3.292 -5.302
130 H VAL 15 H VAL 15 7.699 -0.497 -0.451
131 HA VAL 15 HA VAL 15 7.330 -2.457 1.709
132 HB VAL 15 HB VAL 15 6.579 0.410 2.024
133 HG11 VAL 15 1HG1 VAL 15 7.448 -0.081 4.352
134 HG12 VAL 15 2HG1 VAL 15 6.036 -1.037 3.842
135 HG13 VAL 15 3HG1 VAL 15 7.658 -1.770 3.833
136 HG21 VAL 15 3HG2 VAL 15 9.427 -0.619 1.980
137 HG22 VAL 15 1HG2 VAL 15 8.734 0.764 1.099
138 HG23 VAL 15 2HG2 VAL 15 8.946 0.848 2.865
139 H ARG 16 H ARG 16 5.203 -3.023 2.293
140 HA ARG 16 HA ARG 16 3.304 -2.382 0.218
141 HE ARG 16 HE ARG 16 4.151 -7.467 2.975
142 HB2 ARG 16 1HB ARG 16 2.679 -4.296 2.472
143 HB3 ARG 16 2HB ARG 16 2.199 -4.385 0.789
144 HG2 ARG 16 1HG ARG 16 4.680 -4.786 0.223
145 HG3 ARG 16 2HG ARG 16 4.964 -4.958 1.944
146 HD2 ARG 16 1HD ARG 16 2.689 -6.597 1.317
147 HD3 ARG 16 2HD ARG 16 3.893 -6.913 0.083
148 HH11 ARG 16 1HH1 ARG 16 5.792 -7.276 -0.159
149 HH12 ARG 16 2HH1 ARG 16 7.128 -8.259 0.340
150 HH21 ARG 16 1HH2 ARG 16 5.866 -8.727 3.612
151 HH22 ARG 16 2HH2 ARG 16 7.178 -9.122 2.575
152 H TYR 17 H TYR 17 1.080 -1.689 0.772
153 HA TYR 17 HA TYR 17 0.641 -0.817 3.502
154 HD1 TYR 17 HD1 TYR 17 2.554 0.606 -0.016
155 HD2 TYR 17 HD2 TYR 17 -1.443 1.811 0.920
156 HE1 TYR 17 HE1 TYR 17 2.138 1.154 -2.463
157 HE2 TYR 17 HE2 TYR 17 -1.846 2.354 -1.531
158 HH TYR 17 HH TYR 17 -1.070 2.122 -3.574
159 HB2 TYR 17 1HB TYR 17 0.227 1.522 2.682
160 HB3 TYR 17 2HB TYR 17 1.870 1.046 2.301
161 H ARG 18 H ARG 18 -1.620 -0.165 3.882
162 HA ARG 18 HA ARG 18 -3.326 -1.340 1.838
163 HE ARG 18 HE ARG 18 -4.343 -2.243 6.297
164 HB2 ARG 18 1HB ARG 18 -3.928 -1.018 4.820
165 HB3 ARG 18 2HB ARG 18 -4.904 -1.893 3.657
166 HG2 ARG 18 1HG ARG 18 -2.780 -3.341 3.222
167 HG3 ARG 18 2HG ARG 18 -2.131 -2.618 4.681
168 HD2 ARG 18 1HD ARG 18 -4.511 -4.466 4.382
169 HD3 ARG 18 2HD ARG 18 -3.160 -4.588 5.492
170 HH11 ARG 18 1HH1 ARG 18 -5.651 -5.481 5.700
171 HH12 ARG 18 2HH1 ARG 18 -6.928 -5.314 6.859
172 HH21 ARG 18 1HH2 ARG 18 -5.981 -2.034 7.783
173 HH22 ARG 18 2HH2 ARG 18 -7.129 -3.273 8.098
174 H ARG 19 H ARG 19 -5.061 -0.106 1.033
175 HA ARG 19 HA ARG 19 -5.400 2.488 2.310
176 HE ARG 19 HE ARG 19 -5.577 5.180 0.388
177 HB2 ARG 19 1HB ARG 19 -5.228 1.771 -0.645
178 HB3 ARG 19 2HB ARG 19 -6.032 3.241 -0.130
179 HG2 ARG 19 1HG ARG 19 -3.740 3.513 1.302
180 HG3 ARG 19 2HG ARG 19 -3.115 2.522 -0.001
181 HD2 ARG 19 1HD ARG 19 -2.836 4.848 -0.653
182 HD3 ARG 19 2HD ARG 19 -4.096 4.167 -1.664
183 HH11 ARG 19 1HH1 ARG 19 -2.949 6.621 -1.500
184 HH12 ARG 19 2HH1 ARG 19 -3.541 8.239 -1.321
185 HH21 ARG 19 1HH2 ARG 19 -6.333 7.256 0.616
186 HH22 ARG 19 2HH2 ARG 19 -5.547 8.623 -0.068
187 H CYS 20 H CYS 20 -7.622 3.491 1.821
188 HA CYS 20 HA CYS 20 -9.602 1.413 1.266
189 HB2 CYS 20 1HB CYS 20 -9.529 3.300 3.614
190 HB3 CYS 20 2HB CYS 20 -11.031 2.603 3.039
191 H TRP 21 H TRP 21 -11.714 2.384 0.522
192 HA TRP 21 HA TRP 21 -11.237 4.453 -1.338
193 HD1 TRP 21 1HD TRP 21 -15.842 4.184 -2.028
194 HE1 TRP 21 HE1 TRP 21 -17.647 4.520 -0.133
195 HE3 TRP 21 HE3 TRP 21 -12.689 3.291 1.861
196 HZ2 TRP 21 HZ2 TRP 21 -17.556 4.378 2.716
197 HZ3 TRP 21 HZ3 TRP 21 -13.628 3.410 4.167
198 HH2 TRP 21 2HH TRP 21 -15.971 3.931 4.626
199 HB2 TRP 21 1HB TRP 21 -13.229 3.885 -2.201
200 HB3 TRP 21 2HB TRP 21 -12.979 2.446 -1.232
Start of MODEL 16
1 HA ARG 1 HA ARG 1 -15.652 1.880 1.059
2 HE ARG 1 HE ARG 1 -19.458 -3.081 0.699
3 H1 ARG 1 1H ARG 1 -16.957 2.409 -0.765
4 H2 ARG 1 2H ARG 1 -15.531 1.716 -1.237
5 H3 ARG 1 3H ARG 1 -16.935 0.844 -1.308
6 HB2 ARG 1 1HB ARG 1 -17.354 0.545 2.321
7 HB3 ARG 1 2HB ARG 1 -18.104 1.779 1.330
8 HG2 ARG 1 1HG ARG 1 -19.149 0.246 -0.015
9 HG3 ARG 1 2HG ARG 1 -17.732 -0.780 -0.111
10 HD2 ARG 1 1HD ARG 1 -18.216 -1.704 2.148
11 HD3 ARG 1 2HD ARG 1 -19.595 -0.635 2.309
12 HH11 ARG 1 1HH1 ARG 1 -21.168 -0.012 1.161
13 HH12 ARG 1 2HH1 ARG 1 -22.614 -0.559 0.380
14 HH21 ARG 1 1HH2 ARG 1 -21.316 -3.778 -0.301
15 HH22 ARG 1 2HH2 ARG 1 -22.709 -2.790 -0.489
16 H TRP 2 H TRP 2 -13.795 0.720 -0.298
17 HA TRP 2 HA TRP 2 -13.576 -1.952 0.811
18 HD1 TRP 2 HD1 TRP 2 -11.274 -3.244 -2.706
19 HE1 TRP 2 HE1 TRP 2 -10.217 -1.838 -4.674
20 HE3 TRP 2 HE3 TRP 2 -14.449 0.706 -2.291
21 HZ2 TRP 2 HZ2 TRP 2 -10.814 0.711 -5.810
22 HZ3 TRP 2 HZ3 TRP 2 -14.144 2.612 -3.868
23 HH2 TRP 2 HH2 TRP 2 -12.402 2.657 -5.583
24 HB2 TRP 2 1HB TRP 2 -13.358 -3.124 -1.119
25 HB3 TRP 2 2HB TRP 2 -14.584 -1.968 -1.600
26 H CYS 3 H CYS 3 -11.257 -2.675 0.740
27 HA CYS 3 HA CYS 3 -9.454 -0.403 0.346
28 HB2 CYS 3 1HB CYS 3 -9.088 -2.384 2.583
29 HB3 CYS 3 2HB CYS 3 -8.284 -0.847 2.340
30 H VAL 4 H VAL 4 -7.282 -1.042 -0.341
31 HA VAL 4 HA VAL 4 -6.934 -3.870 -0.942
32 HB VAL 4 HB VAL 4 -6.398 -3.464 -3.239
33 HG11 VAL 4 1HG1 VAL 4 -8.773 -3.867 -2.648
34 HG12 VAL 4 2HG1 VAL 4 -9.039 -2.108 -2.599
35 HG13 VAL 4 3HG1 VAL 4 -8.588 -2.898 -4.129
36 HG21 VAL 4 3HG2 VAL 4 -5.532 -1.088 -2.767
37 HG22 VAL 4 1HG2 VAL 4 -6.367 -1.370 -4.313
38 HG23 VAL 4 2HG2 VAL 4 -7.221 -0.568 -2.973
39 H TYR 5 H TYR 5 -4.669 -4.434 -1.322
40 HA TYR 5 HA TYR 5 -2.922 -2.573 0.087
41 HD1 TYR 5 HD2 TYR 5 -4.569 -3.794 1.411
42 HD2 TYR 5 HD1 TYR 5 -2.901 -7.430 -0.106
43 HE1 TYR 5 HE2 TYR 5 -6.377 -5.128 2.600
44 HE2 TYR 5 HE1 TYR 5 -4.716 -8.752 1.088
45 HH TYR 5 HH TYR 5 -7.428 -7.168 2.556
46 HB2 TYR 5 1HB TYR 5 -2.169 -5.323 -0.972
47 HB3 TYR 5 2HB TYR 5 -1.705 -4.590 0.550
48 H ALA 6 H ALA 6 -0.885 -1.890 -0.747
49 HA ALA 6 HA ALA 6 -0.260 -2.585 -3.486
50 HB1 ALA 6 3HB ALA 6 -0.026 0.107 -3.719
51 HB2 ALA 6 1HB ALA 6 -1.478 -0.794 -4.218
52 HB3 ALA 6 2HB ALA 6 -1.434 0.019 -2.635
53 H TYR 7 H TYR 7 1.921 -1.636 -4.104
54 HA TYR 7 HA TYR 7 3.593 -1.614 -1.702
55 HD1 TYR 7 HD2 TYR 7 5.234 -3.559 -1.503
56 HD2 TYR 7 HD1 TYR 7 3.132 -4.220 -5.171
57 HE1 TYR 7 HE2 TYR 7 5.063 -6.038 -0.967
58 HE2 TYR 7 HE1 TYR 7 2.969 -6.697 -4.622
59 HH TYR 7 HH TYR 7 3.451 -8.264 -3.224
60 HB2 TYR 7 1HB TYR 7 3.953 -2.096 -4.717
61 HB3 TYR 7 2HB TYR 7 5.340 -1.957 -3.656
62 H VAL 8 H VAL 8 5.164 0.007 -1.330
63 HA VAL 8 HA VAL 8 4.937 2.342 -3.096
