Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
621823 | 5h2s RC | 36025 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 PHE 1 H1 PHE 1 45.763 6.151 16.255
2 H2 PHE 1 H2 PHE 1 46.736 7.452 16.753
3 H3 PHE 1 H3 PHE 1 45.802 7.577 15.338
4 HA PHE 1 HA PHE 1 43.801 7.180 16.867
5 HB2 PHE 1 HB3 PHE 1 45.904 8.159 18.824
6 HB3 PHE 1 HB2 PHE 1 44.184 7.974 19.168
7 HD1 PHE 1 HD1 PHE 1 47.237 6.098 18.129
8 HD2 PHE 1 HD2 PHE 1 43.285 5.867 19.797
9 HE1 PHE 1 HE1 PHE 1 47.609 3.710 18.680
10 HE2 PHE 1 HE2 PHE 1 43.658 3.478 20.348
11 HZ PHE 1 HZ PHE 1 45.820 2.399 19.789
12 H ILE 2 HN ILE 2 45.140 8.947 14.894
13 HA ILE 2 HA ILE 2 44.933 11.655 15.974
14 HB ILE 2 HB ILE 2 45.143 10.743 13.088
15 HG12 ILE 2 HG13 ILE 2 47.280 11.494 15.105
16 HG13 ILE 2 HG12 ILE 2 47.002 9.887 14.435
17 HG21 ILE 2 HG21 ILE 2 44.413 13.196 13.745
18 HG22 ILE 2 HG22 ILE 2 45.669 12.963 12.537
19 HG23 ILE 2 HG23 ILE 2 46.105 13.380 14.193
20 HD11 ILE 2 HD11 ILE 2 47.383 10.893 12.138
21 HD12 ILE 2 HD12 ILE 2 48.807 10.853 13.178
22 HD13 ILE 2 HD13 ILE 2 47.919 12.361 12.954
23 H HIS 3 HN HIS 3 43.435 11.112 12.876
24 HA HIS 3 HA HIS 3 40.713 11.147 13.958
25 HB2 HIS 3 HB3 HIS 3 40.127 13.302 12.924
26 HB3 HIS 3 HB2 HIS 3 41.366 13.504 14.158
27 HD1 HIS 3 HD1 HIS 3 41.164 15.652 12.034
28 HD2 HIS 3 HD2 HIS 3 43.618 12.306 11.582
29 HE1 HIS 3 HE1 HIS 3 42.948 16.280 10.350
30 HE2 HIS 3 HE2 HIS 3 44.426 14.247 10.053
31 H HIS 4 HN HIS 4 42.936 10.700 11.419
32 HA HIS 4 HA HIS 4 40.752 10.181 9.440
33 HB2 HIS 4 HB3 HIS 4 42.411 10.367 7.720
34 HB3 HIS 4 HB2 HIS 4 42.667 11.729 8.808
35 HD1 HIS 4 HD1 HIS 4 45.032 12.018 9.551
36 HD2 HIS 4 HD2 HIS 4 44.202 8.066 8.525
37 HE1 HIS 4 HE1 HIS 4 47.213 10.747 9.787
38 HE2 HIS 4 HE2 HIS 4 46.720 8.335 9.165
39 H ILE 5 HN ILE 5 42.924 8.695 11.585
40 HA ILE 5 HA ILE 5 43.087 6.176 10.089
41 HB ILE 5 HB ILE 5 44.440 5.375 11.854
42 HG12 ILE 5 HG13 ILE 5 42.984 5.868 13.771
43 HG13 ILE 5 HG12 ILE 5 44.599 6.491 14.070
44 HG21 ILE 5 HG21 ILE 5 45.489 7.196 10.578
45 HG22 ILE 5 HG22 ILE 5 46.058 7.192 12.247
46 HG23 ILE 5 HG23 ILE 5 44.859 8.376 11.727
47 HD11 ILE 5 HD11 ILE 5 43.030 8.187 14.745
48 HD12 ILE 5 HD12 ILE 5 42.176 8.079 13.215
49 HD13 ILE 5 HD13 ILE 5 43.802 8.746 13.264
50 H ILE 6 HN ILE 6 40.727 7.745 11.847
51 HA ILE 6 HA ILE 6 39.567 5.330 13.077
52 HB ILE 6 HB ILE 6 37.605 7.161 13.377
53 HG12 ILE 6 HG13 ILE 6 40.048 8.936 13.319
54 HG13 ILE 6 HG12 ILE 6 39.047 8.735 11.886
55 HG21 ILE 6 HG21 ILE 6 40.210 7.008 14.906
56 HG22 ILE 6 HG22 ILE 6 38.703 6.162 15.262
57 HG23 ILE 6 HG23 ILE 6 38.804 7.909 15.474
58 HD11 ILE 6 HD11 ILE 6 38.459 10.700 13.406
59 HD12 ILE 6 HD12 ILE 6 37.893 9.501 14.569
60 HD13 ILE 6 HD13 ILE 6 37.129 9.622 12.983
61 H GLY 7 HN GLY 7 38.543 7.685 10.584
62 HA2 GLY 7 HA3 GLY 7 36.320 6.176 9.655
63 HA3 GLY 7 HA2 GLY 7 37.203 7.362 8.685
64 H GLY 8 HN GLY 8 39.454 5.288 9.750
65 HA2 GLY 8 HA3 GLY 8 39.573 3.862 7.163
66 HA3 GLY 8 HA2 GLY 8 40.829 3.861 8.408
67 H LEU 9 HN LEU 9 39.142 3.187 10.600
68 HA LEU 9 HA LEU 9 38.176 0.439 9.900
69 HB2 LEU 9 HB3 LEU 9 39.047 -0.059 12.357
70 HB3 LEU 9 HB2 LEU 9 40.150 -0.157 10.989
71 HG LEU 9 HG LEU 9 39.850 2.530 12.288
72 HD11 LEU 9 HD11 LEU 9 41.646 1.862 13.956
73 HD12 LEU 9 HD12 LEU 9 41.273 0.183 13.566
74 HD13 LEU 9 HD13 LEU 9 40.038 1.216 14.285
75 HD21 LEU 9 HD21 LEU 9 41.361 2.259 10.380
76 HD22 LEU 9 HD22 LEU 9 42.193 0.933 11.192
77 HD23 LEU 9 HD23 LEU 9 42.311 2.571 11.831
78 H PHE 10 HN PHE 10 38.057 3.236 12.054
79 HA PHE 10 HA PHE 10 36.079 2.575 13.860
80 HB2 PHE 10 HB3 PHE 10 37.314 4.813 13.449
81 HB3 PHE 10 HB2 PHE 10 36.001 5.181 12.328
82 HD1 PHE 10 HD1 PHE 10 34.007 6.106 13.147
83 HD2 PHE 10 HD2 PHE 10 36.622 4.010 15.834
84 HE1 PHE 10 HE1 PHE 10 32.569 6.767 15.060
85 HE2 PHE 10 HE2 PHE 10 35.184 4.670 17.748
86 HZ PHE 10 HZ PHE 10 33.158 6.048 17.359
87 H SER 11 HN SER 11 35.713 3.188 10.414
88 HA SER 11 HA SER 11 32.886 3.485 10.319
89 HB2 SER 11 HB3 SER 11 34.213 3.954 8.347
90 HB3 SER 11 HB2 SER 11 34.828 2.299 8.313
91 HG SER 11 HG SER 11 32.311 3.315 7.624
92 H ALA 12 HN ALA 12 34.914 0.555 10.123
93 HA ALA 12 HA ALA 12 32.514 -1.160 10.154
94 HB1 ALA 12 HB1 ALA 12 34.070 -3.020 10.014
95 HB2 ALA 12 HB2 ALA 12 35.430 -1.958 10.376
96 HB3 ALA 12 HB3 ALA 12 34.565 -1.794 8.848
97 H GLY 13 HN GLY 13 35.019 0.004 12.319
98 HA2 GLY 13 HA3 GLY 13 34.716 -1.760 14.487
99 HA3 GLY 13 HA2 GLY 13 35.069 -0.033 14.672
100 H LYS 14 HN LYS 14 32.783 1.055 13.540
101 HA LYS 14 HA LYS 14 30.919 1.034 15.699
102 HB2 LYS 14 HB3 LYS 14 30.672 1.843 12.794
103 HB3 LYS 14 HB2 LYS 14 29.335 2.022 13.932
104 HG2 LYS 14 HG3 LYS 14 30.515 3.572 15.269
105 HG3 LYS 14 HG2 LYS 14 32.075 3.122 14.572
106 HD2 LYS 14 HD3 LYS 14 31.377 5.272 13.659
107 HD3 LYS 14 HD2 LYS 14 31.325 4.055 12.384
108 HE2 LYS 14 HE3 LYS 14 28.952 3.878 12.510
109 HE3 LYS 14 HE2 LYS 14 28.895 4.758 14.037
110 HZ1 LYS 14 HZ1 LYS 14 30.183 6.432 12.285
111 HZ2 LYS 14 HZ2 LYS 14 28.583 6.579 12.837
112 HZ3 LYS 14 HZ3 LYS 14 28.911 5.770 11.379
113 H ALA 15 HN ALA 15 30.842 -0.615 12.546
114 HA ALA 15 HA ALA 15 28.387 -2.014 12.871
115 HB1 ALA 15 HB1 ALA 15 30.877 -2.977 11.444
116 HB2 ALA 15 HB2 ALA 15 29.682 -1.888 10.741
117 HB3 ALA 15 HB3 ALA 15 29.229 -3.538 11.168
118 H ILE 16 HN ILE 16 31.705 -2.813 13.880
119 HA ILE 16 HA ILE 16 30.873 -5.430 14.871
120 HB ILE 16 HB ILE 16 33.395 -3.769 15.049
121 HG12 ILE 16 HG13 ILE 16 34.350 -5.953 14.164
122 HG13 ILE 16 HG12 ILE 16 32.693 -6.532 14.021
123 HG21 ILE 16 HG21 ILE 16 32.702 -6.177 16.747
124 HG22 ILE 16 HG22 ILE 16 33.316 -4.613 17.282
125 HG23 ILE 16 HG23 ILE 16 34.370 -5.719 16.403
126 HD11 ILE 16 HD11 ILE 16 32.158 -4.670 12.510
127 HD12 ILE 16 HD12 ILE 16 33.528 -5.585 11.888
128 HD13 ILE 16 HD13 ILE 16 33.795 -4.039 12.692
129 H HIS 17 HN HIS 17 31.118 -2.169 16.023
130 HA HIS 17 HA HIS 17 30.786 -2.842 18.828
131 HB2 HIS 17 HB3 HIS 17 31.206 -0.620 19.111
132 HB3 HIS 17 HB2 HIS 17 31.309 -0.473 17.371
133 HD1 HIS 17 HD1 HIS 17 29.299 0.598 16.138
134 HD2 HIS 17 HD2 HIS 17 28.667 0.090 20.222
135 HE1 HIS 17 HE1 HIS 17 27.196 1.884 16.693
136 HE2 HIS 17 HE2 HIS 17 26.805 1.602 19.186
137 H ARG 18 HN ARG 18 28.816 -3.027 16.136
138 HA ARG 18 HA ARG 18 26.291 -2.629 17.659
139 HB2 ARG 18 HB3 ARG 18 26.902 -3.111 14.740
140 HB3 ARG 18 HB2 ARG 18 25.268 -3.230 15.392
141 HG2 ARG 18 HG3 ARG 18 25.347 -0.947 16.179
142 HG3 ARG 18 HG2 ARG 18 27.049 -0.808 15.744
143 HD2 ARG 18 HD3 ARG 18 25.139 0.108 14.114
144 HD3 ARG 18 HD2 ARG 18 26.597 -0.642 13.469
145 HE ARG 18 HE ARG 18 24.551 -2.617 13.952
146 HH11 ARG 18 HH11 ARG 18 23.547 -3.503 12.132
147 HH12 ARG 18 HH12 ARG 18 23.662 -2.682 10.611
148 HH21 ARG 18 HH21 ARG 18 25.579 -0.076 11.861
149 HH22 ARG 18 HH22 ARG 18 24.813 -0.743 10.458
150 H LEU 19 HN LEU 19 28.389 -5.078 16.364
151 HA LEU 19 HA LEU 19 26.589 -7.299 16.507
152 HB2 LEU 19 HB3 LEU 19 28.558 -7.850 15.383
153 HB3 LEU 19 HB2 LEU 19 29.560 -6.890 16.462
154 HG LEU 19 HG LEU 19 29.321 -8.634 18.221
155 HD11 LEU 19 HD11 LEU 19 27.062 -9.460 17.273
156 HD12 LEU 19 HD12 LEU 19 28.192 -10.699 17.810
157 HD13 LEU 19 HD13 LEU 19 28.017 -10.351 16.091
158 HD21 LEU 19 HD21 LEU 19 30.834 -10.181 17.229
159 HD22 LEU 19 HD22 LEU 19 31.125 -8.647 16.409
160 HD23 LEU 19 HD23 LEU 19 30.177 -9.905 15.616
161 H ILE 20 HN ILE 20 28.686 -5.682 18.852
162 HA ILE 20 HA ILE 20 28.127 -7.535 21.019
163 HB ILE 20 HB ILE 20 29.868 -6.348 21.909
164 HG12 ILE 20 HG13 ILE 20 28.012 -3.936 21.988
165 HG13 ILE 20 HG12 ILE 20 28.083 -5.186 23.229
166 HG21 ILE 20 HG21 ILE 20 30.739 -4.335 20.793
167 HG22 ILE 20 HG22 ILE 20 29.247 -4.224 19.876
168 HG23 ILE 20 HG23 ILE 20 30.326 -5.583 19.622
169 HD11 ILE 20 HD11 ILE 20 30.594 -4.627 23.375
170 HD12 ILE 20 HD12 ILE 20 29.469 -3.440 24.038
171 HD13 ILE 20 HD13 ILE 20 30.197 -3.177 22.453
172 H ARG 21 HN ARG 21 26.812 -4.357 20.132
173 HA ARG 21 HA ARG 21 24.921 -4.156 22.212
174 HB2 ARG 21 HB3 ARG 21 24.774 -3.167 19.356
175 HB3 ARG 21 HB2 ARG 21 23.637 -2.696 20.621
176 HG2 ARG 21 HG3 ARG 21 25.433 -1.750 21.954
177 HG3 ARG 21 HG2 ARG 21 26.636 -2.329 20.807
178 HD2 ARG 21 HD3 ARG 21 26.274 -0.013 20.319
179 HD3 ARG 21 HD2 ARG 21 25.471 -0.933 19.046
180 HE ARG 21 HE ARG 21 23.385 -0.193 19.884
181 HH11 ARG 21 HH11 ARG 21 22.133 1.100 21.250
182 HH12 ARG 21 HH12 ARG 21 22.861 1.819 22.648
183 HH21 ARG 21 HH21 ARG 21 25.995 0.466 22.038
184 HH22 ARG 21 HH22 ARG 21 25.048 1.461 23.094
185 H ARG 22 HN ARG 22 24.766 -5.800 19.104
186 HA ARG 22 HA ARG 22 22.003 -6.641 19.417
187 HB2 ARG 22 HB3 ARG 22 24.285 -7.500 17.630
188 HB3 ARG 22 HB2 ARG 22 22.760 -8.387 17.643
189 HG2 ARG 22 HG3 ARG 22 21.536 -6.335 17.083
190 HG3 ARG 22 HG2 ARG 22 23.041 -5.414 17.114
191 HD2 ARG 22 HD3 ARG 22 22.263 -6.133 14.806
192 HD3 ARG 22 HD2 ARG 22 23.910 -6.607 15.225
193 HE ARG 22 HE ARG 22 22.067 -8.694 15.947
194 HH11 ARG 22 HH11 ARG 22 22.015 -10.531 14.630
195 HH12 ARG 22 HH12 ARG 22 22.679 -10.454 13.032
196 HH21 ARG 22 HH21 ARG 22 23.616 -7.125 13.296
197 HH22 ARG 22 HH22 ARG 22 23.582 -8.525 12.276
198 H ARG 23 HN ARG 23 24.993 -7.553 20.761
199 HA ARG 23 HA ARG 23 24.032 -10.266 21.521
200 HB2 ARG 23 HB3 ARG 23 26.428 -9.738 20.644
201 HB3 ARG 23 HB2 ARG 23 26.713 -9.078 22.252
202 HG2 ARG 23 HG3 ARG 23 27.357 -11.282 22.620
203 HG3 ARG 23 HG2 ARG 23 25.650 -11.405 23.033
204 HD2 ARG 23 HD3 ARG 23 25.280 -11.985 20.542
205 HD3 ARG 23 HD2 ARG 23 27.022 -12.241 20.477
206 HE ARG 23 HE ARG 23 26.041 -13.702 22.695
207 HH11 ARG 23 HH11 ARG 23 25.651 -15.916 22.482
208 HH12 ARG 23 HH12 ARG 23 25.407 -16.591 20.905
209 HH21 ARG 23 HH21 ARG 23 25.777 -13.559 19.261
210 HH22 ARG 23 HH22 ARG 23 25.477 -15.255 19.081
211 H ARG 24 HN ARG 24 22.950 -7.676 22.659
212 HA ARG 24 HA ARG 24 23.949 -7.257 25.287
213 HB2 ARG 24 HB3 ARG 24 21.291 -6.812 23.941
214 HB3 ARG 24 HB2 ARG 24 21.383 -6.649 25.695
215 HG2 ARG 24 HG3 ARG 24 23.025 -4.915 25.543
216 HG3 ARG 24 HG2 ARG 24 23.290 -5.221 23.828
217 HD2 ARG 24 HD3 ARG 24 20.727 -4.177 25.069
218 HD3 ARG 24 HD2 ARG 24 21.883 -3.229 24.133
219 HE ARG 24 HE ARG 24 21.201 -5.285 22.416
220 HH11 ARG 24 HH11 ARG 24 19.462 -5.148 20.976
221 HH12 ARG 24 HH12 ARG 24 18.137 -4.092 21.337
222 HH21 ARG 24 HH21 ARG 24 19.491 -2.982 24.330
223 HH22 ARG 24 HH22 ARG 24 18.152 -2.869 23.237
224 H ARG 25 HN ARG 25 24.471 -9.359 26.054
225 HA ARG 25 HA ARG 25 22.711 -11.566 26.204
226 HB2 ARG 25 HB3 ARG 25 24.899 -10.785 28.155
227 HB3 ARG 25 HB2 ARG 25 24.187 -12.390 27.998
228 HG2 ARG 25 HG3 ARG 25 24.906 -12.342 25.558
229 HG3 ARG 25 HG2 ARG 25 25.839 -10.896 25.949
230 HD2 ARG 25 HD3 ARG 25 27.338 -12.763 26.152
231 HD3 ARG 25 HD2 ARG 25 26.951 -12.242 27.791
232 HE ARG 25 HE ARG 25 25.067 -14.229 27.111
233 HH11 ARG 25 HH11 ARG 25 25.398 -16.368 27.763
234 HH12 ARG 25 HH12 ARG 25 27.001 -16.904 28.145
235 HH21 ARG 25 HH21 ARG 25 28.472 -13.835 27.487
236 HH22 ARG 25 HH22 ARG 25 28.739 -15.472 27.987
Start of MODEL 2
1 H1 PHE 1 H1 PHE 1 45.782 6.988 17.879
2 H2 PHE 1 H2 PHE 1 45.015 7.098 16.367
3 H3 PHE 1 H3 PHE 1 44.819 5.708 17.324
4 HA PHE 1 HA PHE 1 42.842 6.852 17.653
5 HB2 PHE 1 HB3 PHE 1 44.726 7.764 19.850
6 HB3 PHE 1 HB2 PHE 1 42.972 7.645 19.974
7 HD1 PHE 1 HD1 PHE 1 46.078 5.669 19.421
8 HD2 PHE 1 HD2 PHE 1 41.908 5.565 20.444
9 HE1 PHE 1 HE1 PHE 1 46.292 3.280 20.055
10 HE2 PHE 1 HE2 PHE 1 42.122 3.177 21.076
11 HZ PHE 1 HZ PHE 1 44.315 2.035 20.882
12 H ILE 2 HN ILE 2 44.635 8.551 15.909
13 HA ILE 2 HA ILE 2 44.396 11.260 16.935
14 HB ILE 2 HB ILE 2 44.875 10.349 14.081
15 HG12 ILE 2 HG13 ILE 2 46.880 11.013 16.259
16 HG13 ILE 2 HG12 ILE 2 46.487 9.379 15.723
17 HG21 ILE 2 HG21 ILE 2 44.243 12.840 14.720
18 HG22 ILE 2 HG22 ILE 2 45.590 12.536 13.630
19 HG23 ILE 2 HG23 ILE 2 45.894 12.899 15.328
20 HD11 ILE 2 HD11 ILE 2 47.105 10.160 13.366
21 HD12 ILE 2 HD12 ILE 2 48.441 9.991 14.504
22 HD13 ILE 2 HD13 ILE 2 47.796 11.590 14.133
23 H HIS 3 HN HIS 3 43.263 10.924 13.684
24 HA HIS 3 HA HIS 3 40.428 11.001 14.431
25 HB2 HIS 3 HB3 HIS 3 40.044 13.212 13.400
26 HB3 HIS 3 HB2 HIS 3 41.100 13.323 14.804
27 HD1 HIS 3 HD1 HIS 3 41.307 15.582 12.849
28 HD2 HIS 3 HD2 HIS 3 43.610 12.124 12.437
29 HE1 HIS 3 HE1 HIS 3 43.316 16.211 11.442
30 HE2 HIS 3 HE2 HIS 3 44.709 14.113 11.173
31 H HIS 4 HN HIS 4 42.921 10.509 12.196
32 HA HIS 4 HA HIS 4 40.990 10.139 9.934
33 HB2 HIS 4 HB3 HIS 4 42.823 10.365 8.435
34 HB3 HIS 4 HB2 HIS 4 43.044 11.639 9.630
35 HD1 HIS 4 HD1 HIS 4 45.338 11.739 10.608
36 HD2 HIS 4 HD2 HIS 4 44.399 7.913 9.251
37 HE1 HIS 4 HE1 HIS 4 47.418 10.330 10.952
38 HE2 HIS 4 HE2 HIS 4 46.861 7.997 10.123
39 H ILE 5 HN ILE 5 42.862 8.520 12.273
40 HA ILE 5 HA ILE 5 43.115 6.042 10.725
41 HB ILE 5 HB ILE 5 44.228 5.144 12.608
42 HG12 ILE 5 HG13 ILE 5 42.581 5.600 14.359
43 HG13 ILE 5 HG12 ILE 5 44.150 6.210 14.866
44 HG21 ILE 5 HG21 ILE 5 45.455 6.990 11.529
45 HG22 ILE 5 HG22 ILE 5 45.839 6.889 13.247
46 HG23 ILE 5 HG23 ILE 5 44.734 8.134 12.663
47 HD11 ILE 5 HD11 ILE 5 43.455 8.483 14.011
48 HD12 ILE 5 HD12 ILE 5 42.518 7.900 15.384
49 HD13 ILE 5 HD13 ILE 5 41.846 7.820 13.767
50 H ILE 6 HN ILE 6 40.583 7.643 12.090
51 HA ILE 6 HA ILE 6 39.188 5.244 13.128
52 HB ILE 6 HB ILE 6 37.293 7.166 13.262
53 HG12 ILE 6 HG13 ILE 6 39.790 8.820 13.633
54 HG13 ILE 6 HG12 ILE 6 39.026 8.714 12.053
55 HG21 ILE 6 HG21 ILE 6 38.092 6.022 15.219
56 HG22 ILE 6 HG22 ILE 6 38.232 7.752 15.531
57 HG23 ILE 6 HG23 ILE 6 39.664 6.814 15.108
58 HD11 ILE 6 HD11 ILE 6 37.001 9.663 12.856
59 HD12 ILE 6 HD12 ILE 6 38.284 10.651 13.552
60 HD13 ILE 6 HD13 ILE 6 37.474 9.434 14.538
61 H GLY 7 HN GLY 7 38.573 7.759 10.658
62 HA2 GLY 7 HA3 GLY 7 36.436 6.384 9.378
63 HA3 GLY 7 HA2 GLY 7 37.452 7.606 8.603
64 H GLY 8 HN GLY 8 39.460 5.319 9.810
65 HA2 GLY 8 HA3 GLY 8 39.804 4.049 7.141
66 HA3 GLY 8 HA2 GLY 8 40.984 4.024 8.457
67 H LEU 9 HN LEU 9 38.992 3.319 10.473
68 HA LEU 9 HA LEU 9 38.210 0.551 9.657
69 HB2 LEU 9 HB3 LEU 9 38.991 -0.258 11.883
70 HB3 LEU 9 HB2 LEU 9 40.306 0.328 10.869
71 HG LEU 9 HG LEU 9 39.617 2.648 12.192
72 HD11 LEU 9 HD11 LEU 9 39.149 2.227 14.488
73 HD12 LEU 9 HD12 LEU 9 39.436 0.496 14.309
74 HD13 LEU 9 HD13 LEU 9 38.003 1.229 13.596
75 HD21 LEU 9 HD21 LEU 9 41.596 2.224 13.614
76 HD22 LEU 9 HD22 LEU 9 41.897 1.744 11.944
77 HD23 LEU 9 HD23 LEU 9 41.552 0.519 13.164
78 H PHE 10 HN PHE 10 37.808 3.312 11.800
79 HA PHE 10 HA PHE 10 35.749 2.569 13.479
80 HB2 PHE 10 HB3 PHE 10 36.886 4.847 13.173
81 HB3 PHE 10 HB2 PHE 10 35.707 5.147 11.894
82 HD1 PHE 10 HD1 PHE 10 33.693 6.175 12.496
83 HD2 PHE 10 HD2 PHE 10 35.850 3.893 15.427
84 HE1 PHE 10 HE1 PHE 10 32.024 6.812 14.219
85 HE2 PHE 10 HE2 PHE 10 34.179 4.529 17.151
86 HZ PHE 10 HZ PHE 10 32.267 5.989 16.546
87 H SER 11 HN SER 11 35.628 2.911 10.004
88 HA SER 11 HA SER 11 32.805 3.191 9.675
89 HB2 SER 11 HB3 SER 11 33.197 2.302 7.395
90 HB3 SER 11 HB2 SER 11 34.397 3.522 7.823
91 HG SER 11 HG SER 11 34.679 0.822 7.364
92 H ALA 12 HN ALA 12 34.832 0.235 9.583
93 HA ALA 12 HA ALA 12 32.434 -1.459 9.701
94 HB1 ALA 12 HB1 ALA 12 34.291 -2.357 8.451
95 HB2 ALA 12 HB2 ALA 12 34.138 -3.317 9.922
96 HB3 ALA 12 HB3 ALA 12 35.396 -2.086 9.799
97 H GLY 13 HN GLY 13 34.934 -0.231 11.842
98 HA2 GLY 13 HA3 GLY 13 34.591 -1.882 14.082
99 HA3 GLY 13 HA2 GLY 13 34.942 -0.150 14.195
100 H LYS 14 HN LYS 14 32.652 0.871 12.983
101 HA LYS 14 HA LYS 14 30.780 0.992 15.123
102 HB2 LYS 14 HB3 LYS 14 30.564 1.581 12.165
103 HB3 LYS 14 HB2 LYS 14 29.184 1.791 13.245
104 HG2 LYS 14 HG3 LYS 14 30.242 3.492 14.480
105 HG3 LYS 14 HG2 LYS 14 31.854 3.024 13.930
106 HD2 LYS 14 HD3 LYS 14 30.999 5.122 12.850
107 HD3 LYS 14 HD2 LYS 14 31.392 3.847 11.697
108 HE2 LYS 14 HE3 LYS 14 29.105 3.304 11.353
109 HE3 LYS 14 HE2 LYS 14 28.595 4.205 12.780
110 HZ1 LYS 14 HZ1 LYS 14 28.131 5.440 10.764
111 HZ2 LYS 14 HZ2 LYS 14 29.768 5.372 10.313
112 HZ3 LYS 14 HZ3 LYS 14 29.299 6.247 11.692
113 H ALA 15 HN ALA 15 30.670 -0.883 12.097
114 HA ALA 15 HA ALA 15 28.241 -2.275 12.582
115 HB1 ALA 15 HB1 ALA 15 29.325 -2.364 10.401
116 HB2 ALA 15 HB2 ALA 15 29.174 -4.002 11.039
117 HB3 ALA 15 HB3 ALA 15 30.727 -3.170 11.102
118 H ILE 16 HN ILE 16 31.594 -2.992 13.547
119 HA ILE 16 HA ILE 16 30.799 -5.527 14.754
120 HB ILE 16 HB ILE 16 33.321 -3.839 14.886
121 HG12 ILE 16 HG13 ILE 16 34.227 -6.092 13.938
122 HG13 ILE 16 HG12 ILE 16 32.538 -6.477 13.628
123 HG21 ILE 16 HG21 ILE 16 33.244 -4.782 17.068
124 HG22 ILE 16 HG22 ILE 16 34.276 -5.873 16.142
125 HG23 ILE 16 HG23 ILE 16 32.600 -6.311 16.470
126 HD11 ILE 16 HD11 ILE 16 33.937 -3.979 12.634
127 HD12 ILE 16 HD12 ILE 16 32.301 -4.500 12.226
128 HD13 ILE 16 HD13 ILE 16 33.687 -5.433 11.670
129 H HIS 17 HN HIS 17 31.007 -2.189 15.662
130 HA HIS 17 HA HIS 17 30.808 -2.665 18.518
131 HB2 HIS 17 HB3 HIS 17 31.177 -0.419 18.628
132 HB3 HIS 17 HB2 HIS 17 31.219 -0.401 16.878
133 HD1 HIS 17 HD1 HIS 17 29.157 0.541 15.639
134 HD2 HIS 17 HD2 HIS 17 28.664 0.321 19.767
135 HE1 HIS 17 HE1 HIS 17 27.025 1.793 16.163
136 HE2 HIS 17 HE2 HIS 17 26.718 1.690 18.683
137 H ARG 18 HN ARG 18 28.732 -3.107 15.942
138 HA ARG 18 HA ARG 18 26.263 -2.653 17.534
139 HB2 ARG 18 HB3 ARG 18 26.744 -3.366 14.639
140 HB3 ARG 18 HB2 ARG 18 25.144 -3.407 15.385
141 HG2 ARG 18 HG3 ARG 18 25.297 -1.067 15.988
142 HG3 ARG 18 HG2 ARG 18 26.965 -0.990 15.420
143 HD2 ARG 18 HD3 ARG 18 24.983 -0.162 13.861
144 HD3 ARG 18 HD2 ARG 18 26.347 -1.042 13.173
145 HE ARG 18 HE ARG 18 24.543 -3.035 13.837
146 HH11 ARG 18 HH11 ARG 18 22.977 -3.780 12.385
147 HH12 ARG 18 HH12 ARG 18 22.429 -2.737 11.116
148 HH21 ARG 18 HH21 ARG 18 24.476 -0.095 12.040
149 HH22 ARG 18 HH22 ARG 18 23.277 -0.651 10.920
150 H LEU 19 HN LEU 19 28.351 -5.152 16.322
151 HA LEU 19 HA LEU 19 26.601 -7.377 16.750
152 HB2 LEU 19 HB3 LEU 19 28.527 -7.962 15.556
153 HB3 LEU 19 HB2 LEU 19 29.567 -6.949 16.544
154 HG LEU 19 HG LEU 19 29.400 -8.589 18.399
155 HD11 LEU 19 HD11 LEU 19 27.943 -10.358 16.409
156 HD12 LEU 19 HD12 LEU 19 27.107 -9.457 17.669
157 HD13 LEU 19 HD13 LEU 19 28.273 -10.701 18.105
158 HD21 LEU 19 HD21 LEU 19 30.744 -10.338 17.344
159 HD22 LEU 19 HD22 LEU 19 31.191 -8.764 16.684
160 HD23 LEU 19 HD23 LEU 19 30.164 -9.853 15.750
161 H ILE 20 HN ILE 20 28.807 -5.561 18.833
162 HA ILE 20 HA ILE 20 28.396 -7.220 21.176
163 HB ILE 20 HB ILE 20 30.164 -5.930 21.854
164 HG12 ILE 20 HG13 ILE 20 28.258 -3.554 21.852
165 HG13 ILE 20 HG12 ILE 20 28.423 -4.701 23.181
166 HG21 ILE 20 HG21 ILE 20 30.491 -5.352 19.511
167 HG22 ILE 20 HG22 ILE 20 30.878 -3.963 20.523
168 HG23 ILE 20 HG23 ILE 20 29.343 -4.037 19.672
169 HD11 ILE 20 HD11 ILE 20 30.872 -4.092 23.265
170 HD12 ILE 20 HD12 ILE 20 29.782 -2.773 23.687
171 HD13 ILE 20 HD13 ILE 20 30.532 -2.821 22.092
172 H ARG 21 HN ARG 21 26.981 -4.117 20.137
173 HA ARG 21 HA ARG 21 25.193 -3.789 22.278
174 HB2 ARG 21 HB3 ARG 21 24.850 -3.085 19.353
175 HB3 ARG 21 HB2 ARG 21 23.763 -2.532 20.631
176 HG2 ARG 21 HG3 ARG 21 25.545 -1.366 21.749
177 HG3 ARG 21 HG2 ARG 21 26.755 -2.081 20.686
178 HD2 ARG 21 HD3 ARG 21 25.954 0.343 20.200
179 HD3 ARG 21 HD2 ARG 21 26.095 -0.780 18.852
180 HE ARG 21 HE ARG 21 23.437 -0.778 20.045
181 HH11 ARG 21 HH11 ARG 21 21.788 0.070 18.751
182 HH12 ARG 21 HH12 ARG 21 22.199 1.005 17.352
183 HH21 ARG 21 HH21 ARG 21 25.620 0.723 17.839
184 HH22 ARG 21 HH22 ARG 21 24.368 1.376 16.838
185 H ARG 22 HN ARG 22 24.857 -5.649 19.298
186 HA ARG 22 HA ARG 22 22.188 -6.603 19.830
187 HB2 ARG 22 HB3 ARG 22 24.481 -7.632 18.146
188 HB3 ARG 22 HB2 ARG 22 22.985 -8.552 18.306
189 HG2 ARG 22 HG3 ARG 22 21.699 -6.605 17.499
190 HG3 ARG 22 HG2 ARG 22 23.196 -5.688 17.330
191 HD2 ARG 22 HD3 ARG 22 22.372 -6.743 15.188
192 HD3 ARG 22 HD2 ARG 22 24.017 -7.191 15.639
193 HE ARG 22 HE ARG 22 22.249 -9.122 16.747
194 HH11 ARG 22 HH11 ARG 22 21.995 -11.104 15.684
195 HH12 ARG 22 HH12 ARG 22 22.407 -11.228 14.005
196 HH21 ARG 22 HH21 ARG 22 23.372 -7.909 13.725
197 HH22 ARG 22 HH22 ARG 22 23.187 -9.418 12.895
198 H ARG 23 HN ARG 23 25.286 -7.260 21.129
199 HA ARG 23 HA ARG 23 24.410 -9.813 22.395
200 HB2 ARG 23 HB3 ARG 23 26.716 -9.468 21.249
201 HB3 ARG 23 HB2 ARG 23 27.127 -8.515 22.671
202 HG2 ARG 23 HG3 ARG 23 27.839 -10.607 23.392
203 HG3 ARG 23 HG2 ARG 23 26.174 -10.653 23.967
204 HD2 ARG 23 HD3 ARG 23 25.517 -11.799 21.844
205 HD3 ARG 23 HD2 ARG 23 27.215 -11.825 21.369
206 HE ARG 23 HE ARG 23 26.800 -13.019 23.983
207 HH11 ARG 23 HH11 ARG 23 27.081 -15.260 24.102
208 HH12 ARG 23 HH12 ARG 23 27.095 -16.196 22.646
209 HH21 ARG 23 HH21 ARG 23 26.619 -13.462 20.568
210 HH22 ARG 23 HH22 ARG 23 26.833 -15.179 20.646
211 H ARG 24 HN ARG 24 23.246 -7.245 23.208
212 HA ARG 24 HA ARG 24 24.454 -6.156 25.527
213 HB2 ARG 24 HB3 ARG 24 21.985 -5.654 26.169
214 HB3 ARG 24 HB2 ARG 24 22.618 -4.947 24.683
215 HG2 ARG 24 HG3 ARG 24 21.528 -6.553 23.317
216 HG3 ARG 24 HG2 ARG 24 21.203 -7.616 24.687
217 HD2 ARG 24 HD3 ARG 24 20.045 -4.833 24.422
218 HD3 ARG 24 HD2 ARG 24 19.202 -6.292 23.902
219 HE ARG 24 HE ARG 24 19.634 -5.442 26.677
220 HH11 ARG 24 HH11 ARG 24 18.633 -6.738 28.233
221 HH12 ARG 24 HH12 ARG 24 18.010 -8.290 27.780
222 HH21 ARG 24 HH21 ARG 24 18.973 -8.000 24.460
223 HH22 ARG 24 HH22 ARG 24 18.204 -9.005 25.643
224 H ARG 25 HN ARG 25 25.342 -8.060 26.580
225 HA ARG 25 HA ARG 25 23.812 -10.252 27.539
226 HB2 ARG 25 HB3 ARG 25 25.648 -10.558 29.177
227 HB3 ARG 25 HB2 ARG 25 26.269 -10.245 27.555