64 HB VAL 8 HB VAL 8 3.650 2.872 -1.190
65 HG11 VAL 8 1HG1 VAL 8 3.911 1.693 0.687
66 HG12 VAL 8 2HG1 VAL 8 5.535 1.157 0.194
67 HG13 VAL 8 3HG1 VAL 8 5.331 2.702 1.054
68 HG21 VAL 8 3HG2 VAL 8 4.961 4.742 -1.782
69 HG22 VAL 8 1HG2 VAL 8 5.125 4.611 -0.014
70 HG23 VAL 8 2HG2 VAL 8 6.437 4.042 -1.074
71 H ARG 9 H ARG 9 6.857 2.622 -4.100
72 HA ARG 9 HA ARG 9 9.158 1.356 -3.152
73 HE ARG 9 HE ARG 9 10.503 2.781 -7.646
74 HB2 ARG 9 1HB ARG 9 8.433 2.226 -5.579
75 HB3 ARG 9 2HB ARG 9 9.277 3.682 -5.091
76 HG2 ARG 9 1HG ARG 9 10.954 1.465 -4.365
77 HG3 ARG 9 2HG ARG 9 10.392 1.163 -5.997
78 HD2 ARG 9 1HD ARG 9 11.496 3.886 -5.196
79 HD3 ARG 9 2HD ARG 9 12.563 2.588 -5.693
80 HH11 ARG 9 1HH1 ARG 9 13.216 4.722 -6.452
81 HH12 ARG 9 2HH1 ARG 9 13.458 5.538 -7.960
82 HH21 ARG 9 1HH2 ARG 9 10.817 3.830 -9.579
83 HH22 ARG 9 2HH2 ARG 9 12.040 5.013 -9.819
84 H ILE 10 H ILE 10 9.827 2.068 -1.089
85 HA ILE 10 HA ILE 10 10.618 4.891 -0.972
86 HB ILE 10 HB ILE 10 9.081 3.262 1.024
87 HG12 ILE 10 1HG1 ILE 10 8.331 5.178 -0.809
88 HG13 ILE 10 2HG1 ILE 10 7.414 4.683 0.600
89 HG21 ILE 10 1HG2 ILE 10 10.732 5.729 1.642
90 HG22 ILE 10 2HG2 ILE 10 9.570 4.944 2.739
91 HG23 ILE 10 3HG2 ILE 10 11.039 4.077 2.230
92 HD11 ILE 10 3HD1 ILE 10 7.721 7.164 0.484
93 HD12 ILE 10 1HD1 ILE 10 8.439 6.467 1.956
94 HD13 ILE 10 2HD1 ILE 10 9.482 6.930 0.590
95 H ARG 11 H ARG 11 12.727 5.217 -0.439
96 HA ARG 11 HA ARG 11 14.770 4.819 0.137
97 HE ARG 11 HE ARG 11 15.402 5.390 4.926
98 HB2 ARG 11 1HB ARG 11 13.303 2.964 1.992
99 HB3 ARG 11 2HB ARG 11 15.027 2.696 1.839
100 HG2 ARG 11 1HG ARG 11 15.576 4.682 2.881
101 HG3 ARG 11 2HG ARG 11 14.230 5.553 2.173
102 HD2 ARG 11 1HD ARG 11 12.730 4.899 3.856
103 HD3 ARG 11 2HD ARG 11 13.591 3.412 4.200
104 HH11 ARG 11 1HH1 ARG 11 12.051 4.666 5.823
105 HH12 ARG 11 2HH1 ARG 11 12.199 5.344 7.410
106 HH21 ARG 11 1HH2 ARG 11 15.586 6.260 6.961
107 HH22 ARG 11 2HH2 ARG 11 14.292 6.292 8.091
108 H GLY 12 H GLY 12 13.637 3.529 -2.238
109 HA3 GLY 12 2HA GLY 12 15.758 1.777 -2.898
110 H VAL 13 H VAL 13 12.761 1.301 -1.190
111 HA VAL 13 HA VAL 13 12.919 -1.579 -1.760
112 HB VAL 13 HB VAL 13 11.987 -0.563 0.884
113 HG11 VAL 13 1HG1 VAL 13 11.850 -2.803 1.058
114 HG12 VAL 13 2HG1 VAL 13 12.942 -3.076 -0.321
115 HG13 VAL 13 3HG1 VAL 13 13.614 -2.739 1.292
116 HG21 VAL 13 3HG2 VAL 13 13.914 0.656 1.047
117 HG22 VAL 13 1HG2 VAL 13 14.558 -0.935 1.517
118 HG23 VAL 13 2HG2 VAL 13 14.781 -0.340 -0.146
119 H LEU 14 H LEU 14 10.818 -2.741 -1.369
120 HA LEU 14 HA LEU 14 8.620 -0.969 -2.157
121 HG LEU 14 HG LEU 14 9.348 -3.009 -4.944
122 HB2 LEU 14 1HB LEU 14 9.415 -3.746 -2.853
123 HB3 LEU 14 2HB LEU 14 7.698 -3.413 -2.737
124 HD11 LEU 14 1HD1 LEU 14 6.812 -1.495 -4.921
125 HD12 LEU 14 2HD1 LEU 14 7.385 -2.778 -6.016
126 HD13 LEU 14 3HD1 LEU 14 6.689 -3.203 -4.433
127 HD21 LEU 14 3HD2 LEU 14 8.464 -0.267 -4.059
128 HD22 LEU 14 1HD2 LEU 14 10.084 -0.897 -3.676
129 HD23 LEU 14 2HD2 LEU 14 9.574 -0.725 -5.372
130 H VAL 15 H VAL 15 7.665 -0.276 -0.281
131 HA VAL 15 HA VAL 15 7.296 -2.202 1.859
132 HB VAL 15 HB VAL 15 6.251 0.585 1.962
133 HG11 VAL 15 1HG1 VAL 15 5.932 -0.500 3.980
134 HG12 VAL 15 2HG1 VAL 15 7.447 -1.425 3.849
135 HG13 VAL 15 3HG1 VAL 15 7.494 0.306 4.260
136 HG21 VAL 15 3HG2 VAL 15 9.152 -0.148 1.664
137 HG22 VAL 15 1HG2 VAL 15 8.252 1.233 0.991
138 HG23 VAL 15 2HG2 VAL 15 8.686 1.210 2.717
139 H ARG 16 H ARG 16 5.276 -2.946 2.587
140 HA ARG 16 HA ARG 16 3.237 -2.715 0.566
141 HE ARG 16 HE ARG 16 6.166 -7.030 2.000
142 HB2 ARG 16 1HB ARG 16 2.909 -4.424 3.038
143 HB3 ARG 16 2HB ARG 16 2.370 -4.743 1.401
144 HG2 ARG 16 1HG ARG 16 4.970 -4.807 0.850
145 HG3 ARG 16 2HG ARG 16 5.145 -5.065 2.575
146 HD2 ARG 16 1HD ARG 16 3.302 -6.936 2.229
147 HD3 ARG 16 2HD ARG 16 3.747 -6.829 0.538
148 HH11 ARG 16 1HH1 ARG 16 3.304 -9.024 1.380
149 HH12 ARG 16 2HH1 ARG 16 4.153 -10.521 1.566
150 HH21 ARG 16 1HH2 ARG 16 7.252 -8.954 2.239
151 HH22 ARG 16 2HH2 ARG 16 6.495 -10.487 2.076
152 H TYR 17 H TYR 17 1.136 -1.859 0.976
153 HA TYR 17 HA TYR 17 0.508 -1.002 3.674
154 HD1 TYR 17 HD2 TYR 17 -1.488 1.733 1.308
155 HD2 TYR 17 HD1 TYR 17 2.423 0.502 0.083
156 HE1 TYR 17 HE2 TYR 17 -2.018 2.405 -1.086
157 HE2 TYR 17 HE1 TYR 17 1.879 1.178 -2.307
158 HH TYR 17 HH TYR 17 -1.339 2.435 -3.137
159 HB2 TYR 17 1HB TYR 17 0.299 1.345 2.953
160 HB3 TYR 17 2HB TYR 17 1.889 0.810 2.445
161 H ARG 18 H ARG 18 -1.766 -0.286 3.876
162 HA ARG 18 HA ARG 18 -3.336 -1.280 1.633
163 HE ARG 18 HE ARG 18 -5.791 -4.262 4.535
164 HB2 ARG 18 1HB ARG 18 -4.160 -1.429 4.572
165 HB3 ARG 18 2HB ARG 18 -4.966 -2.191 3.215
166 HG2 ARG 18 1HG ARG 18 -3.032 -3.667 2.826
167 HG3 ARG 18 2HG ARG 18 -2.101 -2.834 4.055
168 HD2 ARG 18 1HD ARG 18 -3.573 -5.109 4.526
169 HD3 ARG 18 2HD ARG 18 -3.124 -3.961 5.772
170 HH11 ARG 18 1HH1 ARG 18 -3.698 -2.298 6.613
171 HH12 ARG 18 2HH1 ARG 18 -5.017 -1.469 7.369
172 HH21 ARG 18 1HH2 ARG 18 -7.481 -3.195 5.508
173 HH22 ARG 18 2HH2 ARG 18 -7.263 -1.996 6.718
174 H ARG 19 H ARG 19 -4.922 0.130 0.871
175 HA ARG 19 HA ARG 19 -5.477 2.415 2.586
176 HE ARG 19 HE ARG 19 -5.504 5.430 1.234
177 HB2 ARG 19 1HB ARG 19 -4.945 2.299 -0.410
178 HB3 ARG 19 2HB ARG 19 -5.841 3.635 0.284
179 HG2 ARG 19 1HG ARG 19 -3.737 3.619 2.004
180 HG3 ARG 19 2HG ARG 19 -2.941 2.915 0.611
181 HD2 ARG 19 1HD ARG 19 -2.653 5.326 0.477
182 HD3 ARG 19 2HD ARG 19 -3.771 4.860 -0.790
183 HH11 ARG 19 1HH1 ARG 19 -2.711 7.233 0.009
184 HH12 ARG 19 2HH1 ARG 19 -3.361 8.779 0.443
185 HH21 ARG 19 1HH2 ARG 19 -6.334 7.415 1.790
186 HH22 ARG 19 2HH2 ARG 19 -5.509 8.893 1.499
187 H CYS 20 H CYS 20 -7.653 3.486 2.057
188 HA CYS 20 HA CYS 20 -9.515 1.454 1.059
189 HB2 CYS 20 1HB CYS 20 -9.927 3.456 3.289
190 HB3 CYS 20 2HB CYS 20 -11.191 2.452 2.606
191 H TRP 21 H TRP 21 -11.483 2.401 -0.009
192 HA TRP 21 HA TRP 21 -10.752 4.476 -1.777
193 HD1 TRP 21 1HD TRP 21 -15.184 4.169 -3.172
194 HE1 TRP 21 HE1 TRP 21 -17.267 4.483 -1.583
195 HE3 TRP 21 HE3 TRP 21 -12.675 3.278 1.160
196 HZ2 TRP 21 HZ2 TRP 21 -17.624 4.328 1.244
197 HZ3 TRP 21 HZ3 TRP 21 -13.965 3.380 3.291
198 HH2 TRP 21 2HH TRP 21 -16.355 3.883 3.378
199 HB2 TRP 21 1HB TRP 21 -12.577 3.880 -2.936
200 HB3 TRP 21 2HB TRP 21 -12.466 2.447 -1.934
Start of MODEL 17
1 HA ARG 1 HA ARG 1 -15.804 1.887 1.593
2 HE ARG 1 HE ARG 1 -16.859 -0.699 5.664
3 H1 ARG 1 1H ARG 1 -17.251 2.372 -0.134
4 H2 ARG 1 2H ARG 1 -15.862 1.677 -0.702
5 H3 ARG 1 3H ARG 1 -17.261 0.797 -0.645
6 HB2 ARG 1 1HB ARG 1 -18.274 1.752 1.975
7 HB3 ARG 1 2HB ARG 1 -18.255 0.053 1.545
8 HG2 ARG 1 1HG ARG 1 -16.237 0.407 3.551
9 HG3 ARG 1 2HG ARG 1 -17.649 1.286 4.105
10 HD2 ARG 1 1HD ARG 1 -19.048 -0.678 3.999
11 HD3 ARG 1 2HD ARG 1 -17.873 -1.562 3.046
12 HH11 ARG 1 1HH1 ARG 1 -18.539 -3.273 3.900
13 HH12 ARG 1 2HH1 ARG 1 -18.141 -4.497 5.058
14 HH21 ARG 1 1HH2 ARG 1 -16.351 -2.273 7.148
15 HH22 ARG 1 2HH2 ARG 1 -16.844 -3.911 6.987
16 H TRP 2 H TRP 2 -14.024 0.723 0.175
17 HA TRP 2 HA TRP 2 -13.712 -1.928 1.297
18 HD1 TRP 2 HD1 TRP 2 -11.665 -3.281 -2.344
19 HE1 TRP 2 HE1 TRP 2 -10.774 -1.919 -4.422
20 HE3 TRP 2 HE3 TRP 2 -14.853 0.642 -1.803
21 HZ2 TRP 2 HZ2 TRP 2 -11.488 0.590 -5.579
22 HZ3 TRP 2 HZ3 TRP 2 -14.690 2.507 -3.449
23 HH2 TRP 2 HH2 TRP 2 -13.080 2.523 -5.288
24 HB2 TRP 2 1HB TRP 2 -13.635 -3.143 -0.616
25 HB3 TRP 2 2HB TRP 2 -14.902 -2.004 -1.029
26 H CYS 3 H CYS 3 -11.401 -2.637 1.070
27 HA CYS 3 HA CYS 3 -9.651 -0.364 0.488
28 HB2 CYS 3 1HB CYS 3 -9.122 -2.296 2.738
29 HB3 CYS 3 2HB CYS 3 -8.315 -0.780 2.392
30 H VAL 4 H VAL 4 -7.557 -0.992 -0.389
31 HA VAL 4 HA VAL 4 -7.292 -3.838 -1.011
32 HB VAL 4 HB VAL 4 -6.737 -3.327 -3.311
33 HG11 VAL 4 1HG1 VAL 4 -9.390 -2.003 -2.690
34 HG12 VAL 4 2HG1 VAL 4 -8.933 -2.929 -4.139
35 HG13 VAL 4 3HG1 VAL 4 -9.127 -3.759 -2.576
36 HG21 VAL 4 3HG2 VAL 4 -7.623 -0.468 -2.869
37 HG22 VAL 4 1HG2 VAL 4 -5.917 -0.964 -2.762
38 HG23 VAL 4 2HG2 VAL 4 -6.811 -1.176 -4.286
39 H TYR 5 H TYR 5 -5.046 -4.447 -1.556
40 HA TYR 5 HA TYR 5 -3.200 -2.771 -0.052
41 HD1 TYR 5 HD1 TYR 5 -4.782 -4.092 1.267
42 HD2 TYR 5 HD2 TYR 5 -3.367 -7.568 -0.786
43 HE1 TYR 5 HE1 TYR 5 -6.585 -5.494 2.385
44 HE2 TYR 5 HE2 TYR 5 -5.174 -8.959 0.338
45 HH TYR 5 HH TYR 5 -6.532 -8.495 2.798
46 HB2 TYR 5 1HB TYR 5 -2.558 -5.419 -1.404
47 HB3 TYR 5 2HB TYR 5 -2.022 -4.851 0.165
48 H ALA 6 H ALA 6 -1.153 -2.089 -0.887
49 HA ALA 6 HA ALA 6 -0.662 -2.502 -3.708
50 HB1 ALA 6 3HB ALA 6 -1.540 0.110 -2.494
51 HB2 ALA 6 1HB ALA 6 -0.350 0.123 -3.817
52 HB3 ALA 6 2HB ALA 6 -1.954 -0.604 -4.071
53 H TYR 7 H TYR 7 1.539 -1.664 -4.313
54 HA TYR 7 HA TYR 7 3.262 -1.646 -1.928
55 HD1 TYR 7 HD1 TYR 7 1.524 -3.906 -3.038
56 HD2 TYR 7 HD2 TYR 7 5.758 -4.513 -3.137
57 HE1 TYR 7 HE1 TYR 7 1.227 -6.202 -1.986
58 HE2 TYR 7 HE2 TYR 7 5.447 -6.806 -2.086
59 HH TYR 7 HH TYR 7 2.552 -8.370 -1.998
60 HB2 TYR 7 1HB TYR 7 3.448 -2.720 -4.797
61 HB3 TYR 7 2HB TYR 7 4.907 -2.482 -3.857
62 H VAL 8 H VAL 8 5.103 -0.241 -1.919
63 HA VAL 8 HA VAL 8 5.246 1.679 -4.103
64 HB VAL 8 HB VAL 8 3.909 3.007 -2.851
65 HG11 VAL 8 1HG1 VAL 8 3.507 1.294 -1.105
66 HG12 VAL 8 2HG1 VAL 8 5.003 1.804 -0.286
67 HG13 VAL 8 3HG1 VAL 8 3.638 2.937 -0.434
68 HG21 VAL 8 3HG2 VAL 8 5.209 4.617 -1.571
69 HG22 VAL 8 1HG2 VAL 8 6.541 3.449 -1.401
70 HG23 VAL 8 2HG2 VAL 8 6.127 4.101 -3.005
71 H ARG 9 H ARG 9 7.335 2.563 -4.383
72 HA ARG 9 HA ARG 9 9.331 1.071 -2.930
73 HE ARG 9 HE ARG 9 11.446 2.961 -7.830
74 HB2 ARG 9 1HB ARG 9 9.859 0.923 -5.205
75 HB3 ARG 9 2HB ARG 9 9.206 2.507 -5.573
76 HG2 ARG 9 1HG ARG 9 11.148 3.637 -4.762
77 HG3 ARG 9 2HG ARG 9 11.693 2.243 -3.849
78 HD2 ARG 9 1HD ARG 9 13.087 1.927 -5.652
79 HD3 ARG 9 2HD ARG 9 11.682 1.152 -6.358
80 HH11 ARG 9 1HH1 ARG 9 13.598 3.913 -5.181
81 HH12 ARG 9 2HH1 ARG 9 14.040 5.418 -5.916
82 HH21 ARG 9 1HH2 ARG 9 12.015 4.892 -8.769
83 HH22 ARG 9 2HH2 ARG 9 13.105 6.005 -8.043
84 H ILE 10 H ILE 10 10.200 2.044 -1.124
85 HA ILE 10 HA ILE 10 10.871 4.872 -1.321
86 HB ILE 10 HB ILE 10 8.941 3.646 0.588
87 HG12 ILE 10 1HG1 ILE 10 8.732 5.452 -1.472
88 HG13 ILE 10 2HG1 ILE 10 7.560 5.219 -0.190
89 HG21 ILE 10 1HG2 ILE 10 10.811 4.351 2.024
90 HG22 ILE 10 2HG2 ILE 10 10.725 5.984 1.321
91 HG23 ILE 10 3HG2 ILE 10 9.358 5.350 2.268
92 HD11 ILE 10 3HD1 ILE 10 9.869 7.217 -0.142
93 HD12 ILE 10 1HD1 ILE 10 8.150 7.607 -0.391
94 HD13 ILE 10 2HD1 ILE 10 8.700 6.971 1.178
95 H ARG 11 H ARG 11 12.786 5.405 -0.268
96 HA ARG 11 HA ARG 11 14.701 5.108 0.685
97 HE ARG 11 HE ARG 11 16.326 5.666 3.290
98 HB2 ARG 11 1HB ARG 11 13.020 3.172 2.282
99 HB3 ARG 11 2HB ARG 11 14.758 3.105 2.500
100 HG2 ARG 11 1HG ARG 11 14.220 5.856 2.578
101 HG3 ARG 11 2HG ARG 11 12.833 5.162 3.394
102 HD2 ARG 11 1HD ARG 11 14.195 5.159 5.239
103 HD3 ARG 11 2HD ARG 11 14.858 3.693 4.544
104 HH11 ARG 11 1HH1 ARG 11 15.622 4.979 6.694
105 HH12 ARG 11 2HH1 ARG 11 17.108 5.660 7.268
106 HH21 ARG 11 1HH2 ARG 11 18.231 6.538 4.030
107 HH22 ARG 11 2HH2 ARG 11 18.659 6.586 5.693
108 H GLY 12 H GLY 12 14.131 3.744 -1.821
109 HA3 GLY 12 2HA GLY 12 16.389 2.092 -2.048
110 H VAL 13 H VAL 13 13.179 1.458 -0.832
111 HA VAL 13 HA VAL 13 13.553 -1.414 -1.306
112 HB VAL 13 HB VAL 13 12.531 -0.311 1.297
113 HG11 VAL 13 1HG1 VAL 13 13.797 -2.632 1.877
114 HG12 VAL 13 2HG1 VAL 13 12.081 -2.532 1.412
115 HG13 VAL 13 3HG1 VAL 13 13.310 -2.957 0.196
116 HG21 VAL 13 3HG2 VAL 13 14.556 0.591 1.678
117 HG22 VAL 13 1HG2 VAL 13 15.107 -1.091 1.867
118 HG23 VAL 13 2HG2 VAL 13 15.301 -0.262 0.304
119 H LEU 14 H LEU 14 11.470 -2.656 -1.001
120 HA LEU 14 HA LEU 14 9.265 -0.975 -1.949
121 HG LEU 14 HG LEU 14 7.542 -3.583 -3.477
122 HB2 LEU 14 1HB LEU 14 10.334 -3.015 -3.232
123 HB3 LEU 14 2HB LEU 14 9.299 -3.954 -2.175
124 HD11 LEU 14 1HD1 LEU 14 8.106 -0.608 -3.485
125 HD12 LEU 14 2HD1 LEU 14 6.561 -1.426 -3.822
126 HD13 LEU 14 3HD1 LEU 14 7.251 -1.468 -2.182
127 HD21 LEU 14 3HD2 LEU 14 9.154 -3.733 -5.286
128 HD22 LEU 14 1HD2 LEU 14 7.853 -2.594 -5.710
129 HD23 LEU 14 2HD2 LEU 14 9.445 -1.978 -5.206
130 H VAL 15 H VAL 15 7.674 -0.510 -0.537
131 HA VAL 15 HA VAL 15 7.316 -2.385 1.698