228 HG2 ARG 25 HG3 ARG 25 26.388 -7.783 28.215
229 HG3 ARG 25 HG2 ARG 25 26.085 -8.308 29.871
230 HD2 ARG 25 HD3 ARG 25 28.348 -9.373 28.162
231 HD3 ARG 25 HD2 ARG 25 28.528 -8.047 29.309
232 HE ARG 25 HE ARG 25 28.245 -10.880 29.988
233 HH11 ARG 25 HH11 ARG 25 28.394 -11.349 32.194
234 HH12 ARG 25 HH12 ARG 25 28.279 -10.063 33.349
235 HH21 ARG 25 HH21 ARG 25 27.870 -7.591 30.952
236 HH22 ARG 25 HH22 ARG 25 27.981 -7.936 32.645
Start of MODEL 3
1 H1 PHE 1 H1 PHE 1 45.681 5.867 16.133
2 H2 PHE 1 H2 PHE 1 46.718 6.911 16.983
3 H3 PHE 1 H3 PHE 1 46.104 7.368 15.466
4 HA PHE 1 HA PHE 1 43.813 7.009 16.678
5 HB2 PHE 1 HB3 PHE 1 45.825 7.664 18.846
6 HB3 PHE 1 HB2 PHE 1 44.089 7.916 19.023
7 HD1 PHE 1 HD1 PHE 1 46.695 5.332 18.374
8 HD2 PHE 1 HD2 PHE 1 42.622 6.101 19.507
9 HE1 PHE 1 HE1 PHE 1 46.411 2.944 18.982
10 HE2 PHE 1 HE2 PHE 1 42.340 3.712 20.115
11 HZ PHE 1 HZ PHE 1 44.234 2.134 19.851
12 H ILE 2 HN ILE 2 45.066 8.629 14.753
13 HA ILE 2 HA ILE 2 45.181 11.369 15.857
14 HB ILE 2 HB ILE 2 45.447 10.424 12.984
15 HG12 ILE 2 HG13 ILE 2 47.518 10.955 15.133
16 HG13 ILE 2 HG12 ILE 2 47.176 9.409 14.356
17 HG21 ILE 2 HG21 ILE 2 46.255 12.590 12.486
18 HG22 ILE 2 HG22 ILE 2 46.522 12.981 14.183
19 HG23 ILE 2 HG23 ILE 2 44.887 12.912 13.544
20 HD11 ILE 2 HD11 ILE 2 47.747 10.583 12.142
21 HD12 ILE 2 HD12 ILE 2 49.093 10.246 13.229
22 HD13 ILE 2 HD13 ILE 2 48.424 11.874 13.134
23 H HIS 3 HN HIS 3 43.781 10.918 12.701
24 HA HIS 3 HA HIS 3 41.029 11.256 13.670
25 HB2 HIS 3 HB3 HIS 3 40.706 13.391 12.472
26 HB3 HIS 3 HB2 HIS 3 41.886 13.546 13.769
27 HD1 HIS 3 HD1 HIS 3 42.035 15.590 11.566
28 HD2 HIS 3 HD2 HIS 3 44.128 11.984 11.357
29 HE1 HIS 3 HE1 HIS 3 43.957 15.958 9.959
30 HE2 HIS 3 HE2 HIS 3 45.215 13.766 9.806
31 H HIS 4 HN HIS 4 43.292 10.444 11.259
32 HA HIS 4 HA HIS 4 41.151 10.041 9.210
33 HB2 HIS 4 HB3 HIS 4 42.887 9.925 7.573
34 HB3 HIS 4 HB2 HIS 4 43.288 11.295 8.606
35 HD1 HIS 4 HD1 HIS 4 45.637 11.296 9.453
36 HD2 HIS 4 HD2 HIS 4 44.315 7.449 8.557
37 HE1 HIS 4 HE1 HIS 4 47.610 9.755 9.850
38 HE2 HIS 4 HE2 HIS 4 46.818 7.406 9.306
39 H ILE 5 HN ILE 5 42.883 8.456 11.612
40 HA ILE 5 HA ILE 5 42.830 5.822 10.278
41 HB ILE 5 HB ILE 5 44.054 5.007 12.128
42 HG12 ILE 5 HG13 ILE 5 42.644 5.783 13.974
43 HG13 ILE 5 HG12 ILE 5 44.305 6.279 14.265
44 HG21 ILE 5 HG21 ILE 5 45.353 6.586 10.775
45 HG22 ILE 5 HG22 ILE 5 45.859 6.663 12.460
46 HG23 ILE 5 HG23 ILE 5 44.823 7.924 11.795
47 HD11 ILE 5 HD11 ILE 5 42.884 8.159 14.764
48 HD12 ILE 5 HD12 ILE 5 42.055 8.007 13.222
49 HD13 ILE 5 HD13 ILE 5 43.738 8.523 13.267
50 H ILE 6 HN ILE 6 40.584 7.776 11.676
51 HA ILE 6 HA ILE 6 39.159 5.642 13.150
52 HB ILE 6 HB ILE 6 37.428 7.707 13.258
53 HG12 ILE 6 HG13 ILE 6 40.066 9.168 13.083
54 HG13 ILE 6 HG12 ILE 6 39.056 8.967 11.658
55 HG21 ILE 6 HG21 ILE 6 39.994 7.372 14.826
56 HG22 ILE 6 HG22 ILE 6 38.393 6.764 15.241
57 HG23 ILE 6 HG23 ILE 6 38.719 8.497 15.295
58 HD11 ILE 6 HD11 ILE 6 38.610 11.107 12.837
59 HD12 ILE 6 HD12 ILE 6 38.133 10.192 14.267
60 HD13 ILE 6 HD13 ILE 6 37.189 10.065 12.783
61 H GLY 7 HN GLY 7 38.176 7.955 10.590
62 HA2 GLY 7 HA3 GLY 7 35.938 6.421 9.747
63 HA3 GLY 7 HA2 GLY 7 36.761 7.625 8.750
64 H GLY 8 HN GLY 8 39.039 5.499 9.748
65 HA2 GLY 8 HA3 GLY 8 38.971 4.027 7.153
66 HA3 GLY 8 HA2 GLY 8 40.384 4.201 8.202
67 H LEU 9 HN LEU 9 38.985 3.591 10.638
68 HA LEU 9 HA LEU 9 38.418 0.667 10.287
69 HB2 LEU 9 HB3 LEU 9 40.508 0.830 11.429
70 HB3 LEU 9 HB2 LEU 9 39.973 2.211 12.381
71 HG LEU 9 HG LEU 9 38.442 0.798 13.642
72 HD11 LEU 9 HD11 LEU 9 38.630 -1.734 13.230
73 HD12 LEU 9 HD12 LEU 9 39.377 -1.317 11.688
74 HD13 LEU 9 HD13 LEU 9 37.723 -0.818 12.030
75 HD21 LEU 9 HD21 LEU 9 40.088 -0.587 14.805
76 HD22 LEU 9 HD22 LEU 9 40.833 0.943 14.340
77 HD23 LEU 9 HD23 LEU 9 41.165 -0.518 13.409
78 H PHE 10 HN PHE 10 37.853 3.591 12.217
79 HA PHE 10 HA PHE 10 35.814 2.834 13.912
80 HB2 PHE 10 HB3 PHE 10 36.899 5.153 13.451
81 HB3 PHE 10 HB2 PHE 10 35.603 5.366 12.276
82 HD1 PHE 10 HD1 PHE 10 33.388 5.883 12.973
83 HD2 PHE 10 HD2 PHE 10 36.320 4.656 15.859
84 HE1 PHE 10 HE1 PHE 10 31.836 6.499 14.810
85 HE2 PHE 10 HE2 PHE 10 34.770 5.273 17.698
86 HZ PHE 10 HZ PHE 10 32.528 6.194 17.173
87 H SER 11 HN SER 11 35.628 3.286 10.419
88 HA SER 11 HA SER 11 32.795 3.328 10.150
89 HB2 SER 11 HB3 SER 11 33.185 2.527 7.850
90 HB3 SER 11 HB2 SER 11 34.346 3.788 8.270
91 HG SER 11 HG SER 11 34.986 1.112 8.800
92 H ALA 12 HN ALA 12 35.093 0.628 10.359
93 HA ALA 12 HA ALA 12 32.879 -1.332 10.314
94 HB1 ALA 12 HB1 ALA 12 34.650 -3.017 10.530
95 HB2 ALA 12 HB2 ALA 12 35.847 -1.748 10.780
96 HB3 ALA 12 HB3 ALA 12 35.038 -1.901 9.221
97 H GLY 13 HN GLY 13 35.105 0.225 12.548
98 HA2 GLY 13 HA3 GLY 13 34.800 -1.363 14.837
99 HA3 GLY 13 HA2 GLY 13 34.945 0.400 14.892
100 H LYS 14 HN LYS 14 32.628 1.123 13.531
101 HA LYS 14 HA LYS 14 30.640 1.039 15.575
102 HB2 LYS 14 HB3 LYS 14 30.523 1.643 12.615
103 HB3 LYS 14 HB2 LYS 14 29.077 1.703 13.626
104 HG2 LYS 14 HG3 LYS 14 29.958 3.446 14.977
105 HG3 LYS 14 HG2 LYS 14 31.598 3.197 14.367
106 HD2 LYS 14 HD3 LYS 14 30.508 5.196 13.361
107 HD3 LYS 14 HD2 LYS 14 30.932 3.980 12.155
108 HE2 LYS 14 HE3 LYS 14 28.562 5.032 12.030
109 HE3 LYS 14 HE2 LYS 14 28.695 3.279 11.897
110 HZ1 LYS 14 HZ1 LYS 14 27.053 4.462 13.587
111 HZ2 LYS 14 HZ2 LYS 14 28.427 4.377 14.582
112 HZ3 LYS 14 HZ3 LYS 14 27.767 2.960 13.915
113 H ALA 15 HN ALA 15 30.952 -0.813 12.554
114 HA ALA 15 HA ALA 15 28.634 -2.428 12.821
115 HB1 ALA 15 HB1 ALA 15 31.315 -3.139 11.610
116 HB2 ALA 15 HB2 ALA 15 29.966 -2.388 10.762
117 HB3 ALA 15 HB3 ALA 15 29.822 -4.039 11.366
118 H ILE 16 HN ILE 16 31.929 -2.829 14.131
119 HA ILE 16 HA ILE 16 31.241 -5.437 15.259
120 HB ILE 16 HB ILE 16 33.566 -3.527 15.688
121 HG12 ILE 16 HG13 ILE 16 34.787 -5.662 14.829
122 HG13 ILE 16 HG12 ILE 16 33.191 -6.204 14.325
123 HG21 ILE 16 HG21 ILE 16 33.309 -4.528 17.834
124 HG22 ILE 16 HG22 ILE 16 34.556 -5.480 17.030
125 HG23 ILE 16 HG23 ILE 16 32.909 -6.099 17.140
126 HD11 ILE 16 HD11 ILE 16 32.921 -4.269 12.895
127 HD12 ILE 16 HD12 ILE 16 34.480 -5.005 12.532
128 HD13 ILE 16 HD13 ILE 16 34.405 -3.550 13.521
129 H HIS 17 HN HIS 17 31.096 -2.091 16.169
130 HA HIS 17 HA HIS 17 30.575 -2.600 18.982
131 HB2 HIS 17 HB3 HIS 17 30.815 -0.338 19.125
132 HB3 HIS 17 HB2 HIS 17 31.037 -0.302 17.388
133 HD1 HIS 17 HD1 HIS 17 29.051 0.518 15.947
134 HD2 HIS 17 HD2 HIS 17 28.153 0.236 20.002
135 HE1 HIS 17 HE1 HIS 17 26.823 1.665 16.253
136 HE2 HIS 17 HE2 HIS 17 26.259 1.514 18.727
137 H ARG 18 HN ARG 18 28.865 -3.079 16.135
138 HA ARG 18 HA ARG 18 26.196 -2.812 17.411
139 HB2 ARG 18 HB3 ARG 18 27.122 -3.365 14.590
140 HB3 ARG 18 HB2 ARG 18 25.441 -3.594 15.086
141 HG2 ARG 18 HG3 ARG 18 25.264 -1.285 15.778
142 HG3 ARG 18 HG2 ARG 18 26.984 -1.024 15.502
143 HD2 ARG 18 HD3 ARG 18 25.285 -0.251 13.670
144 HD3 ARG 18 HD2 ARG 18 26.752 -1.091 13.168
145 HE ARG 18 HE ARG 18 24.755 -3.054 13.590
146 HH11 ARG 18 HH11 ARG 18 23.639 -3.885 11.806
147 HH12 ARG 18 HH12 ARG 18 23.570 -2.964 10.340
148 HH21 ARG 18 HH21 ARG 18 25.450 -0.333 11.594
149 HH22 ARG 18 HH22 ARG 18 24.596 -0.953 10.220
150 H LEU 19 HN LEU 19 28.597 -5.136 16.550
151 HA LEU 19 HA LEU 19 26.921 -7.475 16.620
152 HB2 LEU 19 HB3 LEU 19 29.013 -7.932 15.682
153 HB3 LEU 19 HB2 LEU 19 29.857 -6.872 16.798
154 HG LEU 19 HG LEU 19 29.566 -8.553 18.605
155 HD11 LEU 19 HD11 LEU 19 28.532 -10.408 16.440
156 HD12 LEU 19 HD12 LEU 19 27.449 -9.554 17.536
157 HD13 LEU 19 HD13 LEU 19 28.613 -10.712 18.174
158 HD21 LEU 19 HD21 LEU 19 31.064 -10.296 17.576
159 HD22 LEU 19 HD22 LEU 19 31.605 -8.639 17.314
160 HD23 LEU 19 HD23 LEU 19 30.803 -9.520 16.014
161 H ILE 20 HN ILE 20 28.698 -5.588 19.018
162 HA ILE 20 HA ILE 20 28.078 -7.346 21.250
163 HB ILE 20 HB ILE 20 29.660 -5.990 22.202
164 HG12 ILE 20 HG13 ILE 20 27.657 -3.708 21.965
165 HG13 ILE 20 HG12 ILE 20 27.701 -4.868 23.291
166 HG21 ILE 20 HG21 ILE 20 29.082 -4.057 19.974
167 HG22 ILE 20 HG22 ILE 20 30.274 -5.343 19.922
168 HG23 ILE 20 HG23 ILE 20 30.488 -3.986 21.023
169 HD11 ILE 20 HD11 ILE 20 29.809 -2.837 22.525
170 HD12 ILE 20 HD12 ILE 20 30.097 -4.130 23.687
171 HD13 ILE 20 HD13 ILE 20 28.875 -2.903 24.019
172 H ARG 21 HN ARG 21 26.662 -4.292 20.086
173 HA ARG 21 HA ARG 21 24.584 -4.117 21.974
174 HB2 ARG 21 HB3 ARG 21 24.617 -3.304 19.059
175 HB3 ARG 21 HB2 ARG 21 23.346 -2.846 20.196
176 HG2 ARG 21 HG3 ARG 21 24.926 -1.674 21.596
177 HG3 ARG 21 HG2 ARG 21 26.283 -2.269 20.642
178 HD2 ARG 21 HD3 ARG 21 25.567 0.101 20.122
179 HD3 ARG 21 HD2 ARG 21 25.615 -0.986 18.737
180 HE ARG 21 HE ARG 21 22.986 -1.032 19.854
181 HH11 ARG 21 HH11 ARG 21 21.360 0.118 18.788
182 HH12 ARG 21 HH12 ARG 21 21.792 1.386 17.688
183 HH21 ARG 21 HH21 ARG 21 25.206 0.986 18.156
184 HH22 ARG 21 HH22 ARG 21 23.970 1.878 17.332
185 H ARG 22 HN ARG 22 24.792 -5.893 18.940
186 HA ARG 22 HA ARG 22 22.095 -6.948 19.079
187 HB2 ARG 22 HB3 ARG 22 24.568 -7.796 17.551
188 HB3 ARG 22 HB2 ARG 22 23.028 -8.644 17.415
189 HG2 ARG 22 HG3 ARG 22 21.929 -6.725 16.529
190 HG3 ARG 22 HG2 ARG 22 23.259 -5.661 16.989
191 HD2 ARG 22 HD3 ARG 22 23.376 -6.096 14.595
192 HD3 ARG 22 HD2 ARG 22 24.736 -6.886 15.394
193 HE ARG 22 HE ARG 22 22.477 -8.677 15.153
194 HH11 ARG 22 HH11 ARG 22 22.669 -10.348 13.647
195 HH12 ARG 22 HH12 ARG 22 23.887 -10.255 12.420
196 HH21 ARG 22 HH21 ARG 22 25.111 -7.194 13.494
197 HH22 ARG 22 HH22 ARG 22 25.268 -8.468 12.332
198 H ARG 23 HN ARG 23 24.998 -7.556 20.736
199 HA ARG 23 HA ARG 23 24.155 -10.311 21.536
200 HB2 ARG 23 HB3 ARG 23 26.555 -9.724 20.721
201 HB3 ARG 23 HB2 ARG 23 26.754 -8.980 22.305
202 HG2 ARG 23 HG3 ARG 23 27.451 -11.126 22.844
203 HG3 ARG 23 HG2 ARG 23 25.724 -11.338 23.123
204 HD2 ARG 23 HD3 ARG 23 25.626 -11.996 20.605
205 HD3 ARG 23 HD2 ARG 23 27.370 -12.210 20.753
206 HE ARG 23 HE ARG 23 26.369 -13.644 22.888
207 HH11 ARG 23 HH11 ARG 23 25.770 -15.818 22.751
208 HH12 ARG 23 HH12 ARG 23 25.311 -16.481 21.218
209 HH21 ARG 23 HH21 ARG 23 25.777 -13.509 19.494
210 HH22 ARG 23 HH22 ARG 23 25.316 -15.175 19.374
211 H ARG 24 HN ARG 24 22.904 -7.748 22.549
212 HA ARG 24 HA ARG 24 23.826 -7.196 25.191
213 HB2 ARG 24 HB3 ARG 24 21.184 -6.901 23.771
214 HB3 ARG 24 HB2 ARG 24 21.239 -6.661 25.518
215 HG2 ARG 24 HG3 ARG 24 22.967 -4.945 25.258
216 HG3 ARG 24 HG2 ARG 24 22.999 -5.212 23.517
217 HD2 ARG 24 HD3 ARG 24 20.446 -4.457 24.942
218 HD3 ARG 24 HD2 ARG 24 21.586 -3.232 24.385
219 HE ARG 24 HE ARG 24 21.178 -4.822 22.150
220 HH11 ARG 24 HH11 ARG 24 19.547 -4.390 20.642
221 HH12 ARG 24 HH12 ARG 24 18.144 -3.502 21.133
222 HH21 ARG 24 HH21 ARG 24 19.210 -3.114 24.408
223 HH22 ARG 24 HH22 ARG 24 17.952 -2.781 23.263