132 HB VAL 15 HB VAL 15 6.475 0.467 1.884
133 HG11 VAL 15 1HG1 VAL 15 5.910 -0.752 3.788
134 HG12 VAL 15 2HG1 VAL 15 7.415 -1.702 3.753
135 HG13 VAL 15 3HG1 VAL 15 7.453 0.006 4.252
136 HG21 VAL 15 3HG2 VAL 15 8.768 1.073 2.718
137 HG22 VAL 15 1HG2 VAL 15 9.358 -0.466 2.045
138 HG23 VAL 15 2HG2 VAL 15 8.673 0.773 0.966
139 H ARG 16 H ARG 16 5.193 -2.998 2.240
140 HA ARG 16 HA ARG 16 3.318 -2.420 0.114
141 HE ARG 16 HE ARG 16 4.601 -6.933 2.772
142 HB2 ARG 16 1HB ARG 16 2.741 -4.429 2.296
143 HB3 ARG 16 2HB ARG 16 2.294 -4.486 0.603
144 HG2 ARG 16 1HG ARG 16 4.838 -4.719 0.107
145 HG3 ARG 16 2HG ARG 16 5.032 -5.026 1.821
146 HD2 ARG 16 1HD ARG 16 2.911 -6.607 0.380
147 HD3 ARG 16 2HD ARG 16 4.580 -7.016 0.039
148 HH11 ARG 16 1HH1 ARG 16 2.397 -8.522 0.498
149 HH12 ARG 16 2HH1 ARG 16 2.001 -9.809 1.588
150 HH21 ARG 16 1HH2 ARG 16 4.090 -8.585 4.167
151 HH22 ARG 16 2HH2 ARG 16 3.002 -9.852 3.765
152 H TYR 17 H TYR 17 1.093 -1.769 0.620
153 HA TYR 17 HA TYR 17 0.528 -1.059 3.373
154 HD1 TYR 17 HD2 TYR 17 2.209 0.100 -0.166
155 HD2 TYR 17 HD1 TYR 17 -1.300 2.207 1.080
156 HE1 TYR 17 HE2 TYR 17 1.773 0.808 -2.568
157 HE2 TYR 17 HE1 TYR 17 -1.725 2.908 -1.327
158 HH TYR 17 HH TYR 17 0.546 1.985 -3.900
159 HB2 TYR 17 1HB TYR 17 0.141 1.315 2.704
160 HB3 TYR 17 2HB TYR 17 1.784 0.876 2.282
161 H ARG 18 H ARG 18 -1.778 0.011 3.447
162 HA ARG 18 HA ARG 18 -3.375 -1.144 1.314
163 HE ARG 18 HE ARG 18 -5.937 -3.527 4.600
164 HB2 ARG 18 1HB ARG 18 -4.044 -1.301 4.297
165 HB3 ARG 18 2HB ARG 18 -5.037 -1.930 2.997
166 HG2 ARG 18 1HG ARG 18 -3.163 -3.469 2.332
167 HG3 ARG 18 2HG ARG 18 -2.203 -2.859 3.665
168 HD2 ARG 18 1HD ARG 18 -4.244 -4.917 3.709
169 HD3 ARG 18 2HD ARG 18 -3.161 -4.429 4.997
170 HH11 ARG 18 1HH1 ARG 18 -2.867 -2.918 6.261
171 HH12 ARG 18 2HH1 ARG 18 -3.594 -1.980 7.523
172 HH21 ARG 18 1HH2 ARG 18 -6.864 -2.323 6.221
173 HH22 ARG 18 2HH2 ARG 18 -5.963 -1.623 7.505
174 H ARG 19 H ARG 19 -5.107 0.175 0.642
175 HA ARG 19 HA ARG 19 -5.520 2.553 2.270
176 HE ARG 19 HE ARG 19 -5.663 5.489 0.777
177 HB2 ARG 19 1HB ARG 19 -5.247 2.275 -0.751
178 HB3 ARG 19 2HB ARG 19 -6.082 3.649 -0.054
179 HG2 ARG 19 1HG ARG 19 -3.837 3.719 1.476
180 HG3 ARG 19 2HG ARG 19 -3.164 2.940 0.058
181 HD2 ARG 19 1HD ARG 19 -2.894 5.341 -0.227
182 HD3 ARG 19 2HD ARG 19 -4.115 4.810 -1.367
183 HH11 ARG 19 1HH1 ARG 19 -3.018 7.221 -0.824
184 HH12 ARG 19 2HH1 ARG 19 -3.640 8.789 -0.429
185 HH21 ARG 19 1HH2 ARG 19 -6.457 7.502 1.281
186 HH22 ARG 19 2HH2 ARG 19 -5.679 8.962 0.819
187 H CYS 20 H CYS 20 -7.737 3.595 1.868
188 HA CYS 20 HA CYS 20 -9.669 1.521 1.119
189 HB2 CYS 20 1HB CYS 20 -9.896 3.585 3.319
190 HB3 CYS 20 2HB CYS 20 -11.207 2.556 2.780
191 H TRP 21 H TRP 21 -11.719 2.422 0.187
192 HA TRP 21 HA TRP 21 -11.157 4.460 -1.684
193 HD1 TRP 21 1HD TRP 21 -15.683 4.075 -2.709
194 HE1 TRP 21 HE1 TRP 21 -17.635 4.412 -0.966
195 HE3 TRP 21 HE3 TRP 21 -12.825 3.320 1.428
196 HZ2 TRP 21 HZ2 TRP 21 -17.762 4.327 1.884
197 HZ3 TRP 21 HZ3 TRP 21 -13.941 3.465 3.652
198 HH2 TRP 21 2HH TRP 21 -16.322 3.948 3.919
199 HB2 TRP 21 1HB TRP 21 -13.062 3.816 -2.677
200 HB3 TRP 21 2HB TRP 21 -12.856 2.410 -1.651
Start of MODEL 18
1 HA ARG 1 HA ARG 1 -15.870 1.737 1.344
2 HE ARG 1 HE ARG 1 -19.647 1.705 -1.164
3 H1 ARG 1 1H ARG 1 -17.070 2.315 -0.536
4 H2 ARG 1 2H ARG 1 -15.612 1.650 -0.945
5 H3 ARG 1 3H ARG 1 -17.001 0.770 -1.127
6 HB2 ARG 1 1HB ARG 1 -17.633 0.411 2.479
7 HB3 ARG 1 2HB ARG 1 -18.358 1.591 1.405
8 HG2 ARG 1 1HG ARG 1 -17.882 -0.794 -0.138
9 HG3 ARG 1 2HG ARG 1 -18.639 -1.287 1.364
10 HD2 ARG 1 1HD ARG 1 -20.530 -0.801 0.073
11 HD3 ARG 1 2HD ARG 1 -20.294 0.737 0.880
12 HH11 ARG 1 1HH1 ARG 1 -19.696 -1.822 -1.499
13 HH12 ARG 1 2HH1 ARG 1 -19.491 -1.786 -3.219
14 HH21 ARG 1 1HH2 ARG 1 -19.384 1.747 -3.370
15 HH22 ARG 1 2HH2 ARG 1 -19.306 0.327 -4.334
16 H TRP 2 H TRP 2 -13.968 0.610 -0.060
17 HA TRP 2 HA TRP 2 -13.720 -2.052 1.060
18 HD1 TRP 2 HD1 TRP 2 -11.411 -3.313 -2.467
19 HE1 TRP 2 HE1 TRP 2 -10.418 -1.902 -4.463
20 HE3 TRP 2 HE3 TRP 2 -14.697 0.546 -2.065
21 HZ2 TRP 2 HZ2 TRP 2 -11.103 0.613 -5.624
22 HZ3 TRP 2 HZ3 TRP 2 -14.466 2.440 -3.669
23 HH2 TRP 2 HH2 TRP 2 -12.745 2.514 -5.403
24 HB2 TRP 2 1HB TRP 2 -13.488 -3.237 -0.864
25 HB3 TRP 2 2HB TRP 2 -14.746 -2.112 -1.336
26 H CYS 3 H CYS 3 -11.397 -2.750 0.992
27 HA CYS 3 HA CYS 3 -9.613 -0.474 0.543
28 HB2 CYS 3 1HB CYS 3 -9.265 -2.387 2.845
29 HB3 CYS 3 2HB CYS 3 -8.422 -0.880 2.545
30 H VAL 4 H VAL 4 -7.482 -1.096 -0.209
31 HA VAL 4 HA VAL 4 -7.052 -3.939 -0.652
32 HB VAL 4 HB VAL 4 -6.619 -3.659 -2.996
33 HG11 VAL 4 1HG1 VAL 4 -9.298 -2.372 -2.380
34 HG12 VAL 4 2HG1 VAL 4 -8.859 -3.324 -3.818
35 HG13 VAL 4 3HG1 VAL 4 -8.959 -4.112 -2.225
36 HG21 VAL 4 3HG2 VAL 4 -6.130 -1.700 -3.942
37 HG22 VAL 4 1HG2 VAL 4 -7.718 -1.037 -3.486
38 HG23 VAL 4 2HG2 VAL 4 -6.346 -0.918 -2.357
39 H TYR 5 H TYR 5 -4.756 -4.370 -1.322
40 HA TYR 5 HA TYR 5 -3.035 -2.520 0.106
41 HD1 TYR 5 HD2 TYR 5 -4.506 -3.967 1.315
42 HD2 TYR 5 HD1 TYR 5 -2.572 -7.314 -0.518
43 HE1 TYR 5 HE2 TYR 5 -6.065 -5.553 2.549
44 HE2 TYR 5 HE1 TYR 5 -4.136 -8.888 0.722
45 HH TYR 5 HH TYR 5 -6.937 -7.809 2.252
46 HB2 TYR 5 1HB TYR 5 -2.208 -5.065 -1.354
47 HB3 TYR 5 2HB TYR 5 -1.606 -4.461 0.177
48 H ALA 6 H ALA 6 -0.907 -1.886 -0.813
49 HA ALA 6 HA ALA 6 -0.727 -1.983 -3.702
50 HB1 ALA 6 3HB ALA 6 -0.265 0.651 -3.438
51 HB2 ALA 6 1HB ALA 6 -1.888 0.002 -3.776
52 HB3 ALA 6 2HB ALA 6 -1.438 0.453 -2.114
53 H TYR 7 H TYR 7 1.438 -1.230 -4.450
54 HA TYR 7 HA TYR 7 3.401 -1.589 -2.290
55 HD1 TYR 7 HD2 TYR 7 5.147 -3.972 -2.694
56 HD2 TYR 7 HD1 TYR 7 1.676 -3.899 -5.195
57 HE1 TYR 7 HE2 TYR 7 4.657 -6.395 -2.098
58 HE2 TYR 7 HE1 TYR 7 1.199 -6.322 -4.591
59 HH TYR 7 HH TYR 7 3.467 -8.301 -3.152
60 HB2 TYR 7 1HB TYR 7 3.299 -2.125 -5.318
61 HB3 TYR 7 2HB TYR 7 4.808 -2.207 -4.431
62 H VAL 8 H VAL 8 5.094 -0.125 -2.044
63 HA VAL 8 HA VAL 8 5.260 2.032 -4.004
64 HB VAL 8 HB VAL 8 3.810 3.005 -2.450
65 HG11 VAL 8 1HG1 VAL 8 4.152 1.180 -0.715