224 H ARG 25 HN ARG 25 24.412 -9.349 25.928
225 HA ARG 25 HA ARG 25 22.621 -11.527 26.165
226 HB2 ARG 25 HB3 ARG 25 24.992 -10.734 27.878
227 HB3 ARG 25 HB2 ARG 25 24.158 -12.283 28.010
228 HG2 ARG 25 HG3 ARG 25 24.605 -12.649 25.557
229 HG3 ARG 25 HG2 ARG 25 25.604 -11.195 25.579
230 HD2 ARG 25 HD3 ARG 25 26.068 -13.813 26.998
231 HD3 ARG 25 HD2 ARG 25 27.161 -12.928 25.936
232 HE ARG 25 HE ARG 25 26.788 -12.451 28.792
233 HH11 ARG 25 HH11 ARG 25 28.057 -10.801 29.675
234 HH12 ARG 25 HH12 ARG 25 28.876 -9.699 28.619
235 HH21 ARG 25 HH21 ARG 25 27.684 -11.176 25.717
236 HH22 ARG 25 HH22 ARG 25 28.662 -9.908 26.378
Start of MODEL 4
1 H1 PHE 1 H1 PHE 1 44.872 5.931 17.042
2 H2 PHE 1 H2 PHE 1 45.778 6.930 18.076
3 H3 PHE 1 H3 PHE 1 45.370 7.466 16.517
4 HA PHE 1 HA PHE 1 42.940 6.986 17.446
5 HB2 PHE 1 HB3 PHE 1 43.029 8.033 19.811
6 HB3 PHE 1 HB2 PHE 1 43.510 6.343 19.655
7 HD1 PHE 1 HD1 PHE 1 45.721 5.635 20.179
8 HD2 PHE 1 HD2 PHE 1 44.830 9.826 19.857
9 HE1 PHE 1 HE1 PHE 1 47.958 6.185 21.098
10 HE2 PHE 1 HE2 PHE 1 47.066 10.372 20.772
11 HZ PHE 1 HZ PHE 1 48.630 8.553 21.394
12 H ILE 2 HN ILE 2 44.714 8.690 15.798
13 HA ILE 2 HA ILE 2 44.457 11.404 16.816
14 HB ILE 2 HB ILE 2 45.035 10.462 13.989
15 HG12 ILE 2 HG13 ILE 2 46.967 11.248 16.189
16 HG13 ILE 2 HG12 ILE 2 46.601 9.580 15.741
17 HG21 ILE 2 HG21 ILE 2 45.742 12.649 13.512
18 HG22 ILE 2 HG22 ILE 2 45.943 13.065 15.213
19 HG23 ILE 2 HG23 ILE 2 44.332 12.951 14.522
20 HD11 ILE 2 HD11 ILE 2 48.602 10.207 14.554
21 HD12 ILE 2 HD12 ILE 2 47.867 11.713 14.002
22 HD13 ILE 2 HD13 ILE 2 47.289 10.169 13.376
23 H HIS 3 HN HIS 3 43.384 10.908 13.536
24 HA HIS 3 HA HIS 3 40.544 11.089 14.223
25 HB2 HIS 3 HB3 HIS 3 40.215 13.272 13.137
26 HB3 HIS 3 HB2 HIS 3 41.288 13.412 14.527
27 HD1 HIS 3 HD1 HIS 3 41.476 15.558 12.395
28 HD2 HIS 3 HD2 HIS 3 43.806 12.096 12.282
29 HE1 HIS 3 HE1 HIS 3 43.498 16.089 10.968
30 HE2 HIS 3 HE2 HIS 3 44.903 13.984 10.870
31 H HIS 4 HN HIS 4 43.077 10.524 12.027
32 HA HIS 4 HA HIS 4 41.171 10.110 9.755
33 HB2 HIS 4 HB3 HIS 4 43.063 10.224 8.288
34 HB3 HIS 4 HB2 HIS 4 43.214 11.577 9.406
35 HD1 HIS 4 HD1 HIS 4 45.453 11.771 10.497
36 HD2 HIS 4 HD2 HIS 4 44.630 7.862 9.317
37 HE1 HIS 4 HE1 HIS 4 47.523 10.411 11.043
38 HE2 HIS 4 HE2 HIS 4 47.034 8.026 10.327
39 H ILE 5 HN ILE 5 42.927 8.504 12.178
40 HA ILE 5 HA ILE 5 43.176 5.990 10.667
41 HB ILE 5 HB ILE 5 44.284 5.115 12.562
42 HG12 ILE 5 HG13 ILE 5 42.655 5.621 14.311
43 HG13 ILE 5 HG12 ILE 5 44.230 6.228 14.801
44 HG21 ILE 5 HG21 ILE 5 44.835 8.098 12.512
45 HG22 ILE 5 HG22 ILE 5 45.580 6.881 11.475
46 HG23 ILE 5 HG23 ILE 5 45.900 6.880 13.208
47 HD11 ILE 5 HD11 ILE 5 41.926 7.829 13.688
48 HD12 ILE 5 HD12 ILE 5 43.545 8.488 13.882
49 HD13 ILE 5 HD13 ILE 5 42.635 7.951 15.291
50 H ILE 6 HN ILE 6 40.656 7.642 11.945
51 HA ILE 6 HA ILE 6 39.244 5.295 13.087
52 HB ILE 6 HB ILE 6 37.375 7.249 13.166
53 HG12 ILE 6 HG13 ILE 6 39.894 8.875 13.507
54 HG13 ILE 6 HG12 ILE 6 39.157 8.727 11.918
55 HG21 ILE 6 HG21 ILE 6 39.744 7.065 15.046
56 HG22 ILE 6 HG22 ILE 6 38.298 6.056 15.108
57 HG23 ILE 6 HG23 ILE 6 38.179 7.786 15.429
58 HD11 ILE 6 HD11 ILE 6 37.586 9.565 14.357
59 HD12 ILE 6 HD12 ILE 6 37.121 9.717 12.661
60 HD13 ILE 6 HD13 ILE 6 38.410 10.726 13.317
61 H GLY 7 HN GLY 7 38.572 7.755 10.572
62 HA2 GLY 7 HA3 GLY 7 36.424 6.342 9.368
63 HA3 GLY 7 HA2 GLY 7 37.431 7.531 8.533
64 H GLY 8 HN GLY 8 39.493 5.335 9.751
65 HA2 GLY 8 HA3 GLY 8 39.821 3.991 7.137
66 HA3 GLY 8 HA2 GLY 8 40.959 3.928 8.489
67 H LEU 9 HN LEU 9 39.043 3.236 10.500
68 HA LEU 9 HA LEU 9 38.085 0.539 9.625
69 HB2 LEU 9 HB3 LEU 9 38.775 -0.086 12.117
70 HB3 LEU 9 HB2 LEU 9 39.955 -0.173 10.813
71 HG LEU 9 HG LEU 9 39.665 2.468 12.206
72 HD11 LEU 9 HD11 LEU 9 40.947 0.021 13.445
73 HD12 LEU 9 HD12 LEU 9 39.703 1.056 14.145
74 HD13 LEU 9 HD13 LEU 9 41.343 1.668 13.936
75 HD21 LEU 9 HD21 LEU 9 42.142 2.460 11.878
76 HD22 LEU 9 HD22 LEU 9 41.271 2.224 10.365
77 HD23 LEU 9 HD23 LEU 9 42.022 0.850 11.172
78 H PHE 10 HN PHE 10 37.807 3.308 11.784
79 HA PHE 10 HA PHE 10 35.759 2.649 13.497
80 HB2 PHE 10 HB3 PHE 10 36.914 4.894 13.149
81 HB3 PHE 10 HB2 PHE 10 35.758 5.182 11.845
82 HD1 PHE 10 HD1 PHE 10 35.827 4.028 15.414
83 HD2 PHE 10 HD2 PHE 10 33.746 6.246 12.382
84 HE1 PHE 10 HE1 PHE 10 34.138 4.738 17.092
85 HE2 PHE 10 HE2 PHE 10 32.057 6.958 14.057
86 HZ PHE 10 HZ PHE 10 32.255 6.203 16.412
87 H SER 11 HN SER 11 35.548 3.050 10.012
88 HA SER 11 HA SER 11 32.718 3.280 9.767
89 HB2 SER 11 HB3 SER 11 33.031 2.491 7.471
90 HB3 SER 11 HB2 SER 11 34.330 3.611 7.886
91 HG SER 11 HG SER 11 34.462 0.775 8.056
92 H ALA 12 HN ALA 12 34.815 0.387 9.767
93 HA ALA 12 HA ALA 12 32.457 -1.380 9.860
94 HB1 ALA 12 HB1 ALA 12 35.427 -1.970 10.042
95 HB2 ALA 12 HB2 ALA 12 34.404 -2.176 8.619
96 HB3 ALA 12 HB3 ALA 12 34.162 -3.198 10.036
97 H GLY 13 HN GLY 13 34.880 -0.006 11.985
98 HA2 GLY 13 HA3 GLY 13 34.616 -1.631 14.258
99 HA3 GLY 13 HA2 GLY 13 34.880 0.119 14.334
100 H LYS 14 HN LYS 14 32.562 1.014 13.103
101 HA LYS 14 HA LYS 14 30.671 1.062 15.230
102 HB2 LYS 14 HB3 LYS 14 30.426 1.628 12.269
103 HB3 LYS 14 HB2 LYS 14 29.055 1.807 13.366
104 HG2 LYS 14 HG3 LYS 14 30.125 3.511 14.615
105 HG3 LYS 14 HG2 LYS 14 31.712 3.126 13.940
106 HD2 LYS 14 HD3 LYS 14 30.703 5.193 12.953
107 HD3 LYS 14 HD2 LYS 14 31.032 3.942 11.754
108 HE2 LYS 14 HE3 LYS 14 28.741 3.327 11.608
109 HE3 LYS 14 HE2 LYS 14 28.332 4.199 13.085
110 HZ1 LYS 14 HZ1 LYS 14 29.223 6.221 11.752
111 HZ2 LYS 14 HZ2 LYS 14 27.643 5.659 11.480
112 HZ3 LYS 14 HZ3 LYS 14 28.890 5.251 10.399
113 H ALA 15 HN ALA 15 30.678 -0.822 12.207
114 HA ALA 15 HA ALA 15 28.294 -2.306 12.644
115 HB1 ALA 15 HB1 ALA 15 29.207 -3.917 11.064
116 HB2 ALA 15 HB2 ALA 15 30.831 -3.273 11.303
117 HB3 ALA 15 HB3 ALA 15 29.600 -2.288 10.511
118 H ILE 16 HN ILE 16 31.641 -2.872 13.703
119 HA ILE 16 HA ILE 16 30.933 -5.439 14.900
120 HB ILE 16 HB ILE 16 33.368 -3.653 14.901
121 HG12 ILE 16 HG13 ILE 16 34.440 -5.816 14.203
122 HG13 ILE 16 HG12 ILE 16 32.848 -6.565 14.242
123 HG21 ILE 16 HG21 ILE 16 34.448 -5.396 16.448
124 HG22 ILE 16 HG22 ILE 16 32.805 -5.883 16.867
125 HG23 ILE 16 HG23 ILE 16 33.352 -4.242 17.211
126 HD11 ILE 16 HD11 ILE 16 33.485 -5.823 11.956
127 HD12 ILE 16 HD12 ILE 16 33.594 -4.167 12.547
128 HD13 ILE 16 HD13 ILE 16 32.040 -5.001 12.541
129 H HIS 17 HN HIS 17 31.022 -2.090 15.803
130 HA HIS 17 HA HIS 17 30.735 -2.560 18.650
131 HB2 HIS 17 HB3 HIS 17 31.038 -0.307 18.761
132 HB3 HIS 17 HB2 HIS 17 31.133 -0.293 17.014
133 HD1 HIS 17 HD1 HIS 17 29.076 0.577 15.707
134 HD2 HIS 17 HD2 HIS 17 28.468 0.376 19.823
135 HE1 HIS 17 HE1 HIS 17 26.912 1.801 16.163
136 HE2 HIS 17 HE2 HIS 17 26.537 1.712 18.671
137 H ARG 18 HN ARG 18 28.747 -3.101 16.034
138 HA ARG 18 HA ARG 18 26.225 -2.682 17.552
139 HB2 ARG 18 HB3 ARG 18 26.807 -3.426 14.684
140 HB3 ARG 18 HB2 ARG 18 25.189 -3.524 15.385
141 HG2 ARG 18 HG3 ARG 18 25.250 -1.165 15.971
142 HG3 ARG 18 HG2 ARG 18 26.912 -1.034 15.403
143 HD2 ARG 18 HD3 ARG 18 24.947 -0.287 13.822
144 HD3 ARG 18 HD2 ARG 18 26.297 -1.200 13.150
145 HE ARG 18 HE ARG 18 24.552 -3.187 13.843
146 HH11 ARG 18 HH11 ARG 18 22.874 -3.927 12.521
147 HH12 ARG 18 HH12 ARG 18 22.188 -2.864 11.338
148 HH21 ARG 18 HH21 ARG 18 24.251 -0.198 12.153
149 HH22 ARG 18 HH22 ARG 18 22.966 -0.752 11.131
150 H LEU 19 HN LEU 19 28.373 -5.158 16.362
151 HA LEU 19 HA LEU 19 26.694 -7.420 16.812
152 HB2 LEU 19 HB3 LEU 19 28.657 -7.965 15.660
153 HB3 LEU 19 HB2 LEU 19 29.650 -6.908 16.653
154 HG LEU 19 HG LEU 19 29.496 -8.529 18.528
155 HD11 LEU 19 HD11 LEU 19 28.446 -10.681 18.237
156 HD12 LEU 19 HD12 LEU 19 28.141 -10.367 16.530
157 HD13 LEU 19 HD13 LEU 19 27.249 -9.479 17.761
158 HD21 LEU 19 HD21 LEU 19 30.873 -10.294 17.479
159 HD22 LEU 19 HD22 LEU 19 31.349 -8.691 16.922
160 HD23 LEU 19 HD23 LEU 19 30.372 -9.730 15.885
161 H ILE 20 HN ILE 20 28.806 -5.518 18.920
162 HA ILE 20 HA ILE 20 28.401 -7.179 21.260
163 HB ILE 20 HB ILE 20 30.111 -5.828 21.963
164 HG12 ILE 20 HG13 ILE 20 28.120 -3.524 21.937
165 HG13 ILE 20 HG12 ILE 20 28.303 -4.669 23.265
166 HG21 ILE 20 HG21 ILE 20 30.450 -5.228 19.626
167 HG22 ILE 20 HG22 ILE 20 30.775 -3.834 20.650
168 HG23 ILE 20 HG23 ILE 20 29.256 -3.956 19.778
169 HD11 ILE 20 HD11 ILE 20 29.595 -2.735 23.834
170 HD12 ILE 20 HD12 ILE 20 30.326 -2.673 22.230
171 HD13 ILE 20 HD13 ILE 20 30.750 -3.974 23.343
172 H ARG 21 HN ARG 21 26.902 -4.137 20.171
173 HA ARG 21 HA ARG 21 25.068 -3.812 22.264
174 HB2 ARG 21 HB3 ARG 21 24.771 -3.220 19.310
175 HB3 ARG 21 HB2 ARG 21 23.593 -2.708 20.520
176 HG2 ARG 21 HG3 ARG 21 25.286 -1.434 21.706
177 HG3 ARG 21 HG2 ARG 21 26.542 -2.031 20.625
178 HD2 ARG 21 HD3 ARG 21 25.997 0.133 19.817
179 HD3 ARG 21 HD2 ARG 21 25.198 -0.988 18.723
180 HE ARG 21 HE ARG 21 23.087 -0.320 19.609
181 HH11 ARG 21 HH11 ARG 21 21.827 1.180 20.727
182 HH12 ARG 21 HH12 ARG 21 22.579 2.256 21.857
183 HH21 ARG 21 HH21 ARG 21 25.768 1.002 21.345
184 HH22 ARG 21 HH22 ARG 21 24.805 2.159 22.201
185 H ARG 22 HN ARG 22 24.859 -5.830 19.374
186 HA ARG 22 HA ARG 22 22.210 -6.840 19.976
187 HB2 ARG 22 HB3 ARG 22 24.458 -7.819 18.205
188 HB3 ARG 22 HB2 ARG 22 22.933 -8.693 18.363
189 HG2 ARG 22 HG3 ARG 22 21.679 -6.865 17.483
190 HG3 ARG 22 HG2 ARG 22 23.043 -5.759 17.642
191 HD2 ARG 22 HD3 ARG 22 23.189 -8.205 15.880
192 HD3 ARG 22 HD2 ARG 22 22.556 -6.671 15.289
193 HE ARG 22 HE ARG 22 25.167 -6.425 16.567
194 HH11 ARG 22 HH11 ARG 22 26.864 -5.855 15.175
195 HH12 ARG 22 HH12 ARG 22 26.635 -5.967 13.464
196 HH21 ARG 22 HH21 ARG 22 23.373 -7.117 13.708
197 HH22 ARG 22 HH22 ARG 22 24.660 -6.687 12.632
198 H ARG 23 HN ARG 23 25.362 -7.416 21.183
199 HA ARG 23 HA ARG 23 24.593 -10.043 22.378
200 HB2 ARG 23 HB3 ARG 23 26.855 -9.611 21.166
201 HB3 ARG 23 HB2 ARG 23 27.293 -8.709 22.613
202 HG2 ARG 23 HG3 ARG 23 28.040 -10.784 23.303
203 HG3 ARG 23 HG2 ARG 23 26.361 -10.951 23.813
204 HD2 ARG 23 HD3 ARG 23 25.904 -11.921 21.489
205 HD3 ARG 23 HD2 ARG 23 27.654 -12.012 21.292
206 HE ARG 23 HE ARG 23 26.768 -13.252 23.765
207 HH11 ARG 23 HH11 ARG 23 26.936 -15.506 23.858
208 HH12 ARG 23 HH12 ARG 23 27.157 -16.405 22.393
209 HH21 ARG 23 HH21 ARG 23 27.149 -13.598 20.357
210 HH22 ARG 23 HH22 ARG 23 27.277 -15.324 20.411
211 H ARG 24 HN ARG 24 23.519 -7.401 23.284
212 HA ARG 24 HA ARG 24 24.819 -6.510 25.640
213 HB2 ARG 24 HB3 ARG 24 22.428 -5.839 26.358
214 HB3 ARG 24 HB2 ARG 24 23.066 -5.125 24.880
215 HG2 ARG 24 HG3 ARG 24 21.883 -6.871 23.554
216 HG3 ARG 24 HG2 ARG 24 21.199 -7.511 25.046
217 HD2 ARG 24 HD3 ARG 24 19.521 -6.074 24.205
218 HD3 ARG 24 HD2 ARG 24 20.324 -5.115 25.449
219 HE ARG 24 HE ARG 24 21.727 -4.418 23.206
220 HH11 ARG 24 HH11 ARG 24 21.111 -2.810 21.743
221 HH12 ARG 24 HH12 ARG 24 19.437 -2.393 21.587
222 HH21 ARG 24 HH21 ARG 24 18.372 -4.685 23.959
223 HH22 ARG 24 HH22 ARG 24 17.887 -3.455 22.841
224 H ARG 25 HN ARG 25 25.590 -8.502 26.577
225 HA ARG 25 HA ARG 25 23.953 -10.649 27.437
226 HB2 ARG 25 HB3 ARG 25 26.403 -9.643 28.903
227 HB3 ARG 25 HB2 ARG 25 25.790 -11.296 28.833
228 HG2 ARG 25 HG3 ARG 25 26.149 -11.186 26.310
229 HG3 ARG 25 HG2 ARG 25 27.044 -9.693 26.595
230 HD2 ARG 25 HD3 ARG 25 28.628 -11.531 26.534
231 HD3 ARG 25 HD2 ARG 25 28.513 -10.952 28.197
232 HE ARG 25 HE ARG 25 26.621 -13.026 27.941
233 HH11 ARG 25 HH11 ARG 25 27.147 -15.127 28.589
234 HH12 ARG 25 HH12 ARG 25 28.810 -15.599 28.685
235 HH21 ARG 25 HH21 ARG 25 30.016 -12.509 27.667
236 HH22 ARG 25 HH22 ARG 25 30.437 -14.115 28.162
Start of MODEL 5
1 H1 PHE 1 H1 PHE 1 45.943 7.668 15.879
2 H2 PHE 1 H2 PHE 1 45.971 6.364 16.968
3 H3 PHE 1 H3 PHE 1 46.518 7.895 17.459
4 HA PHE 1 HA PHE 1 43.731 7.106 16.817
5 HB2 PHE 1 HB3 PHE 1 45.138 8.042 19.333
6 HB3 PHE 1 HB2 PHE 1 43.387 7.906 19.185
7 HD1 PHE 1 HD1 PHE 1 46.532 6.098 19.579
8 HD2 PHE 1 HD2 PHE 1 42.329 5.678 18.788
9 HE1 PHE 1 HE1 PHE 1 46.674 3.677 20.100
10 HE2 PHE 1 HE2 PHE 1 42.474 3.258 19.310
11 HZ PHE 1 HZ PHE 1 44.645 2.257 19.966
12 H ILE 2 HN ILE 2 44.949 9.050 15.183
13 HA ILE 2 HA ILE 2 44.487 11.701 16.309
14 HB ILE 2 HB ILE 2 44.848 10.908 13.401
15 HG12 ILE 2 HG13 ILE 2 46.943 11.821 15.392
16 HG13 ILE 2 HG12 ILE 2 46.693 10.137 14.931
17 HG21 ILE 2 HG21 ILE 2 43.964 13.282 14.146
18 HG22 ILE 2 HG22 ILE 2 45.261 13.175 12.964
19 HG23 ILE 2 HG23 ILE 2 45.631 13.540 14.648
20 HD11 ILE 2 HD11 ILE 2 47.476 12.424 13.103
21 HD12 ILE 2 HD12 ILE 2 47.047 10.811 12.534
22 HD13 ILE 2 HD13 ILE 2 48.471 11.038 13.550
23 H HIS 3 HN HIS 3 43.153 11.285 13.143
24 HA HIS 3 HA HIS 3 40.397 11.003 14.127
25 HB2 HIS 3 HB3 HIS 3 39.671 13.137 13.087
26 HB3 HIS 3 HB2 HIS 3 40.765 13.384 14.443
27 HD1 HIS 3 HD1 HIS 3 40.647 15.678 12.576
28 HD2 HIS 3 HD2 HIS 3 43.250 12.490 11.874
29 HE1 HIS 3 HE1 HIS 3 42.464 16.551 11.044
30 HE2 HIS 3 HE2 HIS 3 44.046 14.619 10.610
31 H HIS 4 HN HIS 4 42.728 10.823 11.658
32 HA HIS 4 HA HIS 4 40.660 10.190 9.587
33 HB2 HIS 4 HB3 HIS 4 42.362 10.548 7.937
34 HB3 HIS 4 HB2 HIS 4 42.474 11.895 9.067
35 HD1 HIS 4 HD1 HIS 4 44.786 12.345 9.894
36 HD2 HIS 4 HD2 HIS 4 44.292 8.367 8.765
37 HE1 HIS 4 HE1 HIS 4 47.045 11.232 10.197
38 HE2 HIS 4 HE2 HIS 4 46.758 8.807 9.508
39 H ILE 5 HN ILE 5 42.821 8.805 11.789
40 HA ILE 5 HA ILE 5 43.233 6.342 10.242
41 HB ILE 5 HB ILE 5 44.600 5.616 12.024
42 HG12 ILE 5 HG13 ILE 5 43.050 5.929 13.909
43 HG13 ILE 5 HG12 ILE 5 44.602 6.664 14.274
44 HG21 ILE 5 HG21 ILE 5 45.543 7.548 10.844
45 HG22 ILE 5 HG22 ILE 5 46.038 7.558 12.536
46 HG23 ILE 5 HG23 ILE 5 44.764 8.644 11.985
47 HD11 ILE 5 HD11 ILE 5 42.841 8.189 14.944
48 HD12 ILE 5 HD12 ILE 5 42.114 8.108 13.352
49 HD13 ILE 5 HD13 ILE 5 43.680 8.878 13.559
50 H ILE 6 HN ILE 6 40.713 7.688 11.997
51 HA ILE 6 HA ILE 6 39.712 5.128 13.083
52 HB ILE 6 HB ILE 6 37.643 6.803 13.501
53 HG12 ILE 6 HG13 ILE 6 39.938 8.761 13.583
54 HG13 ILE 6 HG12 ILE 6 39.009 8.557 12.103
55 HG21 ILE 6 HG21 ILE 6 40.250 6.904 15.044
56 HG22 ILE 6 HG22 ILE 6 38.972 5.705 15.254
57 HG23 ILE 6 HG23 ILE 6 38.672 7.395 15.661
58 HD11 ILE 6 HD11 ILE 6 38.160 10.390 13.592
59 HD12 ILE 6 HD12 ILE 6 37.777 9.163 14.799
60 HD13 ILE 6 HD13 ILE 6 36.959 9.148 13.236
61 H GLY 7 HN GLY 7 38.644 7.559 10.697
62 HA2 GLY 7 HA3 GLY 7 36.451 6.070 9.673
63 HA3 GLY 7 HA2 GLY 7 37.340 7.299 8.763
64 H GLY 8 HN GLY 8 39.593 5.206 9.784
65 HA2 GLY 8 HA3 GLY 8 39.784 3.900 7.142
66 HA3 GLY 8 HA2 GLY 8 40.992 3.817 8.432
67 H LEU 9 HN LEU 9 39.229 3.040 10.521
68 HA LEU 9 HA LEU 9 38.232 0.361 9.634
69 HB2 LEU 9 HB3 LEU 9 39.079 -0.413 11.964
70 HB3 LEU 9 HB2 LEU 9 40.263 -0.247 10.672
71 HG LEU 9 HG LEU 9 39.745 2.193 12.333
72 HD11 LEU 9 HD11 LEU 9 41.324 -0.194 13.340
73 HD12 LEU 9 HD12 LEU 9 39.864 0.474 14.071
74 HD13 LEU 9 HD13 LEU 9 41.358 1.414 14.064
75 HD21 LEU 9 HD21 LEU 9 41.396 2.174 10.468
76 HD22 LEU 9 HD22 LEU 9 42.284 0.891 11.286
77 HD23 LEU 9 HD23 LEU 9 42.169 2.489 12.020
78 H PHE 10 HN PHE 10 38.167 3.005 11.962
79 HA PHE 10 HA PHE 10 36.165 2.252 13.715
80 HB2 PHE 10 HB3 PHE 10 37.507 4.475 13.441
81 HB3 PHE 10 HB2 PHE 10 36.154 4.992 12.434
82 HD1 PHE 10 HD1 PHE 10 34.139 5.754 13.435
83 HD2 PHE 10 HD2 PHE 10 37.024 3.618 15.788
84 HE1 PHE 10 HE1 PHE 10 32.841 6.265 15.491
85 HE2 PHE 10 HE2 PHE 10 35.729 4.127 17.843
86 HZ PHE 10 HZ PHE 10 33.637 5.450 17.694
87 H SER 11 HN SER 11 35.859 2.940 10.300
88 HA SER 11 HA SER 11 33.056 3.483 10.206
89 HB2 SER 11 HB3 SER 11 34.807 2.126 8.133
90 HB3 SER 11 HB2 SER 11 33.207 2.806 7.834
91 HG SER 11 HG SER 11 34.735 4.606 9.097
92 H ALA 12 HN ALA 12 34.783 0.385 9.660
93 HA ALA 12 HA ALA 12 32.245 -1.084 9.794
94 HB1 ALA 12 HB1 ALA 12 35.058 -2.208 9.843
95 HB2 ALA 12 HB2 ALA 12 34.179 -1.837 8.359
96 HB3 ALA 12 HB3 ALA 12 33.572 -3.075 9.459
97 H GLY 13 HN GLY 13 34.988 -0.340 11.860
98 HA2 GLY 13 HA3 GLY 13 34.613 -2.165 13.952
99 HA3 GLY 13 HA2 GLY 13 35.145 -0.495 14.203
100 H LYS 14 HN LYS 14 32.905 0.863 13.271
101 HA LYS 14 HA LYS 14 31.193 0.923 15.546
102 HB2 LYS 14 HB3 LYS 14 30.838 1.863 12.691
103 HB3 LYS 14 HB2 LYS 14 29.582 2.100 13.907
104 HG2 LYS 14 HG3 LYS 14 30.944 3.506 15.226
105 HG3 LYS 14 HG2 LYS 14 32.429 2.953 14.445
106 HD2 LYS 14 HD3 LYS 14 31.743 5.232 13.701
107 HD3 LYS 14 HD2 LYS 14 31.803 4.073 12.373
108 HE2 LYS 14 HE3 LYS 14 29.735 5.575 12.455
109 HE3 LYS 14 HE2 LYS 14 29.428 3.842 12.340
110 HZ1 LYS 14 HZ1 LYS 14 28.139 5.167 14.074
111 HZ2 LYS 14 HZ2 LYS 14 29.590 5.199 14.957
112 HZ3 LYS 14 HZ3 LYS 14 28.857 3.715 14.573
113 H ALA 15 HN ALA 15 30.701 -0.566 12.349
114 HA ALA 15 HA ALA 15 28.167 -1.746 12.848
115 HB1 ALA 15 HB1 ALA 15 28.788 -3.341 11.055
116 HB2 ALA 15 HB2 ALA 15 30.446 -2.746 11.127
117 HB3 ALA 15 HB3 ALA 15 29.147 -1.674 10.607
118 H ILE 16 HN ILE 16 31.471 -2.910 13.508
119 HA ILE 16 HA ILE 16 30.456 -5.470 14.490
120 HB ILE 16 HB ILE 16 33.164 -4.101 14.647
121 HG12 ILE 16 HG13 ILE 16 33.743 -6.313 13.386
122 HG13 ILE 16 HG12 ILE 16 32.007 -6.451 13.131
123 HG21 ILE 16 HG21 ILE 16 33.931 -6.367 15.591
124 HG22 ILE 16 HG22 ILE 16 32.232 -6.659 15.964
125 HG23 ILE 16 HG23 ILE 16 33.076 -5.297 16.703
126 HD11 ILE 16 HD11 ILE 16 33.215 -5.311 11.253
127 HD12 ILE 16 HD12 ILE 16 33.650 -4.021 12.371
128 HD13 ILE 16 HD13 ILE 16 31.956 -4.317 11.980
129 H HIS 17 HN HIS 17 31.122 -2.299 15.731
130 HA HIS 17 HA HIS 17 31.022 -3.071 18.526
131 HB2 HIS 17 HB3 HIS 17 31.658 -0.910 18.856
132 HB3 HIS 17 HB2 HIS 17 31.612 -0.693 17.119
133 HD1 HIS 17 HD1 HIS 17 29.592 0.584 16.120
134 HD2 HIS 17 HD2 HIS 17 29.325 -0.006 20.234
135 HE1 HIS 17 HE1 HIS 17 27.684 2.037 16.920
136 HE2 HIS 17 HE2 HIS 17 27.520 1.708 19.431
137 H ARG 18 HN ARG 18 28.770 -3.001 16.075
138 HA ARG 18 HA ARG 18 26.466 -2.435 17.872
139 HB2 ARG 18 HB3 ARG 18 26.699 -2.916 14.898
140 HB3 ARG 18 HB2 ARG 18 25.149 -2.875 15.740
141 HG2 ARG 18 HG3 ARG 18 25.549 -0.627 16.518
142 HG3 ARG 18 HG2 ARG 18 27.201 -0.657 15.901
143 HD2 ARG 18 HD3 ARG 18 25.158 0.444 14.504
144 HD3 ARG 18 HD2 ARG 18 26.535 -0.320 13.712
145 HE ARG 18 HE ARG 18 24.471 -2.255 14.286
146 HH11 ARG 18 HH11 ARG 18 23.305 -3.037 12.511
147 HH12 ARG 18 HH12 ARG 18 23.331 -2.155 11.021
148 HH21 ARG 18 HH21 ARG 18 25.420 0.337 12.228
149 HH22 ARG 18 HH22 ARG 18 24.529 -0.243 10.860
150 H LEU 19 HN LEU 19 28.146 -5.012 16.229
151 HA LEU 19 HA LEU 19 26.207 -7.074 16.571
152 HB2 LEU 19 HB3 LEU 19 27.987 -7.730 15.204
153 HB3 LEU 19 HB2 LEU 19 29.184 -6.928 16.208
154 HG LEU 19 HG LEU 19 28.951 -8.724 17.911
155 HD11 LEU 19 HD11 LEU 19 27.602 -10.672 17.498
156 HD12 LEU 19 HD12 LEU 19 27.240 -10.154 15.853
157 HD13 LEU 19 HD13 LEU 19 26.546 -9.290 17.222
158 HD21 LEU 19 HD21 LEU 19 30.682 -8.972 16.245
159 HD22 LEU 19 HD22 LEU 19 29.526 -9.592 15.066
160 HD23 LEU 19 HD23 LEU 19 29.935 -10.551 16.488
161 H ILE 20 HN ILE 20 28.697 -5.726 18.687
162 HA ILE 20 HA ILE 20 28.228 -7.596 20.857
163 HB ILE 20 HB ILE 20 30.165 -6.590 21.552
164 HG12 ILE 20 HG13 ILE 20 28.542 -4.042 21.939
165 HG13 ILE 20 HG12 ILE 20 28.651 -5.346 23.120
166 HG21 ILE 20 HG21 ILE 20 29.462 -4.364 19.663
167 HG22 ILE 20 HG22 ILE 20 30.422 -5.774 19.263
168 HG23 ILE 20 HG23 ILE 20 31.039 -4.581 20.402
169 HD11 ILE 20 HD11 ILE 20 30.267 -3.769 23.820
170 HD12 ILE 20 HD12 ILE 20 30.810 -3.468 22.169
171 HD13 ILE 20 HD13 ILE 20 31.206 -4.993 22.964
172 H ARG 21 HN ARG 21 27.118 -4.267 20.243
173 HA ARG 21 HA ARG 21 25.509 -3.971 22.527
174 HB2 ARG 21 HB3 ARG 21 25.095 -2.928 19.714
175 HB3 ARG 21 HB2 ARG 21 24.132 -2.407 21.100
176 HG2 ARG 21 HG3 ARG 21 26.120 -1.598 22.240
177 HG3 ARG 21 HG2 ARG 21 27.152 -2.238 20.965
178 HD2 ARG 21 HD3 ARG 21 26.914 0.090 20.513
179 HD3 ARG 21 HD2 ARG 21 25.880 -0.740 19.356
180 HE ARG 21 HE ARG 21 23.968 0.110 20.494
181 HH11 ARG 21 HH11 ARG 21 23.036 1.594 21.910
182 HH12 ARG 21 HH12 ARG 21 24.017 2.359 23.115
183 HH21 ARG 21 HH21 ARG 21 26.926 0.731 22.169
184 HH22 ARG 21 HH22 ARG 21 26.215 1.872 23.260
185 H ARG 22 HN ARG 22 24.823 -5.522 19.439
186 HA ARG 22 HA ARG 22 22.082 -6.204 20.087
187 HB2 ARG 22 HB3 ARG 22 24.081 -7.265 18.077
188 HB3 ARG 22 HB2 ARG 22 22.466 -7.957 18.242
189 HG2 ARG 22 HG3 ARG 22 21.406 -5.942 17.598
190 HG3 ARG 22 HG2 ARG 22 22.863 -4.985 17.873
191 HD2 ARG 22 HD3 ARG 22 22.472 -5.336 15.463
192 HD3 ARG 22 HD2 ARG 22 23.969 -6.106 15.985
193 HE ARG 22 HE ARG 22 22.022 -8.096 16.201
194 HH11 ARG 22 HH11 ARG 22 21.634 -9.540 14.504
195 HH12 ARG 22 HH12 ARG 22 22.044 -9.083 12.885
196 HH21 ARG 22 HH21 ARG 22 23.251 -5.960 13.790
197 HH22 ARG 22 HH22 ARG 22 22.964 -7.056 12.481
198 H ARG 23 HN ARG 23 25.167 -7.338 21.006
199 HA ARG 23 HA ARG 23 24.080 -9.928 22.029
200 HB2 ARG 23 HB3 ARG 23 26.294 -9.677 20.628
201 HB3 ARG 23 HB2 ARG 23 26.983 -9.100 22.142
202 HG2 ARG 23 HG3 ARG 23 27.396 -11.371 22.392
203 HG3 ARG 23 HG2 ARG 23 25.790 -11.299 23.116
204 HD2 ARG 23 HD3 ARG 23 24.842 -11.817 20.826
205 HD3 ARG 23 HD2 ARG 23 26.495 -12.115 20.286
206 HE ARG 23 HE ARG 23 26.222 -13.710 22.544
207 HH11 ARG 23 HH11 ARG 23 25.512 -15.850 22.436
208 HH12 ARG 23 HH12 ARG 23 24.536 -16.359 21.098
209 HH21 ARG 23 HH21 ARG 23 24.537 -13.245 19.571
210 HH22 ARG 23 HH22 ARG 23 23.986 -14.884 19.476
211 H ARG 24 HN ARG 24 23.413 -7.367 23.288
212 HA ARG 24 HA ARG 24 25.053 -6.757 25.512
213 HB2 ARG 24 HB3 ARG 24 22.783 -6.030 26.558
214 HB3 ARG 24 HB2 ARG 24 23.326 -5.217 25.092
215 HG2 ARG 24 HG3 ARG 24 21.865 -6.507 23.713
216 HG3 ARG 24 HG2 ARG 24 21.513 -7.635 25.023