66 HG12 VAL 8 2HG1 VAL 8 5.548 2.118 -0.132
67 HG13 VAL 8 3HG1 VAL 8 3.916 2.826 -0.080
68 HG21 VAL 8 3HG2 VAL 8 6.086 4.195 -2.979
69 HG22 VAL 8 1HG2 VAL 8 4.990 4.872 -1.751
70 HG23 VAL 8 2HG2 VAL 8 6.410 3.923 -1.250
71 H ARG 9 H ARG 9 7.355 2.641 -4.427
72 HA ARG 9 HA ARG 9 9.342 1.106 -3.026
73 HE ARG 9 HE ARG 9 12.412 1.063 -5.241
74 HB2 ARG 9 1HB ARG 9 9.186 2.593 -5.637
75 HB3 ARG 9 2HB ARG 9 10.773 2.474 -4.903
76 HG2 ARG 9 1HG ARG 9 10.266 -0.075 -4.648
77 HG3 ARG 9 2HG ARG 9 8.939 0.202 -5.760
78 HD2 ARG 9 1HD ARG 9 10.960 -0.532 -6.990
79 HD3 ARG 9 2HD ARG 9 10.516 1.096 -7.462
80 HH11 ARG 9 1HH1 ARG 9 12.133 0.906 -8.770
81 HH12 ARG 9 2HH1 ARG 9 13.744 1.478 -9.047
82 HH21 ARG 9 1HH2 ARG 9 14.478 1.796 -5.601
83 HH22 ARG 9 2HH2 ARG 9 15.140 2.007 -7.172
84 H ILE 10 H ILE 10 10.241 2.020 -1.203
85 HA ILE 10 HA ILE 10 11.051 4.813 -1.378
86 HB ILE 10 HB ILE 10 9.059 3.674 0.520
87 HG12 ILE 10 1HG1 ILE 10 8.940 5.503 -1.517
88 HG13 ILE 10 2HG1 ILE 10 7.770 5.344 -0.223
89 HG21 ILE 10 1HG2 ILE 10 10.977 5.894 1.282
90 HG22 ILE 10 2HG2 ILE 10 9.570 5.337 2.219
91 HG23 ILE 10 3HG2 ILE 10 10.958 4.252 1.969
92 HD11 ILE 10 3HD1 ILE 10 9.024 7.019 1.133
93 HD12 ILE 10 1HD1 ILE 10 10.208 7.183 -0.186
94 HD13 ILE 10 2HD1 ILE 10 8.521 7.690 -0.437
95 H ARG 11 H ARG 11 13.002 5.230 -0.350
96 HA ARG 11 HA ARG 11 14.905 4.826 0.589
97 HE ARG 11 HE ARG 11 14.190 6.422 4.943
98 HB2 ARG 11 1HB ARG 11 13.113 3.023 2.214
99 HB3 ARG 11 2HB ARG 11 14.842 2.815 2.410
100 HG2 ARG 11 1HG ARG 11 14.951 5.393 2.742
101 HG3 ARG 11 2HG ARG 11 13.207 5.336 2.902
102 HD2 ARG 11 1HD ARG 11 13.402 3.745 4.799
103 HD3 ARG 11 2HD ARG 11 15.143 3.696 4.609
104 HH11 ARG 11 1HH1 ARG 11 14.991 3.469 6.729
105 HH12 ARG 11 2HH1 ARG 11 15.332 4.307 8.207
106 HH21 ARG 11 1HH2 ARG 11 14.628 7.493 6.840
107 HH22 ARG 11 2HH2 ARG 11 15.118 6.693 8.279
108 H GLY 12 H GLY 12 14.275 3.507 -1.909
109 HA3 GLY 12 2HA GLY 12 16.417 1.711 -2.130
110 H VAL 13 H VAL 13 13.195 1.278 -0.880
111 HA VAL 13 HA VAL 13 13.388 -1.612 -1.355
112 HB VAL 13 HB VAL 13 12.385 -0.471 1.232
113 HG11 VAL 13 1HG1 VAL 13 13.416 -3.137 0.263
114 HG12 VAL 13 2HG1 VAL 13 13.373 -2.738 1.997
115 HG13 VAL 13 3HG1 VAL 13 11.867 -2.746 1.049
116 HG21 VAL 13 3HG2 VAL 13 14.415 0.396 1.655
117 HG22 VAL 13 1HG2 VAL 13 14.948 -1.294 1.827
118 HG23 VAL 13 2HG2 VAL 13 15.165 -0.445 0.277
119 H LEU 14 H LEU 14 11.213 -2.717 -0.976
120 HA LEU 14 HA LEU 14 9.118 -0.913 -1.958
121 HG LEU 14 HG LEU 14 7.259 -3.404 -3.524
122 HB2 LEU 14 1HB LEU 14 10.075 -2.994 -3.263
123 HB3 LEU 14 2HB LEU 14 8.986 -3.886 -2.219
124 HD11 LEU 14 1HD1 LEU 14 7.971 -0.462 -3.507
125 HD12 LEU 14 2HD1 LEU 14 6.384 -1.203 -3.821
126 HD13 LEU 14 3HD1 LEU 14 7.098 -1.286 -2.193
127 HD21 LEU 14 3HD2 LEU 14 9.069 -1.736 -5.282
128 HD22 LEU 14 1HD2 LEU 14 9.075 -3.516 -5.265
129 HD23 LEU 14 2HD2 LEU 14 7.605 -2.635 -5.747
130 H VAL 15 H VAL 15 7.575 -0.362 -0.523
131 HA VAL 15 HA VAL 15 7.149 -2.212 1.719
132 HB VAL 15 HB VAL 15 6.317 0.647 1.824
133 HG11 VAL 15 1HG1 VAL 15 6.533 0.397 4.126
134 HG12 VAL 15 2HG1 VAL 15 6.003 -1.224 3.617
135 HG13 VAL 15 3HG1 VAL 15 7.719 -0.921 3.979
136 HG21 VAL 15 3HG2 VAL 15 8.396 1.293 1.175
137 HG22 VAL 15 1HG2 VAL 15 8.799 0.886 2.860
138 HG23 VAL 15 2HG2 VAL 15 9.129 -0.283 1.560
139 H ARG 16 H ARG 16 5.021 -2.804 2.265
140 HA ARG 16 HA ARG 16 3.133 -2.173 0.152
141 HE ARG 16 HE ARG 16 5.888 -6.611 -0.056
142 HB2 ARG 16 1HB ARG 16 2.629 -4.356 2.181
143 HB3 ARG 16 2HB ARG 16 2.152 -4.290 0.496
144 HG2 ARG 16 1HG ARG 16 4.759 -4.368 0.023
145 HG3 ARG 16 2HG ARG 16 4.866 -4.972 1.664
146 HD2 ARG 16 1HD ARG 16 3.180 -6.772 1.062
147 HD3 ARG 16 2HD ARG 16 3.216 -6.203 -0.596
148 HH11 ARG 16 1HH1 ARG 16 3.023 -8.662 0.316
149 HH12 ARG 16 2HH1 ARG 16 3.897 -10.139 0.084
150 HH21 ARG 16 1HH2 ARG 16 7.005 -8.508 -0.353
151 HH22 ARG 16 2HH2 ARG 16 6.259 -10.055 -0.313
152 H TYR 17 H TYR 17 1.007 -1.402 0.682
153 HA TYR 17 HA TYR 17 0.415 -0.997 3.505
154 HD1 TYR 17 HD1 TYR 17 2.481 0.912 0.341
155 HD2 TYR 17 HD2 TYR 17 -1.589 1.935 1.172
156 HE1 TYR 17 HE1 TYR 17 2.205 1.776 -2.034
157 HE2 TYR 17 HE2 TYR 17 -1.851 2.796 -1.206
158 HH TYR 17 HH TYR 17 -0.056 3.775 -2.972
159 HB2 TYR 17 1HB TYR 17 -0.028 1.430 2.982
160 HB3 TYR 17 2HB TYR 17 1.647 1.034 2.649
161 H ARG 18 H ARG 18 -1.873 -0.379 3.869
162 HA ARG 18 HA ARG 18 -3.481 -1.308 1.627
163 HE ARG 18 HE ARG 18 -5.518 -3.466 5.759
164 HB2 ARG 18 1HB ARG 18 -4.252 -1.355 4.585
165 HB3 ARG 18 2HB ARG 18 -5.106 -2.137 3.269
166 HG2 ARG 18 1HG ARG 18 -3.497 -3.832 3.037
167 HG3 ARG 18 2HG ARG 18 -2.201 -2.844 3.683
168 HD2 ARG 18 1HD ARG 18 -2.821 -4.585 5.318
169 HD3 ARG 18 2HD ARG 18 -3.201 -3.002 5.966
170 HH11 ARG 18 1HH1 ARG 18 -3.601 -6.047 4.271
171 HH12 ARG 18 2HH1 ARG 18 -4.943 -7.133 4.132
172 HH21 ARG 18 1HH2 ARG 18 -7.237 -4.862 5.579
173 HH22 ARG 18 2HH2 ARG 18 -7.101 -6.437 4.906
174 H ARG 19 H ARG 19 -5.121 0.050 0.863
175 HA ARG 19 HA ARG 19 -5.586 2.434 2.468
176 HE ARG 19 HE ARG 19 -5.691 5.306 1.061
177 HB2 ARG 19 1HB ARG 19 -5.219 2.124 -0.539
178 HB3 ARG 19 2HB ARG 19 -6.081 3.504 0.113
179 HG2 ARG 19 1HG ARG 19 -3.870 3.562 1.719
180 HG3 ARG 19 2HG ARG 19 -3.167 2.822 0.295
181 HD2 ARG 19 1HD ARG 19 -2.928 5.248 0.102
182 HD3 ARG 19 2HD ARG 19 -4.075 4.710 -1.108
183 HH11 ARG 19 1HH1 ARG 19 -3.227 7.126 -0.719
184 HH12 ARG 19 2HH1 ARG 19 -3.958 8.665 -0.403
185 HH21 ARG 19 1HH2 ARG 19 -6.625 7.281 1.463
186 HH22 ARG 19 2HH2 ARG 19 -5.973 8.764 0.890
187 H CYS 20 H CYS 20 -7.785 3.489 1.979
188 HA CYS 20 HA CYS 20 -9.706 1.413 1.209
189 HB2 CYS 20 1HB CYS 20 -9.946 3.498 3.385
190 HB3 CYS 20 2HB CYS 20 -11.288 2.536 2.798
191 H TRP 21 H TRP 21 -11.723 2.309 0.201
192 HA TRP 21 HA TRP 21 -11.092 4.310 -1.689
193 HD1 TRP 21 1HD TRP 21 -15.594 3.895 -2.844
194 HE1 TRP 21 HE1 TRP 21 -17.594 4.273 -1.164
195 HE3 TRP 21 HE3 TRP 21 -12.847 3.265 1.389
196 HZ2 TRP 21 HZ2 TRP 21 -17.798 4.266 1.683
197 HZ3 TRP 21 HZ3 TRP 21 -14.023 3.467 3.577
198 HH2 TRP 21 2HH TRP 21 -16.412 3.949 3.766