217 HD2 ARG 24 HD3 ARG 24 20.784 -4.694 25.011
218 HD3 ARG 24 HD2 ARG 24 19.664 -6.020 24.698
219 HE ARG 24 HE ARG 24 21.065 -6.258 27.252
220 HH11 ARG 24 HH11 ARG 24 19.769 -6.064 29.089
221 HH12 ARG 24 HH12 ARG 24 18.162 -5.433 28.938
222 HH21 ARG 24 HH21 ARG 24 18.386 -4.954 25.511
223 HH22 ARG 24 HH22 ARG 24 17.381 -4.803 26.913
224 H ARG 25 HN ARG 25 25.788 -8.867 26.211
225 HA ARG 25 HA ARG 25 24.099 -10.958 27.124
226 HB2 ARG 25 HB3 ARG 25 26.774 -10.249 28.350
227 HB3 ARG 25 HB2 ARG 25 26.031 -11.844 28.222
228 HG2 ARG 25 HG3 ARG 25 26.147 -11.612 25.715
229 HG3 ARG 25 HG2 ARG 25 27.084 -10.137 25.952
230 HD2 ARG 25 HD3 ARG 25 28.806 -11.377 27.155
231 HD3 ARG 25 HD2 ARG 25 27.853 -12.857 27.048
232 HE ARG 25 HE ARG 25 28.602 -13.107 24.825
233 HH11 ARG 25 HH11 ARG 25 29.749 -12.435 22.997
234 HH12 ARG 25 HH12 ARG 25 30.340 -10.809 22.912
235 HH21 ARG 25 HH21 ARG 25 29.080 -9.908 26.012
236 HH22 ARG 25 HH22 ARG 25 29.962 -9.379 24.618
Start of MODEL 6
1 H1 PHE 1 H1 PHE 1 46.682 8.465 17.496
2 H2 PHE 1 H2 PHE 1 46.595 6.856 16.960
3 H3 PHE 1 H3 PHE 1 46.237 7.237 18.577
4 HA PHE 1 HA PHE 1 44.504 7.164 16.362
5 HB2 PHE 1 HB3 PHE 1 44.230 7.771 19.315
6 HB3 PHE 1 HB2 PHE 1 42.842 7.682 18.229
7 HD1 PHE 1 HD1 PHE 1 42.649 5.541 16.752
8 HD2 PHE 1 HD2 PHE 1 45.065 5.798 20.296
9 HE1 PHE 1 HE1 PHE 1 42.653 3.068 16.930
10 HE2 PHE 1 HE2 PHE 1 45.067 3.325 20.473
11 HZ PHE 1 HZ PHE 1 43.861 1.959 18.790
12 H ILE 2 HN ILE 2 45.005 9.004 15.009
13 HA ILE 2 HA ILE 2 44.773 11.703 16.143
14 HB ILE 2 HB ILE 2 44.970 10.831 13.241
15 HG12 ILE 2 HG13 ILE 2 47.187 11.850 15.031
16 HG13 ILE 2 HG12 ILE 2 46.869 10.131 14.802
17 HG21 ILE 2 HG21 ILE 2 45.380 13.075 12.699
18 HG22 ILE 2 HG22 ILE 2 45.837 13.500 14.346
19 HG23 ILE 2 HG23 ILE 2 44.146 13.246 13.942
20 HD11 ILE 2 HD11 ILE 2 47.463 12.106 12.580
21 HD12 ILE 2 HD12 ILE 2 47.184 10.376 12.379
22 HD13 ILE 2 HD13 ILE 2 48.612 10.943 13.243
23 H HIS 3 HN HIS 3 43.240 11.152 13.065
24 HA HIS 3 HA HIS 3 40.541 11.037 14.194
25 HB2 HIS 3 HB3 HIS 3 39.832 13.190 13.236
26 HB3 HIS 3 HB2 HIS 3 41.090 13.417 14.446
27 HD1 HIS 3 HD1 HIS 3 40.737 15.609 12.389
28 HD2 HIS 3 HD2 HIS 3 43.329 12.393 11.787
29 HE1 HIS 3 HE1 HIS 3 42.455 16.368 10.690
30 HE2 HIS 3 HE2 HIS 3 44.015 14.412 10.299
31 H HIS 4 HN HIS 4 42.731 10.749 11.610
32 HA HIS 4 HA HIS 4 40.533 10.169 9.660
33 HB2 HIS 4 HB3 HIS 4 42.139 10.483 7.912
34 HB3 HIS 4 HB2 HIS 4 42.352 11.831 9.027
35 HD1 HIS 4 HD1 HIS 4 44.717 12.224 9.719
36 HD2 HIS 4 HD2 HIS 4 44.067 8.259 8.621
37 HE1 HIS 4 HE1 HIS 4 46.965 11.064 9.876
38 HE2 HIS 4 HE2 HIS 4 46.583 8.646 9.206
39 H ILE 5 HN ILE 5 42.879 8.756 11.688
40 HA ILE 5 HA ILE 5 43.120 6.288 10.133
41 HB ILE 5 HB ILE 5 44.544 5.510 11.852
42 HG12 ILE 5 HG13 ILE 5 43.109 5.860 13.808
43 HG13 ILE 5 HG12 ILE 5 44.685 6.583 14.096
44 HG21 ILE 5 HG21 ILE 5 45.477 7.415 10.618
45 HG22 ILE 5 HG22 ILE 5 46.068 7.402 12.278
46 HG23 ILE 5 HG23 ILE 5 44.801 8.531 11.803
47 HD11 ILE 5 HD11 ILE 5 43.727 8.798 13.362
48 HD12 ILE 5 HD12 ILE 5 43.018 8.152 14.839
49 HD13 ILE 5 HD13 ILE 5 42.148 8.026 13.321
50 H ILE 6 HN ILE 6 40.688 7.681 11.915
51 HA ILE 6 HA ILE 6 39.678 5.171 13.103
52 HB ILE 6 HB ILE 6 37.640 6.893 13.506
53 HG12 ILE 6 HG13 ILE 6 39.988 8.792 13.474
54 HG13 ILE 6 HG12 ILE 6 38.981 8.587 12.045
55 HG21 ILE 6 HG21 ILE 6 38.986 5.811 15.262
56 HG22 ILE 6 HG22 ILE 6 38.698 7.510 15.638
57 HG23 ILE 6 HG23 ILE 6 40.267 6.998 15.013
58 HD11 ILE 6 HD11 ILE 6 38.300 10.468 13.617
59 HD12 ILE 6 HD12 ILE 6 37.835 9.215 14.768
60 HD13 ILE 6 HD13 ILE 6 37.027 9.320 13.203
61 H GLY 7 HN GLY 7 38.574 7.553 10.678
62 HA2 GLY 7 HA3 GLY 7 36.373 6.018 9.731
63 HA3 GLY 7 HA2 GLY 7 37.232 7.236 8.776
64 H GLY 8 HN GLY 8 39.527 5.191 9.806
65 HA2 GLY 8 HA3 GLY 8 39.689 3.824 7.195
66 HA3 GLY 8 HA2 GLY 8 40.922 3.792 8.462
67 H LEU 9 HN LEU 9 39.228 3.043 10.606
68 HA LEU 9 HA LEU 9 38.258 0.320 9.817
69 HB2 LEU 9 HB3 LEU 9 39.106 -0.335 12.191
70 HB3 LEU 9 HB2 LEU 9 40.282 -0.232 10.886
71 HG LEU 9 HG LEU 9 39.765 2.296 12.409
72 HD11 LEU 9 HD11 LEU 9 39.881 0.806 14.289
73 HD12 LEU 9 HD12 LEU 9 41.467 1.561 14.141
74 HD13 LEU 9 HD13 LEU 9 41.221 -0.091 13.575
75 HD21 LEU 9 HD21 LEU 9 42.236 2.500 12.127
76 HD22 LEU 9 HD22 LEU 9 41.412 2.249 10.590
77 HD23 LEU 9 HD23 LEU 9 42.262 0.912 11.364
78 H PHE 10 HN PHE 10 38.149 3.047 12.053
79 HA PHE 10 HA PHE 10 36.112 2.310 13.791
80 HB2 PHE 10 HB3 PHE 10 37.467 4.536 13.496
81 HB3 PHE 10 HB2 PHE 10 36.117 5.032 12.479
82 HD1 PHE 10 HD1 PHE 10 36.715 3.359 15.792
83 HD2 PHE 10 HD2 PHE 10 34.364 6.165 13.543
84 HE1 PHE 10 HE1 PHE 10 35.421 3.913 17.836
85 HE2 PHE 10 HE2 PHE 10 33.070 6.718 15.588
86 HZ PHE 10 HZ PHE 10 33.598 5.592 17.733
87 H SER 11 HN SER 11 35.907 3.075 10.376
88 HA SER 11 HA SER 11 33.106 3.540 10.168
89 HB2 SER 11 HB3 SER 11 34.820 2.104 8.122
90 HB3 SER 11 HB2 SER 11 33.349 3.031 7.822
91 HG SER 11 HG SER 11 35.827 3.904 7.841
92 H ALA 12 HN ALA 12 34.969 0.504 9.927
93 HA ALA 12 HA ALA 12 32.487 -1.081 9.847
94 HB1 ALA 12 HB1 ALA 12 34.008 -3.028 9.848
95 HB2 ALA 12 HB2 ALA 12 35.384 -1.952 10.095
96 HB3 ALA 12 HB3 ALA 12 34.461 -1.876 8.593
97 H GLY 13 HN GLY 13 34.968 -0.073 12.106
98 HA2 GLY 13 HA3 GLY 13 34.548 -1.822 14.253
99 HA3 GLY 13 HA2 GLY 13 34.918 -0.103 14.459
100 H LYS 14 HN LYS 14 32.686 1.031 13.276
101 HA LYS 14 HA LYS 14 30.758 1.095 15.356
102 HB2 LYS 14 HB3 LYS 14 30.532 1.700 12.394
103 HB3 LYS 14 HB2 LYS 14 29.202 1.972 13.519
104 HG2 LYS 14 HG3 LYS 14 30.382 3.628 14.715
105 HG3 LYS 14 HG2 LYS 14 31.942 3.112 14.068
106 HD2 LYS 14 HD3 LYS 14 31.528 4.076 11.955
107 HD3 LYS 14 HD2 LYS 14 29.789 4.162 12.229
108 HE2 LYS 14 HE3 LYS 14 31.688 5.716 13.981
109 HE3 LYS 14 HE2 LYS 14 31.177 6.356 12.420
110 HZ1 LYS 14 HZ1 LYS 14 29.596 7.174 13.870
111 HZ2 LYS 14 HZ2 LYS 14 29.541 5.751 14.796
112 HZ3 LYS 14 HZ3 LYS 14 28.832 5.791 13.253
113 H ALA 15 HN ALA 15 30.622 -0.656 12.251
114 HA ALA 15 HA ALA 15 28.189 -2.046 12.697
115 HB1 ALA 15 HB1 ALA 15 30.657 -2.888 11.157
116 HB2 ALA 15 HB2 ALA 15 29.247 -2.053 10.506
117 HB3 ALA 15 HB3 ALA 15 29.104 -3.717 11.074
118 H ILE 16 HN ILE 16 31.541 -2.841 13.600
119 HA ILE 16 HA ILE 16 30.727 -5.420 14.702
120 HB ILE 16 HB ILE 16 33.270 -3.769 14.881
121 HG12 ILE 16 HG13 ILE 16 34.140 -5.988 13.828
122 HG13 ILE 16 HG12 ILE 16 32.444 -6.339 13.517
123 HG21 ILE 16 HG21 ILE 16 33.202 -4.806 17.021
124 HG22 ILE 16 HG22 ILE 16 34.216 -5.862 16.038
125 HG23 ILE 16 HG23 ILE 16 32.539 -6.301 16.363
126 HD11 ILE 16 HD11 ILE 16 32.222 -4.296 12.204
127 HD12 ILE 16 HD12 ILE 16 33.587 -5.227 11.593
128 HD13 ILE 16 HD13 ILE 16 33.869 -3.820 12.617
129 H HIS 17 HN HIS 17 30.964 -2.128 15.748
130 HA HIS 17 HA HIS 17 30.795 -2.722 18.584
131 HB2 HIS 17 HB3 HIS 17 31.183 -0.487 18.794
132 HB3 HIS 17 HB2 HIS 17 31.215 -0.388 17.047
133 HD1 HIS 17 HD1 HIS 17 29.144 0.610 15.865
134 HD2 HIS 17 HD2 HIS 17 28.691 0.228 19.986
135 HE1 HIS 17 HE1 HIS 17 27.025 1.852 16.459
136 HE2 HIS 17 HE2 HIS 17 26.741 1.648 18.976
137 H ARG 18 HN ARG 18 28.686 -3.014 16.006
138 HA ARG 18 HA ARG 18 26.239 -2.602 17.640
139 HB2 ARG 18 HB3 ARG 18 26.682 -3.243 14.721
140 HB3 ARG 18 HB2 ARG 18 25.090 -3.284 15.484
141 HG2 ARG 18 HG3 ARG 18 25.303 -0.956 16.157
142 HG3 ARG 18 HG2 ARG 18 26.946 -0.892 15.525
143 HD2 ARG 18 HD3 ARG 18 24.929 0.005 14.064
144 HD3 ARG 18 HD2 ARG 18 26.237 -0.899 13.301
145 HE ARG 18 HE ARG 18 24.481 -2.889 13.943
146 HH11 ARG 18 HH11 ARG 18 22.745 -3.531 12.650
147 HH12 ARG 18 HH12 ARG 18 22.023 -2.392 11.563
148 HH21 ARG 18 HH21 ARG 18 24.151 0.199 12.446
149 HH22 ARG 18 HH22 ARG 18 22.818 -0.279 11.451
150 H LEU 19 HN LEU 19 28.267 -5.083 16.279
151 HA LEU 19 HA LEU 19 26.513 -7.304 16.660
152 HB2 LEU 19 HB3 LEU 19 28.418 -7.854 15.416
153 HB3 LEU 19 HB2 LEU 19 29.481 -6.892 16.432
154 HG LEU 19 HG LEU 19 29.323 -8.606 18.218
155 HD11 LEU 19 HD11 LEU 19 28.175 -10.697 17.850
156 HD12 LEU 19 HD12 LEU 19 27.825 -10.277 16.174
157 HD13 LEU 19 HD13 LEU 19 27.014 -9.426 17.483
158 HD21 LEU 19 HD21 LEU 19 30.087 -9.616 15.465
159 HD22 LEU 19 HD22 LEU 19 30.535 -10.410 16.974
160 HD23 LEU 19 HD23 LEU 19 31.137 -8.792 16.618
161 H ILE 20 HN ILE 20 28.759 -5.593 18.792
162 HA ILE 20 HA ILE 20 28.355 -7.358 21.059
163 HB ILE 20 HB ILE 20 30.145 -6.129 21.783
164 HG12 ILE 20 HG13 ILE 20 28.283 -3.722 21.897
165 HG13 ILE 20 HG12 ILE 20 28.438 -4.925 23.175
166 HG21 ILE 20 HG21 ILE 20 30.461 -5.456 19.462
167 HG22 ILE 20 HG22 ILE 20 30.886 -4.122 20.529
168 HG23 ILE 20 HG23 ILE 20 29.342 -4.128 19.693
169 HD11 ILE 20 HD11 ILE 20 30.939 -4.359 23.169
170 HD12 ILE 20 HD12 ILE 20 29.856 -3.125 23.811
171 HD13 ILE 20 HD13 ILE 20 30.508 -2.964 22.181
172 H ARG 21 HN ARG 21 26.970 -4.195 20.184
173 HA ARG 21 HA ARG 21 25.220 -3.940 22.366
174 HB2 ARG 21 HB3 ARG 21 24.865 -3.083 19.485
175 HB3 ARG 21 HB2 ARG 21 23.791 -2.583 20.794
176 HG2 ARG 21 HG3 ARG 21 25.618 -1.527 21.975
177 HG3 ARG 21 HG2 ARG 21 26.787 -2.158 20.817
178 HD2 ARG 21 HD3 ARG 21 26.193 0.232 20.401
179 HD3 ARG 21 HD2 ARG 21 25.821 -0.818 19.039
180 HE ARG 21 HE ARG 21 23.499 -0.676 20.656
181 HH11 ARG 21 HH11 ARG 21 21.827 0.724 20.068
182 HH12 ARG 21 HH12 ARG 21 22.163 2.062 19.020
183 HH21 ARG 21 HH21 ARG 21 25.535 1.313 18.710
184 HH22 ARG 21 HH22 ARG 21 24.263 2.396 18.251
185 H ARG 22 HN ARG 22 24.838 -5.679 19.325
186 HA ARG 22 HA ARG 22 22.141 -6.589 19.900
187 HB2 ARG 22 HB3 ARG 22 24.290 -7.477 17.967
188 HB3 ARG 22 HB2 ARG 22 22.761 -8.346 18.111
189 HG2 ARG 22 HG3 ARG 22 21.508 -6.347 17.534
190 HG3 ARG 22 HG2 ARG 22 22.982 -5.376 17.545
191 HD2 ARG 22 HD3 ARG 22 22.270 -6.035 15.242
192 HD3 ARG 22 HD2 ARG 22 23.877 -6.627 15.664
193 HE ARG 22 HE ARG 22 22.223 -8.719 16.378
194 HH11 ARG 22 HH11 ARG 22 21.618 -10.365 14.953
195 HH12 ARG 22 HH12 ARG 22 21.623 -10.063 13.248
196 HH21 ARG 22 HH21 ARG 22 22.694 -6.778 13.568
197 HH22 ARG 22 HH22 ARG 22 22.233 -8.030 12.463
198 H ARG 23 HN ARG 23 25.247 -7.382 21.033
199 HA ARG 23 HA ARG 23 24.382 -10.080 21.986
200 HB2 ARG 23 HB3 ARG 23 26.636 -9.603 20.723
201 HB3 ARG 23 HB2 ARG 23 27.172 -8.967 22.274
202 HG2 ARG 23 HG3 ARG 23 27.790 -11.179 22.581
203 HG3 ARG 23 HG2 ARG 23 26.129 -11.291 23.162
204 HD2 ARG 23 HD3 ARG 23 25.502 -11.826 20.716
205 HD3 ARG 23 HD2 ARG 23 27.227 -12.087 20.461
206 HE ARG 23 HE ARG 23 26.140 -13.562 22.741
207 HH11 ARG 23 HH11 ARG 23 26.168 -15.813 22.521
208 HH12 ARG 23 HH12 ARG 23 26.443 -16.514 20.961
209 HH21 ARG 23 HH21 ARG 23 26.750 -13.458 19.348
210 HH22 ARG 23 HH22 ARG 23 26.774 -15.181 19.165
211 H ARG 24 HN ARG 24 23.464 -7.507 23.198
212 HA ARG 24 HA ARG 24 24.902 -6.910 25.577
213 HB2 ARG 24 HB3 ARG 24 22.017 -6.650 24.743