199 HB2 TRP 21 1HB TRP 21 -12.970 3.661 -2.729
200 HB3 TRP 21 2HB TRP 21 -12.798 2.269 -1.678
Start of MODEL 19
1 HA ARG 1 HA ARG 1 -15.836 1.926 0.680
2 HE ARG 1 HE ARG 1 -20.044 2.176 1.661
3 H1 ARG 1 1H ARG 1 -17.777 2.105 -0.550
4 H2 ARG 1 2H ARG 1 -16.611 1.293 -1.397
5 H3 ARG 1 3H ARG 1 -17.880 0.462 -0.735
6 HB2 ARG 1 1HB ARG 1 -18.384 0.588 1.546
7 HB3 ARG 1 2HB ARG 1 -17.001 0.356 2.597
8 HG2 ARG 1 1HG ARG 1 -16.726 2.734 2.933
9 HG3 ARG 1 2HG ARG 1 -17.810 3.123 1.612
10 HD2 ARG 1 1HD ARG 1 -18.738 1.588 4.081
11 HD3 ARG 1 2HD ARG 1 -18.784 3.338 3.994
12 HH11 ARG 1 1HH1 ARG 1 -20.603 2.835 5.097
13 HH12 ARG 1 2HH1 ARG 1 -22.326 2.895 4.932
14 HH21 ARG 1 1HH2 ARG 1 -22.254 2.253 1.454
15 HH22 ARG 1 2HH2 ARG 1 -23.312 2.551 2.775
16 H TRP 2 H TRP 2 -14.031 0.771 -0.134
17 HA TRP 2 HA TRP 2 -13.830 -1.960 0.801
18 HD1 TRP 2 HD1 TRP 2 -11.355 -3.008 -2.610
19 HE1 TRP 2 HE1 TRP 2 -10.280 -1.532 -4.515
20 HE3 TRP 2 HE3 TRP 2 -14.754 0.764 -2.331
21 HZ2 TRP 2 HZ2 TRP 2 -10.956 0.991 -5.665
22 HZ3 TRP 2 HZ3 TRP 2 -14.474 2.696 -3.880
23 HH2 TRP 2 HH2 TRP 2 -12.655 2.848 -5.506
24 HB2 TRP 2 1HB TRP 2 -13.571 -3.030 -1.179
25 HB3 TRP 2 2HB TRP 2 -14.784 -1.849 -1.634
26 H CYS 3 H CYS 3 -11.495 -2.674 0.691
27 HA CYS 3 HA CYS 3 -9.688 -0.396 0.416
28 HB2 CYS 3 1HB CYS 3 -9.552 -2.358 2.710
29 HB3 CYS 3 2HB CYS 3 -8.520 -0.968 2.441
30 H VAL 4 H VAL 4 -7.445 -1.087 -0.078
31 HA VAL 4 HA VAL 4 -7.056 -3.899 -0.626
32 HB VAL 4 HB VAL 4 -6.464 -3.531 -2.959
33 HG11 VAL 4 1HG1 VAL 4 -8.710 -3.306 -3.867
34 HG12 VAL 4 2HG1 VAL 4 -8.760 -4.243 -2.354
35 HG13 VAL 4 3HG1 VAL 4 -9.272 -2.537 -2.363
36 HG21 VAL 4 3HG2 VAL 4 -5.929 -1.050 -2.596
37 HG22 VAL 4 1HG2 VAL 4 -6.744 -1.493 -4.116
38 HG23 VAL 4 2HG2 VAL 4 -7.676 -0.765 -2.785
39 H TYR 5 H TYR 5 -4.754 -4.371 -1.118
40 HA TYR 5 HA TYR 5 -3.070 -2.406 0.235
41 HD1 TYR 5 HD1 TYR 5 -4.515 -3.665 1.787
42 HD2 TYR 5 HD2 TYR 5 -2.979 -7.249 0.026
43 HE1 TYR 5 HE1 TYR 5 -6.249 -5.035 3.045
44 HE2 TYR 5 HE2 TYR 5 -4.718 -8.606 1.290
45 HH TYR 5 HH TYR 5 -7.183 -7.918 2.257
46 HB2 TYR 5 1HB TYR 5 -2.219 -5.155 -0.752
47 HB3 TYR 5 2HB TYR 5 -1.763 -4.356 0.740
48 H ALA 6 H ALA 6 -0.977 -1.803 -0.632
49 HA ALA 6 HA ALA 6 -0.469 -2.480 -3.399
50 HB1 ALA 6 3HB ALA 6 -1.811 -0.645 -3.923
51 HB2 ALA 6 1HB ALA 6 -1.365 0.236 -2.443
52 HB3 ALA 6 2HB ALA 6 -0.206 0.112 -3.787
53 H TYR 7 H TYR 7 1.726 -1.750 -4.068
54 HA TYR 7 HA TYR 7 3.437 -1.435 -1.695
55 HD1 TYR 7 HD2 TYR 7 3.402 -3.888 -1.075
56 HD2 TYR 7 HD1 TYR 7 3.059 -4.364 -5.313
57 HE1 TYR 7 HE2 TYR 7 2.183 -6.093 -0.736
58 HE2 TYR 7 HE1 TYR 7 1.841 -6.567 -4.960
59 HH TYR 7 HH TYR 7 0.328 -7.445 -2.708
60 HB2 TYR 7 1HB TYR 7 4.138 -2.492 -4.492
61 HB3 TYR 7 2HB TYR 7 5.041 -2.759 -3.014
62 H VAL 8 H VAL 8 4.963 0.201 -1.647
63 HA VAL 8 HA VAL 8 5.128 1.853 -4.070
64 HB VAL 8 HB VAL 8 3.766 3.126 -2.702
65 HG11 VAL 8 1HG1 VAL 8 5.478 2.500 -0.276
66 HG12 VAL 8 2HG1 VAL 8 3.912 3.345 -0.315
67 HG13 VAL 8 3HG1 VAL 8 3.998 1.611 -0.708
68 HG21 VAL 8 3HG2 VAL 8 6.614 3.949 -2.040
69 HG22 VAL 8 1HG2 VAL 8 5.654 4.453 -3.452
70 HG23 VAL 8 2HG2 VAL 8 5.176 4.975 -1.819
71 H ARG 9 H ARG 9 7.182 2.974 -4.353
72 HA ARG 9 HA ARG 9 9.298 1.379 -3.255
73 HE ARG 9 HE ARG 9 10.751 4.684 -6.998
74 HB2 ARG 9 1HB ARG 9 9.696 1.704 -5.539
75 HB3 ARG 9 2HB ARG 9 8.984 3.305 -5.548
76 HG2 ARG 9 1HG ARG 9 10.940 4.326 -4.656
77 HG3 ARG 9 2HG ARG 9 11.557 2.814 -4.020
78 HD2 ARG 9 1HD ARG 9 12.895 2.968 -5.910
79 HD3 ARG 9 2HD ARG 9 11.541 2.111 -6.620
80 HH11 ARG 9 1HH1 ARG 9 13.885 3.140 -7.584
81 HH12 ARG 9 2HH1 ARG 9 14.308 4.206 -8.882
82 HH21 ARG 9 1HH2 ARG 9 11.297 6.050 -8.664
83 HH22 ARG 9 2HH2 ARG 9 12.777 5.933 -9.528
84 H ILE 10 H ILE 10 10.051 2.014 -1.247
85 HA ILE 10 HA ILE 10 10.722 4.841 -0.944
86 HB ILE 10 HB ILE 10 8.918 3.213 0.803
87 HG12 ILE 10 1HG1 ILE 10 8.522 5.296 -0.987
88 HG13 ILE 10 2HG1 ILE 10 7.388 4.721 0.218
89 HG21 ILE 10 1HG2 ILE 10 10.717 3.837 2.300
90 HG22 ILE 10 2HG2 ILE 10 10.642 5.524 1.737
91 HG23 ILE 10 3HG2 ILE 10 9.276 4.826 2.638
92 HD11 ILE 10 3HD1 ILE 10 9.506 6.854 0.749
93 HD12 ILE 10 1HD1 ILE 10 7.804 7.196 0.358
94 HD13 ILE 10 2HD1 ILE 10 8.217 6.340 1.863
95 H ARG 11 H ARG 11 12.717 5.172 -0.033
96 HA ARG 11 HA ARG 11 14.671 4.740 0.778
97 HE ARG 11 HE ARG 11 11.749 5.561 4.459
98 HB2 ARG 11 1HB ARG 11 13.202 2.455 2.172
99 HB3 ARG 11 2HB ARG 11 14.899 2.779 2.464
100 HG2 ARG 11 1HG ARG 11 14.474 4.853 3.502
101 HG3 ARG 11 2HG ARG 11 12.936 5.067 2.689
102 HD2 ARG 11 1HD ARG 11 12.268 2.865 4.072
103 HD3 ARG 11 2HD ARG 11 13.582 3.380 5.112
104 HH11 ARG 11 1HH1 ARG 11 12.299 2.835 6.654
105 HH12 ARG 11 2HH1 ARG 11 11.315 3.494 7.918
106 HH21 ARG 11 1HH2 ARG 11 10.488 6.403 6.083
107 HH22 ARG 11 2HH2 ARG 11 10.238 5.609 7.586
108 H GLY 12 H GLY 12 13.940 3.671 -1.827
109 HA3 GLY 12 2HA GLY 12 16.145 2.017 -2.356
110 H VAL 13 H VAL 13 13.000 1.303 -1.028
111 HA VAL 13 HA VAL 13 13.274 -1.502 -1.842
112 HB VAL 13 HB VAL 13 12.444 -0.678 0.927
113 HG11 VAL 13 1HG1 VAL 13 13.528 -3.043 1.301
114 HG12 VAL 13 2HG1 VAL 13 11.886 -2.904 0.630
115 HG13 VAL 13 3HG1 VAL 13 13.265 -3.220 -0.451
116 HG21 VAL 13 3HG2 VAL 13 15.146 -0.577 -0.231
117 HG22 VAL 13 1HG2 VAL 13 14.515 0.123 1.279
118 HG23 VAL 13 2HG2 VAL 13 15.028 -1.581 1.234
119 H LEU 14 H LEU 14 11.178 -2.735 -1.512
120 HA LEU 14 HA LEU 14 8.979 -0.940 -2.218
121 HG LEU 14 HG LEU 14 7.067 -3.474 -3.684
122 HB2 LEU 14 1HB LEU 14 9.876 -2.946 -3.647
123 HB3 LEU 14 2HB LEU 14 8.918 -3.914 -2.545
124 HD11 LEU 14 1HD1 LEU 14 6.925 -1.402 -2.286
125 HD12 LEU 14 2HD1 LEU 14 7.662 -0.506 -3.636
126 HD13 LEU 14 3HD1 LEU 14 6.084 -1.301 -3.852
127 HD21 LEU 14 3HD2 LEU 14 7.207 -2.405 -5.895
128 HD22 LEU 14 1HD2 LEU 14 8.840 -1.817 -5.499
129 HD23 LEU 14 2HD2 LEU 14 8.529 -3.565 -5.622
130 H VAL 15 H VAL 15 7.608 -0.394 -0.617
131 HA VAL 15 HA VAL 15 7.309 -2.323 1.577
132 HB VAL 15 HB VAL 15 6.461 0.525 1.807
133 HG11 VAL 15 1HG1 VAL 15 7.285 -1.717 3.573