214 HB3 ARG 24 HB2 ARG 24 22.453 -6.341 26.424
215 HG2 ARG 24 HG3 ARG 24 23.914 -4.560 25.828
216 HG3 ARG 24 HG2 ARG 24 23.912 -5.024 24.128
217 HD2 ARG 24 HD3 ARG 24 21.380 -4.190 25.550
218 HD3 ARG 24 HD2 ARG 24 22.445 -3.012 24.781
219 HE ARG 24 HE ARG 24 21.831 -5.133 22.938
220 HH11 ARG 24 HH11 ARG 24 20.352 -4.678 21.289
221 HH12 ARG 24 HH12 ARG 24 19.294 -3.314 21.445
222 HH21 ARG 24 HH21 ARG 24 20.535 -2.369 24.543
223 HH22 ARG 24 HH22 ARG 24 19.398 -2.008 23.288
224 H ARG 25 HN ARG 25 25.632 -8.994 26.296
225 HA ARG 25 HA ARG 25 23.968 -11.193 26.948
226 HB2 ARG 25 HB3 ARG 25 25.820 -11.916 28.409
227 HB3 ARG 25 HB2 ARG 25 26.434 -11.323 26.865
228 HG2 ARG 25 HG3 ARG 25 26.680 -9.041 28.028
229 HG3 ARG 25 HG2 ARG 25 26.452 -9.919 29.540
230 HD2 ARG 25 HD3 ARG 25 28.334 -11.480 28.697
231 HD3 ARG 25 HD2 ARG 25 28.682 -10.205 27.527
232 HE ARG 25 HE ARG 25 28.514 -9.119 30.195
233 HH11 ARG 25 HH11 ARG 25 30.453 -8.520 31.185
234 HH12 ARG 25 HH12 ARG 25 31.952 -9.124 30.560
235 HH21 ARG 25 HH21 ARG 25 30.462 -10.954 28.019
236 HH22 ARG 25 HH22 ARG 25 31.958 -10.499 28.767
Start of MODEL 7
1 H1 PHE 1 H1 PHE 1 42.682 2.737 18.488
2 H2 PHE 1 H2 PHE 1 41.864 3.195 19.905
3 H3 PHE 1 H3 PHE 1 43.332 3.941 19.489
4 HA PHE 1 HA PHE 1 41.780 4.360 17.293
5 HB2 PHE 1 HB3 PHE 1 40.122 5.070 19.718
6 HB3 PHE 1 HB2 PHE 1 39.639 5.052 18.021
7 HD1 PHE 1 HD1 PHE 1 39.671 2.773 16.796
8 HD2 PHE 1 HD2 PHE 1 39.757 3.173 21.072
9 HE1 PHE 1 HE1 PHE 1 38.901 0.427 17.030
10 HE2 PHE 1 HE2 PHE 1 38.986 0.827 21.307
11 HZ PHE 1 HZ PHE 1 38.559 -0.546 19.286
12 H ILE 2 HN ILE 2 43.270 5.994 16.897
13 HA ILE 2 HA ILE 2 43.814 7.995 19.020
14 HB ILE 2 HB ILE 2 45.002 7.701 16.243
15 HG12 ILE 2 HG13 ILE 2 46.218 7.055 18.946
16 HG13 ILE 2 HG12 ILE 2 45.472 5.843 17.906
17 HG21 ILE 2 HG21 ILE 2 45.082 10.029 17.215
18 HG22 ILE 2 HG22 ILE 2 46.670 9.308 17.002
19 HG23 ILE 2 HG23 ILE 2 45.938 9.367 18.602
20 HD11 ILE 2 HD11 ILE 2 47.905 7.543 17.308
21 HD12 ILE 2 HD12 ILE 2 47.063 6.610 16.070
22 HD13 ILE 2 HD13 ILE 2 47.823 5.786 17.431
23 H HIS 3 HN HIS 3 43.655 8.723 15.562
24 HA HIS 3 HA HIS 3 41.154 10.223 15.892
25 HB2 HIS 3 HB3 HIS 3 42.168 12.402 15.340
26 HB3 HIS 3 HB2 HIS 3 42.797 11.763 16.857
27 HD1 HIS 3 HD1 HIS 3 44.520 13.787 15.442
28 HD2 HIS 3 HD2 HIS 3 44.844 9.698 14.665
29 HE1 HIS 3 HE1 HIS 3 46.834 13.410 14.485
30 HE2 HIS 3 HE2 HIS 3 47.028 10.936 13.987
31 H HIS 4 HN HIS 4 43.535 8.782 13.926
32 HA HIS 4 HA HIS 4 41.993 9.541 11.471
33 HB2 HIS 4 HB3 HIS 4 44.044 9.556 10.183
34 HB3 HIS 4 HB2 HIS 4 44.225 10.665 11.541
35 HD1 HIS 4 HD1 HIS 4 46.373 10.382 12.764
36 HD2 HIS 4 HD2 HIS 4 45.116 6.824 11.007
37 HE1 HIS 4 HE1 HIS 4 48.181 8.671 13.247
38 HE2 HIS 4 HE2 HIS 4 47.429 6.498 12.175
39 H ILE 5 HN ILE 5 43.673 7.083 13.303
40 HA ILE 5 HA ILE 5 43.397 5.021 11.280
41 HB ILE 5 HB ILE 5 43.821 3.461 13.157
42 HG12 ILE 5 HG13 ILE 5 43.426 5.981 14.791
43 HG13 ILE 5 HG12 ILE 5 42.523 4.471 14.909
44 HG21 ILE 5 HG21 ILE 5 45.595 5.882 13.511
45 HG22 ILE 5 HG22 ILE 5 45.673 4.867 12.069
46 HG23 ILE 5 HG23 ILE 5 46.040 4.183 13.648
47 HD11 ILE 5 HD11 ILE 5 45.377 5.011 15.727
48 HD12 ILE 5 HD12 ILE 5 44.778 3.370 15.482
49 HD13 ILE 5 HD13 ILE 5 44.056 4.397 16.721
50 H ILE 6 HN ILE 6 41.266 6.724 13.270
51 HA ILE 6 HA ILE 6 39.310 4.629 13.700
52 HB ILE 6 HB ILE 6 37.831 6.847 14.040
53 HG12 ILE 6 HG13 ILE 6 40.641 7.877 14.501
54 HG13 ILE 6 HG12 ILE 6 39.735 8.238 13.036
55 HG21 ILE 6 HG21 ILE 6 38.506 5.261 15.816
56 HG22 ILE 6 HG22 ILE 6 38.623 6.935 16.361
57 HG23 ILE 6 HG23 ILE 6 40.080 6.051 15.909
58 HD11 ILE 6 HD11 ILE 6 37.863 9.076 14.583
59 HD12 ILE 6 HD12 ILE 6 39.310 10.071 14.484
60 HD13 ILE 6 HD13 ILE 6 39.064 9.015 15.874
61 H GLY 7 HN GLY 7 39.222 7.515 11.577
62 HA2 GLY 7 HA3 GLY 7 36.961 6.668 10.083
63 HA3 GLY 7 HA2 GLY 7 38.181 7.806 9.497
64 H GLY 8 HN GLY 8 39.786 5.114 10.415
65 HA2 GLY 8 HA3 GLY 8 39.975 4.126 7.608
66 HA3 GLY 8 HA2 GLY 8 41.155 3.823 8.890
67 H LEU 9 HN LEU 9 39.128 3.128 10.874
68 HA LEU 9 HA LEU 9 38.056 0.554 9.775
69 HB2 LEU 9 HB3 LEU 9 38.741 -0.592 11.820
70 HB3 LEU 9 HB2 LEU 9 40.146 0.134 11.047
71 HG LEU 9 HG LEU 9 39.326 2.200 12.690
72 HD11 LEU 9 HD11 LEU 9 38.640 1.400 14.811
73 HD12 LEU 9 HD12 LEU 9 39.033 -0.271 14.407
74 HD13 LEU 9 HD13 LEU 9 37.633 0.506 13.674
75 HD21 LEU 9 HD21 LEU 9 41.202 1.556 14.151
76 HD22 LEU 9 HD22 LEU 9 41.632 1.324 12.456
77 HD23 LEU 9 HD23 LEU 9 41.200 -0.064 13.454
78 H PHE 10 HN PHE 10 37.845 3.156 12.127
79 HA PHE 10 HA PHE 10 35.737 2.500 13.747
80 HB2 PHE 10 HB3 PHE 10 36.971 4.701 13.601
81 HB3 PHE 10 HB2 PHE 10 35.908 5.130 12.258
82 HD1 PHE 10 HD1 PHE 10 35.844 3.916 15.793
83 HD2 PHE 10 HD2 PHE 10 33.813 6.095 12.702
84 HE1 PHE 10 HE1 PHE 10 34.100 4.603 17.425
85 HE2 PHE 10 HE2 PHE 10 32.068 6.784 14.330
86 HZ PHE 10 HZ PHE 10 32.213 6.037 16.692
87 H SER 11 HN SER 11 35.573 3.142 10.288
88 HA SER 11 HA SER 11 32.749 3.485 10.068
89 HB2 SER 11 HB3 SER 11 33.041 3.178 7.762
90 HB3 SER 11 HB2 SER 11 34.656 3.686 8.259
91 HG SER 11 HG SER 11 34.846 1.834 7.025
92 H ALA 12 HN ALA 12 34.774 0.558 9.949
93 HA ALA 12 HA ALA 12 32.378 -1.169 9.932
94 HB1 ALA 12 HB1 ALA 12 34.104 -3.014 10.080
95 HB2 ALA 12 HB2 ALA 12 35.348 -1.766 10.003
96 HB3 ALA 12 HB3 ALA 12 34.244 -1.997 8.646
97 H GLY 13 HN GLY 13 34.805 0.088 12.113
98 HA2 GLY 13 HA3 GLY 13 34.557 -1.647 14.306
99 HA3 GLY 13 HA2 GLY 13 34.815 0.097 14.467
100 H LYS 14 HN LYS 14 32.484 1.037 13.283
101 HA LYS 14 HA LYS 14 30.601 0.980 15.414
102 HB2 LYS 14 HB3 LYS 14 30.368 1.677 12.481
103 HB3 LYS 14 HB2 LYS 14 28.972 1.769 13.557
104 HG2 LYS 14 HG3 LYS 14 29.963 3.446 14.898
105 HG3 LYS 14 HG2 LYS 14 31.581 3.120 14.267
106 HD2 LYS 14 HD3 LYS 14 30.557 5.209 13.337
107 HD3 LYS 14 HD2 LYS 14 30.976 4.025 12.099
108 HE2 LYS 14 HE3 LYS 14 28.645 5.131 11.937
109 HE3 LYS 14 HE2 LYS 14 28.722 3.376 11.791
110 HZ1 LYS 14 HZ1 LYS 14 28.462 4.373 14.494
111 HZ2 LYS 14 HZ2 LYS 14 27.666 3.081 13.729
112 HZ3 LYS 14 HZ3 LYS 14 27.124 4.675 13.497
113 H ALA 15 HN ALA 15 30.616 -0.783 12.319
114 HA ALA 15 HA ALA 15 28.252 -2.308 12.704
115 HB1 ALA 15 HB1 ALA 15 29.231 -3.889 11.091
116 HB2 ALA 15 HB2 ALA 15 30.800 -3.109 11.281
117 HB3 ALA 15 HB3 ALA 15 29.458 -2.223 10.558
118 H ILE 16 HN ILE 16 31.613 -2.899 13.743
119 HA ILE 16 HA ILE 16 30.894 -5.515 14.834
120 HB ILE 16 HB ILE 16 33.332 -3.724 15.137
121 HG12 ILE 16 HG13 ILE 16 34.380 -5.889 14.131
122 HG13 ILE 16 HG12 ILE 16 32.725 -6.335 13.731
123 HG21 ILE 16 HG21 ILE 16 32.661 -6.301 16.571
124 HG22 ILE 16 HG22 ILE 16 33.196 -4.772 17.270
125 HG23 ILE 16 HG23 ILE 16 34.325 -5.762 16.346
126 HD11 ILE 16 HD11 ILE 16 34.027 -3.725 12.910
127 HD12 ILE 16 HD12 ILE 16 32.453 -4.330 12.396
128 HD13 ILE 16 HD13 ILE 16 33.922 -5.148 11.876
129 H HIS 17 HN HIS 17 30.971 -2.197 15.862
130 HA HIS 17 HA HIS 17 30.634 -2.786 18.686
131 HB2 HIS 17 HB3 HIS 17 30.994 -0.547 18.885
132 HB3 HIS 17 HB2 HIS 17 31.080 -0.454 17.139
133 HD1 HIS 17 HD1 HIS 17 29.018 0.481 15.884
134 HD2 HIS 17 HD2 HIS 17 28.458 0.148 19.997
135 HE1 HIS 17 HE1 HIS 17 26.893 1.741 16.406
136 HE2 HIS 17 HE2 HIS 17 26.533 1.553 18.917
137 H ARG 18 HN ARG 18 28.707 -3.144 15.981
138 HA ARG 18 HA ARG 18 26.148 -2.777 17.448
139 HB2 ARG 18 HB3 ARG 18 26.835 -3.333 14.562
140 HB3 ARG 18 HB2 ARG 18 25.194 -3.519 15.181
141 HG2 ARG 18 HG3 ARG 18 25.175 -1.204 15.938
142 HG3 ARG 18 HG2 ARG 18 26.852 -0.998 15.441
143 HD2 ARG 18 HD3 ARG 18 24.991 -0.153 13.835
144 HD3 ARG 18 HD2 ARG 18 26.314 -1.092 13.149
145 HE ARG 18 HE ARG 18 24.434 -3.013 13.740
146 HH11 ARG 18 HH11 ARG 18 22.795 -3.629 12.308
147 HH12 ARG 18 HH12 ARG 18 22.252 -2.508 11.104
148 HH21 ARG 18 HH21 ARG 18 24.434 0.004 12.079
149 HH22 ARG 18 HH22 ARG 18 23.177 -0.451 10.976
150 H LEU 19 HN LEU 19 28.351 -5.207 16.320
151 HA LEU 19 HA LEU 19 26.588 -7.463 16.543
152 HB2 LEU 19 HB3 LEU 19 28.561 -8.016 15.422
153 HB3 LEU 19 HB2 LEU 19 29.551 -6.998 16.456
154 HG LEU 19 HG LEU 19 29.352 -8.673 18.283
155 HD11 LEU 19 HD11 LEU 19 28.262 -10.775 17.956
156 HD12 LEU 19 HD12 LEU 19 28.070 -10.494 16.227
157 HD13 LEU 19 HD13 LEU 19 27.106 -9.579 17.381
158 HD21 LEU 19 HD21 LEU 19 30.294 -9.741 15.607
159 HD22 LEU 19 HD22 LEU 19 30.715 -10.439 17.171
160 HD23 LEU 19 HD23 LEU 19 31.249 -8.810 16.759
161 H ILE 20 HN ILE 20 28.646 -5.690 18.796
162 HA ILE 20 HA ILE 20 28.135 -7.465 21.044
163 HB ILE 20 HB ILE 20 29.866 -6.204 21.860
164 HG12 ILE 20 HG13 ILE 20 27.950 -3.836 21.883
165 HG13 ILE 20 HG12 ILE 20 28.056 -5.046 23.160
166 HG21 ILE 20 HG21 ILE 20 30.299 -5.507 19.561
167 HG22 ILE 20 HG22 ILE 20 30.640 -4.176 20.664
168 HG23 ILE 20 HG23 ILE 20 29.145 -4.197 19.742
169 HD11 ILE 20 HD11 ILE 20 29.369 -3.091 23.781
170 HD12 ILE 20 HD12 ILE 20 30.245 -3.157 22.252
171 HD13 ILE 20 HD13 ILE 20 30.464 -4.433 23.450
172 H ARG 21 HN ARG 21 26.773 -4.321 20.058
173 HA ARG 21 HA ARG 21 24.872 -4.081 22.117
174 HB2 ARG 21 HB3 ARG 21 24.695 -3.230 19.218
175 HB3 ARG 21 HB2 ARG 21 23.542 -2.737 20.461
176 HG2 ARG 21 HG3 ARG 21 25.264 -1.640 21.733
177 HG3 ARG 21 HG2 ARG 21 26.525 -2.299 20.693
178 HD2 ARG 21 HD3 ARG 21 25.863 0.119 20.242
179 HD3 ARG 21 HD2 ARG 21 25.838 -0.960 18.850
180 HE ARG 21 HE ARG 21 23.262 -0.749 20.221
181 HH11 ARG 21 HH11 ARG 21 21.611 0.212 19.005
182 HH12 ARG 21 HH12 ARG 21 22.012 1.075 17.559
183 HH21 ARG 21 HH21 ARG 21 25.419 0.500 17.840
184 HH22 ARG 21 HH22 ARG 21 24.165 1.239 16.899
185 H ARG 22 HN ARG 22 24.699 -5.798 19.033
186 HA ARG 22 HA ARG 22 21.989 -6.727 19.415
187 HB2 ARG 22 HB3 ARG 22 24.274 -7.745 17.706
188 HB3 ARG 22 HB2 ARG 22 22.658 -8.452 17.679
189 HG2 ARG 22 HG3 ARG 22 21.675 -6.407 16.913
190 HG3 ARG 22 HG2 ARG 22 23.161 -5.506 17.217
191 HD2 ARG 22 HD3 ARG 22 23.045 -7.815 15.273
192 HD3 ARG 22 HD2 ARG 22 22.723 -6.152 14.784
193 HE ARG 22 HE ARG 22 25.201 -6.263 16.210
194 HH11 ARG 22 HH11 ARG 22 27.118 -6.168 15.003
195 HH12 ARG 22 HH12 ARG 22 27.077 -6.526 13.310
196 HH21 ARG 22 HH21 ARG 22 23.668 -7.151 13.253
197 HH22 ARG 22 HH22 ARG 22 25.125 -7.082 12.320
198 H ARG 23 HN ARG 23 25.014 -7.526 20.770
199 HA ARG 23 HA ARG 23 24.081 -10.210 21.685
200 HB2 ARG 23 HB3 ARG 23 26.432 -9.755 20.657
201 HB3 ARG 23 HB2 ARG 23 26.809 -9.020 22.213
202 HG2 ARG 23 HG3 ARG 23 27.443 -11.207 22.674
203 HG3 ARG 23 HG2 ARG 23 25.751 -11.301 23.153
204 HD2 ARG 23 HD3 ARG 23 25.338 -11.950 20.651
205 HD3 ARG 23 HD2 ARG 23 27.063 -12.322 20.645
206 HE ARG 23 HE ARG 23 25.781 -13.553 22.912
207 HH11 ARG 23 HH11 ARG 23 25.442 -15.786 22.820
208 HH12 ARG 23 HH12 ARG 23 25.505 -16.595 21.290
209 HH21 ARG 23 HH21 ARG 23 26.179 -13.709 19.492