134 HG12 VAL 15 2HG1 VAL 15 7.782 -0.087 4.086
135 HG13 VAL 15 3HG1 VAL 15 6.060 -0.449 3.817
136 HG21 VAL 15 3HG2 VAL 15 9.350 -0.394 1.763
137 HG22 VAL 15 1HG2 VAL 15 8.587 0.874 0.774
138 HG23 VAL 15 2HG2 VAL 15 8.811 1.122 2.522
139 H ARG 16 H ARG 16 5.226 -2.949 2.244
140 HA ARG 16 HA ARG 16 3.226 -2.393 0.230
141 HE ARG 16 HE ARG 16 5.586 -7.044 2.085
142 HB2 ARG 16 1HB ARG 16 2.790 -4.389 2.456
143 HB3 ARG 16 2HB ARG 16 2.243 -4.460 0.793
144 HG2 ARG 16 1HG ARG 16 4.754 -4.685 0.148
145 HG3 ARG 16 2HG ARG 16 5.053 -4.976 1.850
146 HD2 ARG 16 1HD ARG 16 2.832 -6.641 1.102
147 HD3 ARG 16 2HD ARG 16 4.045 -6.823 -0.149
148 HH11 ARG 16 1HH1 ARG 16 2.497 -8.568 1.254
149 HH12 ARG 16 2HH1 ARG 16 2.804 -9.989 2.196
150 HH21 ARG 16 1HH2 ARG 16 5.975 -8.869 3.292
151 HH22 ARG 16 2HH2 ARG 16 4.864 -10.174 3.407
152 H TYR 17 H TYR 17 1.049 -1.711 0.845
153 HA TYR 17 HA TYR 17 0.619 -1.013 3.626
154 HD1 TYR 17 HD1 TYR 17 2.663 0.565 0.343
155 HD2 TYR 17 HD2 TYR 17 -1.390 1.757 1.015
156 HE1 TYR 17 HE1 TYR 17 2.438 1.205 -2.107
157 HE2 TYR 17 HE2 TYR 17 -1.602 2.394 -1.438
158 HH TYR 17 HH TYR 17 0.024 3.123 -3.253
159 HB2 TYR 17 1HB TYR 17 0.113 1.370 2.883
160 HB3 TYR 17 2HB TYR 17 1.796 0.955 2.625
161 H ARG 18 H ARG 18 -1.661 -0.215 3.978
162 HA ARG 18 HA ARG 18 -3.362 -1.393 1.930
163 HE ARG 18 HE ARG 18 -4.996 -2.471 5.970
164 HB2 ARG 18 1HB ARG 18 -4.114 -1.045 4.865
165 HB3 ARG 18 2HB ARG 18 -4.903 -2.062 3.676
166 HG2 ARG 18 1HG ARG 18 -2.490 -3.207 3.512
167 HG3 ARG 18 2HG ARG 18 -2.273 -2.501 5.101
168 HD2 ARG 18 1HD ARG 18 -4.365 -4.531 4.228
169 HD3 ARG 18 2HD ARG 18 -3.162 -4.699 5.491
170 HH11 ARG 18 1HH1 ARG 18 -4.547 -5.962 6.377
171 HH12 ARG 18 2HH1 ARG 18 -5.651 -6.075 7.706
172 HH21 ARG 18 1HH2 ARG 18 -6.413 -2.621 7.675
173 HH22 ARG 18 2HH2 ARG 18 -6.761 -4.097 8.481
174 H ARG 19 H ARG 19 -4.906 -0.052 0.996
175 HA ARG 19 HA ARG 19 -5.329 2.488 2.357
176 HE ARG 19 HE ARG 19 -5.758 5.566 0.294
177 HB2 ARG 19 1HB ARG 19 -4.937 1.846 -0.587
178 HB3 ARG 19 2HB ARG 19 -5.841 3.275 -0.127
179 HG2 ARG 19 1HG ARG 19 -3.559 3.381 1.518
180 HG3 ARG 19 2HG ARG 19 -2.937 2.784 -0.008
181 HD2 ARG 19 1HD ARG 19 -2.845 5.212 -0.082
182 HD3 ARG 19 2HD ARG 19 -4.108 4.702 -1.184
183 HH11 ARG 19 1HH1 ARG 19 -2.534 5.778 1.749
184 HH12 ARG 19 2HH1 ARG 19 -3.041 6.842 3.018
185 HH21 ARG 19 1HH2 ARG 19 -6.404 6.929 1.924
186 HH22 ARG 19 2HH2 ARG 19 -5.335 7.528 3.128
187 H CYS 20 H CYS 20 -7.506 3.546 1.711
188 HA CYS 20 HA CYS 20 -9.476 1.455 1.136
189 HB2 CYS 20 1HB CYS 20 -9.548 3.584 3.269
190 HB3 CYS 20 2HB CYS 20 -11.009 2.826 2.667
191 H TRP 21 H TRP 21 -11.579 2.458 0.263
192 HA TRP 21 HA TRP 21 -10.946 4.210 -1.852
193 HD1 TRP 21 1HD TRP 21 -15.556 4.205 -2.550
194 HE1 TRP 21 HE1 TRP 21 -17.334 4.924 -0.737
195 HE3 TRP 21 HE3 TRP 21 -12.489 3.594 1.459
196 HZ2 TRP 21 HZ2 TRP 21 -17.259 5.151 2.107
197 HZ3 TRP 21 HZ3 TRP 21 -13.420 4.086 3.719
198 HH2 TRP 21 2HH TRP 21 -15.717 4.840 4.078
199 HB2 TRP 21 1HB TRP 21 -12.976 3.683 -2.652
200 HB3 TRP 21 2HB TRP 21 -12.835 2.375 -1.494
Start of MODEL 20
1 HA ARG 1 HA ARG 1 -14.241 2.794 -1.621
2 HE ARG 1 HE ARG 1 -16.675 5.249 2.226
3 H1 ARG 1 1H ARG 1 -16.217 3.113 -2.765
4 H2 ARG 1 2H ARG 1 -15.635 1.582 -3.002
5 H3 ARG 1 3H ARG 1 -16.931 1.827 -2.004
6 HB2 ARG 1 1HB ARG 1 -14.976 3.653 0.543
7 HB3 ARG 1 2HB ARG 1 -16.072 4.270 -0.677
8 HG2 ARG 1 1HG ARG 1 -17.493 2.098 -0.111
9 HG3 ARG 1 2HG ARG 1 -16.556 2.087 1.369
10 HD2 ARG 1 1HD ARG 1 -18.039 4.575 0.412
11 HD3 ARG 1 2HD ARG 1 -18.803 3.370 1.429
12 HH11 ARG 1 1HH1 ARG 1 -18.472 2.314 3.070
13 HH12 ARG 1 2HH1 ARG 1 -18.085 2.413 4.756
14 HH21 ARG 1 1HH2 ARG 1 -16.181 5.372 4.389
15 HH22 ARG 1 2HH2 ARG 1 -16.726 4.223 5.544
16 H TRP 2 H TRP 2 -12.935 1.055 -1.139
17 HA TRP 2 HA TRP 2 -13.851 -0.821 0.865
18 HD1 TRP 2 HD1 TRP 2 -11.444 -3.585 -1.851
19 HE1 TRP 2 HE1 TRP 2 -10.409 -3.095 -4.228
20 HE3 TRP 2 HE3 TRP 2 -14.462 0.362 -2.929
21 HZ2 TRP 2 HZ2 TRP 2 -10.957 -1.154 -6.248
22 HZ3 TRP 2 HZ3 TRP 2 -14.147 1.499 -5.125
23 HH2 TRP 2 HH2 TRP 2 -12.467 0.800 -6.758
24 HB2 TRP 2 1HB TRP 2 -13.503 -2.789 -0.417
25 HB3 TRP 2 2HB TRP 2 -14.663 -1.781 -1.259
26 H CYS 3 H CYS 3 -11.866 -2.410 1.287
27 HA CYS 3 HA CYS 3 -9.527 -0.677 1.328
28 HB2 CYS 3 1HB CYS 3 -10.192 -3.163 2.919
29 HB3 CYS 3 2HB CYS 3 -8.685 -2.276 3.041
30 H VAL 4 H VAL 4 -7.476 -1.453 0.529
31 HA VAL 4 HA VAL 4 -7.398 -4.069 -0.689
32 HB VAL 4 HB VAL 4 -7.150 -3.429 -2.886
33 HG11 VAL 4 1HG1 VAL 4 -9.041 -1.914 -3.443
34 HG12 VAL 4 2HG1 VAL 4 -9.473 -3.155 -2.242
35 HG13 VAL 4 3HG1 VAL 4 -9.167 -1.481 -1.722
36 HG21 VAL 4 3HG2 VAL 4 -6.605 -0.616 -1.892
37 HG22 VAL 4 1HG2 VAL 4 -5.472 -1.733 -2.691
38 HG23 VAL 4 2HG2 VAL 4 -6.828 -1.034 -3.608
39 H TYR 5 H TYR 5 -5.181 -4.685 -1.273
40 HA TYR 5 HA TYR 5 -3.267 -3.169 0.338
41 HD1 TYR 5 HD2 TYR 5 -4.528 -4.249 1.914
42 HD2 TYR 5 HD1 TYR 5 -3.877 -7.915 -0.194
43 HE1 TYR 5 HE2 TYR 5 -6.237 -5.412 3.394
44 HE2 TYR 5 HE1 TYR 5 -5.589 -9.066 1.294
45 HH TYR 5 HH TYR 5 -7.787 -7.890 2.750
46 HB2 TYR 5 1HB TYR 5 -2.963 -5.893 -1.038
47 HB3 TYR 5 2HB TYR 5 -2.109 -5.330 0.385
48 H ALA 6 H ALA 6 -1.392 -2.284 -0.514
49 HA ALA 6 HA ALA 6 -0.683 -2.905 -3.248
50 HB1 ALA 6 3HB ALA 6 -1.915 -0.313 -2.360
51 HB2 ALA 6 1HB ALA 6 -0.603 -0.261 -3.561
52 HB3 ALA 6 2HB ALA 6 -2.085 -1.185 -3.902
53 H TYR 7 H TYR 7 1.460 -1.876 -3.811
54 HA TYR 7 HA TYR 7 3.015 -1.477 -1.343
55 HD1 TYR 7 HD2 TYR 7 3.770 -4.236 -0.849
56 HD2 TYR 7 HD1 TYR 7 2.480 -4.075 -4.925
57 HE1 TYR 7 HE2 TYR 7 2.725 -6.542 -0.616
58 HE2 TYR 7 HE1 TYR 7 1.439 -6.382 -4.679
59 HH TYR 7 HH TYR 7 2.145 -8.411 -2.105
60 HB2 TYR 7 1HB TYR 7 3.966 -2.426 -4.103
61 HB3 TYR 7 2HB TYR 7 4.796 -2.643 -2.575
62 H VAL 8 H VAL 8 4.969 -0.084 -1.584
63 HA VAL 8 HA VAL 8 4.806 1.773 -3.826
64 HB VAL 8 HB VAL 8 3.526 3.023 -2.398
65 HG11 VAL 8 1HG1 VAL 8 4.600 3.086 0.168
66 HG12 VAL 8 2HG1 VAL 8 3.169 2.169 -0.358
67 HG13 VAL 8 3HG1 VAL 8 4.765 1.383 -0.322
68 HG21 VAL 8 3HG2 VAL 8 4.932 4.795 -1.417
69 HG22 VAL 8 1HG2 VAL 8 6.364 3.752 -1.597
70 HG23 VAL 8 2HG2 VAL 8 5.493 4.325 -3.039
71 H ARG 9 H ARG 9 6.815 3.091 -4.025
72 HA ARG 9 HA ARG 9 9.024 1.468 -3.126
73 HE ARG 9 HE ARG 9 11.302 5.304 -6.372
74 HB2 ARG 9 1HB ARG 9 9.296 1.851 -5.424
75 HB3 ARG 9 2HB ARG 9 8.562 3.441 -5.358
76 HG2 ARG 9 1HG ARG 9 10.541 4.477 -4.576
77 HG3 ARG 9 2HG ARG 9 11.195 2.982 -3.936
78 HD2 ARG 9 1HD ARG 9 12.289 2.574 -5.884
79 HD3 ARG 9 2HD ARG 9 10.788 2.646 -6.785
80 HH11 ARG 9 1HH1 ARG 9 13.350 2.673 -7.572
81 HH12 ARG 9 2HH1 ARG 9 14.320 3.713 -8.561
82 HH21 ARG 9 1HH2 ARG 9 12.550 6.634 -7.641
83 HH22 ARG 9 2HH2 ARG 9 13.852 6.062 -8.606
84 H ILE 10 H ILE 10 9.922 2.086 -1.179
85 HA ILE 10 HA ILE 10 10.419 4.946 -0.814
86 HB ILE 10 HB ILE 10 9.149 3.083 1.193
87 HG12 ILE 10 1HG1 ILE 10 7.993 4.712 -0.749
88 HG13 ILE 10 2HG1 ILE 10 7.199 4.001 0.642
89 HG21 ILE 10 1HG2 ILE 10 10.159 5.910 1.608
90 HG22 ILE 10 2HG2 ILE 10 9.259 4.925 2.787
91 HG23 ILE 10 3HG2 ILE 10 10.889 4.429 2.272
92 HD11 ILE 10 3HD1 ILE 10 6.845 6.461 0.549
93 HD12 ILE 10 1HD1 ILE 10 7.746 5.995 2.011
94 HD13 ILE 10 2HD1 ILE 10 8.605 6.713 0.627
95 H ARG 11 H ARG 11 12.480 5.391 -0.163
96 HA ARG 11 HA ARG 11 14.541 5.090 0.408
97 HE ARG 11 HE ARG 11 16.351 6.356 2.091
98 HB2 ARG 11 1HB ARG 11 13.314 2.799 1.991
99 HB3 ARG 11 2HB ARG 11 15.048 3.055 2.013
100 HG2 ARG 11 1HG ARG 11 13.388 5.500 2.477
101 HG3 ARG 11 2HG ARG 11 13.299 4.284 3.735
102 HD2 ARG 11 1HD ARG 11 15.214 5.243 4.538
103 HD3 ARG 11 2HD ARG 11 16.026 4.352 3.266
104 HH11 ARG 11 1HH1 ARG 11 13.908 6.879 4.603
105 HH12 ARG 11 2HH1 ARG 11 13.852 8.593 4.366
106 HH21 ARG 11 1HH2 ARG 11 16.276 8.556 1.790
107 HH22 ARG 11 2HH2 ARG 11 15.253 9.594 2.699
108 H GLY 12 H GLY 12 13.642 4.004 -2.110
109 HA3 GLY 12 2HA GLY 12 15.860 2.468 -2.869
110 H VAL 13 H VAL 13 12.906 1.579 -1.245
111 HA VAL 13 HA VAL 13 13.299 -1.213 -2.069
112 HB VAL 13 HB VAL 13 12.503 -0.421 0.715
113 HG11 VAL 13 1HG1 VAL 13 14.147 -2.738 0.602
114 HG12 VAL 13 2HG1 VAL 13 12.409 -2.633 0.972
115 HG13 VAL 13 3HG1 VAL 13 12.949 -2.875 -0.707
116 HG21 VAL 13 3HG2 VAL 13 15.153 -0.090 -0.528
117 HG22 VAL 13 1HG2 VAL 13 14.495 0.594 0.978
118 HG23 VAL 13 2HG2 VAL 13 15.163 -1.056 0.966
119 H LEU 14 H LEU 14 11.320 -2.574 -1.735
120 HA LEU 14 HA LEU 14 8.974 -0.943 -2.341
121 HG LEU 14 HG LEU 14 7.198 -3.679 -3.665
122 HB2 LEU 14 1HB LEU 14 9.934 -2.864 -3.811
123 HB3 LEU 14 2HB LEU 14 9.155 -3.921 -2.650
124 HD11 LEU 14 1HD1 LEU 14 6.919 -1.639 -2.254
125 HD12 LEU 14 2HD1 LEU 14 7.493 -0.665 -3.629
126 HD13 LEU 14 3HD1 LEU 14 5.992 -1.611 -3.773
127 HD21 LEU 14 3HD2 LEU 14 7.083 -2.583 -5.875
128 HD22 LEU 14 1HD2 LEU 14 8.687 -1.868 -5.584
129 HD23 LEU 14 2HD2 LEU 14 8.508 -3.635 -5.700
130 H VAL 15 H VAL 15 7.695 -0.437 -0.651
131 HA VAL 15 HA VAL 15 7.576 -2.378 1.546
132 HB VAL 15 HB VAL 15 6.586 0.428 1.777
133 HG11 VAL 15 1HG1 VAL 15 6.268 -0.524 3.809
134 HG12 VAL 15 2HG1 VAL 15 7.520 -1.763 3.547
135 HG13 VAL 15 3HG1 VAL 15 7.986 -0.115 4.035
136 HG21 VAL 15 3HG2 VAL 15 8.956 1.080 2.482
137 HG22 VAL 15 1HG2 VAL 15 9.499 -0.377 1.615
138 HG23 VAL 15 2HG2 VAL 15 8.652 0.918 0.735
139 H ARG 16 H ARG 16 5.528 -3.020 2.382
140 HA ARG 16 HA ARG 16 3.450 -2.714 0.397
141 HE ARG 16 HE ARG 16 5.436 -6.764 -0.451
142 HB2 ARG 16 1HB ARG 16 3.162 -4.523 2.800
143 HB3 ARG 16 2HB ARG 16 2.573 -4.762 1.167
144 HG2 ARG 16 1HG ARG 16 5.078 -4.930 0.470
145 HG3 ARG 16 2HG ARG 16 5.426 -5.077 2.181
146 HD2 ARG 16 1HD ARG 16 4.709 -7.243 2.245
147 HD3 ARG 16 2HD ARG 16 3.228 -6.863 1.390
148 HH11 ARG 16 1HH1 ARG 16 3.478 -9.098 1.358
149 HH12 ARG 16 2HH1 ARG 16 3.734 -10.380 0.222
150 HH21 ARG 16 1HH2 ARG 16 5.761 -8.411 -1.905
151 HH22 ARG 16 2HH2 ARG 16 5.086 -9.980 -1.715
152 H TYR 17 H TYR 17 1.283 -2.025 0.989
153 HA TYR 17 HA TYR 17 0.876 -1.128 3.719
154 HD1 TYR 17 HD1 TYR 17 -1.517 1.407 1.549
155 HD2 TYR 17 HD2 TYR 17 2.293 0.391 -0.114
156 HE1 TYR 17 HE1 TYR 17 -2.368 1.987 -0.776
157 HE2 TYR 17 HE2 TYR 17 1.428 0.974 -2.432
158 HH TYR 17 HH TYR 17 -1.838 2.285 -2.861
159 HB2 TYR 17 1HB TYR 17 0.486 1.181 2.973
160 HB3 TYR 17 2HB TYR 17 2.026 0.707 2.285
161 H ARG 18 H ARG 18 -1.447 -0.102 3.865
162 HA ARG 18 HA ARG 18 -3.150 -1.444 1.934
163 HE ARG 18 HE ARG 18 -4.868 -3.554 6.238
164 HB2 ARG 18 1HB ARG 18 -3.639 -1.400 4.955
165 HB3 ARG 18 2HB ARG 18 -4.666 -2.170 3.762
166 HG2 ARG 18 1HG ARG 18 -3.138 -3.911 3.354
167 HG3 ARG 18 2HG ARG 18 -1.753 -2.959 3.850
168 HD2 ARG 18 1HD ARG 18 -2.208 -4.650 5.567
169 HD3 ARG 18 2HD ARG 18 -2.546 -3.064 6.233
170 HH11 ARG 18 1HH1 ARG 18 -3.060 -6.133 4.614
171 HH12 ARG 18 2HH1 ARG 18 -4.396 -7.235 4.609
172 HH21 ARG 18 1HH2 ARG 18 -6.578 -4.972 6.229
173 HH22 ARG 18 2HH2 ARG 18 -6.485 -6.553 5.565
174 H ARG 19 H ARG 19 -4.872 -0.161 1.224
175 HA ARG 19 HA ARG 19 -5.464 2.173 2.841
176 HE ARG 19 HE ARG 19 -5.535 5.185 1.502
177 HB2 ARG 19 1HB ARG 19 -4.775 2.095 -0.124
178 HB3 ARG 19 2HB ARG 19 -5.749 3.397 0.530
179 HG2 ARG 19 1HG ARG 19 -3.734 3.431 2.357
180 HG3 ARG 19 2HG ARG 19 -2.848 2.774 0.995
181 HD2 ARG 19 1HD ARG 19 -2.642 5.198 0.909
182 HD3 ARG 19 2HD ARG 19 -3.671 4.706 -0.422
183 HH11 ARG 19 1HH1 ARG 19 -2.739 7.106 0.480
184 HH12 ARG 19 2HH1 ARG 19 -3.469 8.620 0.901
185 HH21 ARG 19 1HH2 ARG 19 -6.467 7.129 2.041
186 HH22 ARG 19 2HH2 ARG 19 -5.679 8.640 1.827
187 H CYS 20 H CYS 20 -7.648 3.164 2.230
188 HA CYS 20 HA CYS 20 -9.355 1.347 0.746
189 HB2 CYS 20 1HB CYS 20 -10.414 2.291 3.368
190 HB3 CYS 20 2HB CYS 20 -10.859 0.891 2.412
191 H TRP 21 H TRP 21 -10.928 2.508 -0.407
192 HA TRP 21 HA TRP 21 -11.087 5.379 0.218
193 HD1 TRP 21 1HD TRP 21 -12.173 3.170 -3.784
194 HE1 TRP 21 HE1 TRP 21 -10.744 1.198 -4.802
195 HE3 TRP 21 HE3 TRP 21 -7.932 4.196 -1.173
196 HZ2 TRP 21 HZ2 TRP 21 -8.061 0.309 -4.410
197 HZ3 TRP 21 HZ3 TRP 21 -5.953 2.727 -1.549
198 HH2 TRP 21 2HH TRP 21 -5.971 0.840 -3.102
199 HB2 TRP 21 1HB TRP 21 -11.650 5.403 -2.375
200 HB3 TRP 21 2HB TRP 21 -10.022 5.576 -1.749