210 HH22 ARG 23 HH22 ARG 23 25.922 -15.418 19.406
211 H ARG 24 HN ARG 24 23.038 -7.607 22.778
212 HA ARG 24 HA ARG 24 24.226 -7.043 25.305
213 HB2 ARG 24 HB3 ARG 24 21.480 -6.672 24.129
214 HB3 ARG 24 HB2 ARG 24 21.687 -6.430 25.863
215 HG2 ARG 24 HG3 ARG 24 23.359 -4.728 25.500
216 HG3 ARG 24 HG2 ARG 24 23.398 -5.063 23.769
217 HD2 ARG 24 HD3 ARG 24 22.035 -3.097 24.091
218 HD3 ARG 24 HD2 ARG 24 20.954 -4.428 23.679
219 HE ARG 24 HE ARG 24 21.208 -4.280 26.524
220 HH11 ARG 24 HH11 ARG 24 19.510 -3.358 27.696
221 HH12 ARG 24 HH12 ARG 24 18.378 -2.326 26.888
222 HH21 ARG 24 HH21 ARG 24 19.909 -2.628 23.791
223 HH22 ARG 24 HH22 ARG 24 18.602 -1.914 24.676
224 H ARG 25 HN ARG 25 24.818 -9.143 26.090
225 HA ARG 25 HA ARG 25 23.035 -11.302 26.515
226 HB2 ARG 25 HB3 ARG 25 25.282 -10.682 28.432
227 HB3 ARG 25 HB2 ARG 25 24.726 -12.251 27.845
228 HG2 ARG 25 HG3 ARG 25 25.456 -11.431 25.507
229 HG3 ARG 25 HG2 ARG 25 26.324 -10.158 26.364
230 HD2 ARG 25 HD3 ARG 25 27.928 -11.878 26.114
231 HD3 ARG 25 HD2 ARG 25 27.353 -12.071 27.770
232 HE ARG 25 HE ARG 25 25.800 -13.674 25.926
233 HH11 ARG 25 HH11 ARG 25 26.133 -15.908 26.007
234 HH12 ARG 25 HH12 ARG 25 27.551 -16.532 26.782
235 HH21 ARG 25 HH21 ARG 25 28.782 -13.403 27.634
236 HH22 ARG 25 HH22 ARG 25 29.050 -15.113 27.706
Start of MODEL 8
1 H1 PHE 1 H1 PHE 1 45.377 7.046 18.196
2 H2 PHE 1 H2 PHE 1 44.893 5.427 18.012
3 H3 PHE 1 H3 PHE 1 45.029 6.105 19.565
4 HA PHE 1 HA PHE 1 42.846 6.204 17.707
5 HB2 PHE 1 HB3 PHE 1 43.259 6.760 20.656
6 HB3 PHE 1 HB2 PHE 1 41.688 6.886 19.866
7 HD1 PHE 1 HD1 PHE 1 40.875 4.827 18.508
8 HD2 PHE 1 HD2 PHE 1 44.019 4.665 21.432
9 HE1 PHE 1 HE1 PHE 1 40.569 2.374 18.704
10 HE2 PHE 1 HE2 PHE 1 43.711 2.212 21.627
11 HZ PHE 1 HZ PHE 1 41.987 1.066 20.263
12 H ILE 2 HN ILE 2 44.338 8.081 16.585
13 HA ILE 2 HA ILE 2 44.038 10.702 17.813
14 HB ILE 2 HB ILE 2 44.718 10.004 14.938
15 HG12 ILE 2 HG13 ILE 2 46.519 10.458 17.338
16 HG13 ILE 2 HG12 ILE 2 46.243 8.911 16.538
17 HG21 ILE 2 HG21 ILE 2 44.026 12.441 15.684
18 HG22 ILE 2 HG22 ILE 2 45.464 12.216 14.697
19 HG23 ILE 2 HG23 ILE 2 45.617 12.465 16.435
20 HD11 ILE 2 HD11 ILE 2 47.053 10.045 14.390
21 HD12 ILE 2 HD12 ILE 2 48.280 9.744 15.621
22 HD13 ILE 2 HD13 ILE 2 47.611 11.364 15.419
23 H HIS 3 HN HIS 3 43.126 10.598 14.474
24 HA HIS 3 HA HIS 3 40.245 10.673 15.040
25 HB2 HIS 3 HB3 HIS 3 39.957 12.940 14.113
26 HB3 HIS 3 HB2 HIS 3 40.936 12.962 15.576
27 HD1 HIS 3 HD1 HIS 3 41.260 15.302 13.706
28 HD2 HIS 3 HD2 HIS 3 43.579 11.851 13.335
29 HE1 HIS 3 HE1 HIS 3 43.367 15.970 12.471
30 HE2 HIS 3 HE2 HIS 3 44.766 13.876 12.219
31 H HIS 4 HN HIS 4 42.875 10.291 12.923
32 HA HIS 4 HA HIS 4 41.077 10.084 10.536
33 HB2 HIS 4 HB3 HIS 4 43.030 10.293 9.171
34 HB3 HIS 4 HB2 HIS 4 43.176 11.530 10.418
35 HD1 HIS 4 HD1 HIS 4 45.392 11.561 11.564
36 HD2 HIS 4 HD2 HIS 4 44.487 7.786 10.053
37 HE1 HIS 4 HE1 HIS 4 47.406 10.099 12.045
38 HE2 HIS 4 HE2 HIS 4 46.866 7.795 11.131
39 H ILE 5 HN ILE 5 42.755 8.301 12.892
40 HA ILE 5 HA ILE 5 43.054 5.890 11.261
41 HB ILE 5 HB ILE 5 43.981 4.878 13.188
42 HG12 ILE 5 HG13 ILE 5 42.206 5.330 14.822
43 HG13 ILE 5 HG12 ILE 5 43.755 5.841 15.475
44 HG21 ILE 5 HG21 ILE 5 44.572 7.846 13.391
45 HG22 ILE 5 HG22 ILE 5 45.353 6.710 12.290
46 HG23 ILE 5 HG23 ILE 5 45.582 6.549 14.030
47 HD11 ILE 5 HD11 ILE 5 42.153 7.577 15.950
48 HD12 ILE 5 HD12 ILE 5 41.626 7.618 14.279
49 HD13 ILE 5 HD13 ILE 5 43.235 8.183 14.701
50 H ILE 6 HN ILE 6 40.464 7.482 12.635
51 HA ILE 6 HA ILE 6 38.972 5.055 13.405
52 HB ILE 6 HB ILE 6 37.086 6.975 13.526
53 HG12 ILE 6 HG13 ILE 6 39.569 8.600 14.071
54 HG13 ILE 6 HG12 ILE 6 38.851 8.576 12.467
55 HG21 ILE 6 HG21 ILE 6 39.363 6.542 15.470
56 HG22 ILE 6 HG22 ILE 6 37.782 5.761 15.478
57 HG23 ILE 6 HG23 ILE 6 37.919 7.477 15.859
58 HD11 ILE 6 HD11 ILE 6 38.000 10.458 13.834
59 HD12 ILE 6 HD12 ILE 6 37.391 9.302 15.017
60 HD13 ILE 6 HD13 ILE 6 36.714 9.336 13.389
61 H GLY 7 HN GLY 7 38.531 7.686 11.014
62 HA2 GLY 7 HA3 GLY 7 36.461 6.397 9.552
63 HA3 GLY 7 HA2 GLY 7 37.542 7.627 8.888
64 H GLY 8 HN GLY 8 39.461 5.300 10.117
65 HA2 GLY 8 HA3 GLY 8 39.958 4.114 7.438
66 HA3 GLY 8 HA2 GLY 8 41.040 4.012 8.832
67 H LEU 9 HN LEU 9 38.981 3.231 10.704
68 HA LEU 9 HA LEU 9 38.192 0.520 9.704
69 HB2 LEU 9 HB3 LEU 9 38.817 -0.404 11.920
70 HB3 LEU 9 HB2 LEU 9 40.207 0.256 11.063
71 HG LEU 9 HG LEU 9 39.354 2.483 12.456
72 HD11 LEU 9 HD11 LEU 9 37.647 1.232 13.699
73 HD12 LEU 9 HD12 LEU 9 38.936 1.743 14.787
74 HD13 LEU 9 HD13 LEU 9 38.862 0.071 14.230
75 HD21 LEU 9 HD21 LEU 9 41.232 2.053 13.974
76 HD22 LEU 9 HD22 LEU 9 41.671 1.594 12.330
77 HD23 LEU 9 HD23 LEU 9 41.244 0.353 13.507
78 H PHE 10 HN PHE 10 37.672 3.199 11.924
79 HA PHE 10 HA PHE 10 35.493 2.408 13.418
80 HB2 PHE 10 HB3 PHE 10 36.674 4.684 13.303
81 HB3 PHE 10 HB2 PHE 10 35.580 5.067 11.971
82 HD1 PHE 10 HD1 PHE 10 33.405 5.848 12.420
83 HD2 PHE 10 HD2 PHE 10 35.625 3.857 15.508
84 HE1 PHE 10 HE1 PHE 10 31.629 6.418 14.061
85 HE2 PHE 10 HE2 PHE 10 33.851 4.423 17.151
86 HZ PHE 10 HZ PHE 10 31.852 5.704 16.426
87 H SER 11 HN SER 11 35.614 2.904 9.956
88 HA SER 11 HA SER 11 32.836 3.264 9.438
89 HB2 SER 11 HB3 SER 11 33.318 2.604 7.183
90 HB3 SER 11 HB2 SER 11 34.760 3.441 7.765
91 HG SER 11 HG SER 11 34.866 1.207 6.686
92 H ALA 12 HN ALA 12 34.748 0.237 9.409
93 HA ALA 12 HA ALA 12 32.275 -1.361 9.441
94 HB1 ALA 12 HB1 ALA 12 34.333 -2.140 8.225
95 HB2 ALA 12 HB2 ALA 12 33.749 -3.295 9.423
96 HB3 ALA 12 HB3 ALA 12 35.146 -2.280 9.784
97 H GLY 13 HN GLY 13 34.715 -0.136 11.607
98 HA2 GLY 13 HA3 GLY 13 34.405 -1.777 13.857
99 HA3 GLY 13 HA2 GLY 13 34.698 -0.034 13.955
100 H LYS 14 HN LYS 14 32.375 0.891 12.707
101 HA LYS 14 HA LYS 14 30.501 0.969 14.850
102 HB2 LYS 14 HB3 LYS 14 30.224 1.494 11.882
103 HB3 LYS 14 HB2 LYS 14 28.865 1.684 12.990
104 HG2 LYS 14 HG3 LYS 14 29.942 3.411 14.206
105 HG3 LYS 14 HG2 LYS 14 31.522 3.020 13.518
106 HD2 LYS 14 HD3 LYS 14 30.574 5.053 12.481
107 HD3 LYS 14 HD2 LYS 14 30.754 3.756 11.302
108 HE2 LYS 14 HE3 LYS 14 28.527 5.030 11.266
109 HE3 LYS 14 HE2 LYS 14 28.423 3.271 11.325
110 HZ1 LYS 14 HZ1 LYS 14 28.400 4.939 13.770
111 HZ2 LYS 14 HZ2 LYS 14 27.940 3.312 13.603
112 HZ3 LYS 14 HZ3 LYS 14 26.978 4.543 12.935
113 H ALA 15 HN ALA 15 30.475 -0.957 11.856
114 HA ALA 15 HA ALA 15 28.108 -2.449 12.348
115 HB1 ALA 15 HB1 ALA 15 29.008 -4.075 10.775
116 HB2 ALA 15 HB2 ALA 15 30.628 -3.408 10.974
117 HB3 ALA 15 HB3 ALA 15 29.369 -2.448 10.194
118 H ILE 16 HN ILE 16 31.477 -2.993 13.345
119 HA ILE 16 HA ILE 16 30.803 -5.539 14.599
120 HB ILE 16 HB ILE 16 33.235 -3.741 14.551
121 HG12 ILE 16 HG13 ILE 16 34.283 -5.922 13.808
122 HG13 ILE 16 HG12 ILE 16 32.668 -6.622 13.802
123 HG21 ILE 16 HG21 ILE 16 32.729 -6.030 16.467
124 HG22 ILE 16 HG22 ILE 16 33.259 -4.392 16.850
125 HG23 ILE 16 HG23 ILE 16 34.355 -5.503 16.031
126 HD11 ILE 16 HD11 ILE 16 33.469 -4.162 12.229
127 HD12 ILE 16 HD12 ILE 16 31.924 -5.009 12.140
128 HD13 ILE 16 HD13 ILE 16 33.393 -5.786 11.555
129 H HIS 17 HN HIS 17 30.883 -2.179 15.455
130 HA HIS 17 HA HIS 17 30.682 -2.620 18.317
131 HB2 HIS 17 HB3 HIS 17 30.981 -0.363 18.401
132 HB3 HIS 17 HB2 HIS 17 31.028 -0.361 16.651
133 HD1 HIS 17 HD1 HIS 17 28.927 0.465 15.394
134 HD2 HIS 17 HD2 HIS 17 28.440 0.318 19.526
135 HE1 HIS 17 HE1 HIS 17 26.758 1.660 15.892
136 HE2 HIS 17 HE2 HIS 17 26.459 1.608 18.412
137 H ARG 18 HN ARG 18 28.625 -3.145 15.738
138 HA ARG 18 HA ARG 18 26.140 -2.739 17.324
139 HB2 ARG 18 HB3 ARG 18 26.665 -3.485 14.440
140 HB3 ARG 18 HB2 ARG 18 25.061 -3.576 15.172
141 HG2 ARG 18 HG3 ARG 18 25.101 -1.227 15.720
142 HG3 ARG 18 HG2 ARG 18 26.783 -1.089 15.217
143 HD2 ARG 18 HD3 ARG 18 24.835 -0.356 13.574
144 HD3 ARG 18 HD2 ARG 18 26.255 -1.187 12.948
145 HE ARG 18 HE ARG 18 24.388 -3.182 13.645
146 HH11 ARG 18 HH11 ARG 18 23.042 -4.070 12.062
147 HH12 ARG 18 HH12 ARG 18 22.740 -3.184 10.604
148 HH21 ARG 18 HH21 ARG 18 24.720 -0.488 11.519
149 HH22 ARG 18 HH22 ARG 18 23.693 -1.157 10.296
150 H LEU 19 HN LEU 19 28.300 -5.193 16.129
151 HA LEU 19 HA LEU 19 26.639 -7.475 16.575
152 HB2 LEU 19 HB3 LEU 19 28.588 -7.990 15.386
153 HB3 LEU 19 HB2 LEU 19 29.586 -6.932 16.371
154 HG LEU 19 HG LEU 19 29.481 -8.570 18.233
155 HD11 LEU 19 HD11 LEU 19 28.114 -10.415 16.251
156 HD12 LEU 19 HD12 LEU 19 27.225 -9.534 17.489
157 HD13 LEU 19 HD13 LEU 19 28.437 -10.724 17.954
158 HD21 LEU 19 HD21 LEU 19 31.253 -8.664 16.454
159 HD22 LEU 19 HD22 LEU 19 30.285 -9.881 15.624
160 HD23 LEU 19 HD23 LEU 19 30.939 -10.217 17.227
161 H ILE 20 HN ILE 20 28.760 -5.563 18.659
162 HA ILE 20 HA ILE 20 28.421 -7.240 21.004
163 HB ILE 20 HB ILE 20 30.125 -5.874 21.690
164 HG12 ILE 20 HG13 ILE 20 28.120 -3.582 21.668
165 HG13 ILE 20 HG12 ILE 20 28.334 -4.709 23.006
166 HG21 ILE 20 HG21 ILE 20 30.782 -3.899 20.356
167 HG22 ILE 20 HG22 ILE 20 29.248 -4.003 19.510
168 HG23 ILE 20 HG23 ILE 20 30.426 -5.290 19.336
169 HD11 ILE 20 HD11 ILE 20 30.298 -2.681 21.930
170 HD12 ILE 20 HD12 ILE 20 30.792 -3.990 23.003
171 HD13 ILE 20 HD13 ILE 20 29.627 -2.786 23.557
172 H ARG 21 HN ARG 21 26.868 -4.230 19.929
173 HA ARG 21 HA ARG 21 25.075 -3.940 22.077
174 HB2 ARG 21 HB3 ARG 21 24.720 -3.275 19.145
175 HB3 ARG 21 HB2 ARG 21 23.601 -2.758 20.408
176 HG2 ARG 21 HG3 ARG 21 25.374 -1.550 21.552
177 HG3 ARG 21 HG2 ARG 21 26.568 -2.150 20.404
178 HD2 ARG 21 HD3 ARG 21 26.044 0.034 19.660
179 HD3 ARG 21 HD2 ARG 21 25.140 -1.035 18.588
180 HE ARG 21 HE ARG 21 23.140 -0.222 19.552
181 HH11 ARG 21 HH11 ARG 21 22.006 1.179 20.921
182 HH12 ARG 21 HH12 ARG 21 22.854 1.998 22.191
183 HH21 ARG 21 HH21 ARG 21 25.924 0.587 21.412
184 HH22 ARG 21 HH22 ARG 21 25.071 1.661 22.470
185 H ARG 22 HN ARG 22 24.839 -5.873 19.138
186 HA ARG 22 HA ARG 22 22.185 -6.884 19.685
187 HB2 ARG 22 HB3 ARG 22 24.470 -7.809 17.935
188 HB3 ARG 22 HB2 ARG 22 23.009 -8.783 18.111
189 HG2 ARG 22 HG3 ARG 22 21.625 -7.017 17.252
190 HG3 ARG 22 HG2 ARG 22 22.956 -5.862 17.318
191 HD2 ARG 22 HD3 ARG 22 22.467 -6.804 15.014
192 HD3 ARG 22 HD2 ARG 22 24.134 -6.988 15.559
193 HE ARG 22 HE ARG 22 22.449 -9.287 16.198
194 HH11 ARG 22 HH11 ARG 22 22.972 -11.196 15.103
195 HH12 ARG 22 HH12 ARG 22 24.018 -11.128 13.725
196 HH21 ARG 22 HH21 ARG 22 24.440 -7.691 13.880
197 HH22 ARG 22 HH22 ARG 22 24.848 -9.146 13.033
198 H ARG 23 HN ARG 23 25.323 -7.492 20.926
199 HA ARG 23 HA ARG 23 24.552 -10.111 22.100
200 HB2 ARG 23 HB3 ARG 23 26.871 -9.599 21.065
201 HB3 ARG 23 HB2 ARG 23 27.166 -8.648 22.518
202 HG2 ARG 23 HG3 ARG 23 27.975 -10.688 23.268
203 HG3 ARG 23 HG2 ARG 23 26.288 -10.893 23.723
204 HD2 ARG 23 HD3 ARG 23 25.934 -11.956 21.429
205 HD3 ARG 23 HD2 ARG 23 27.691 -11.987 21.276
206 HE ARG 23 HE ARG 23 27.051 -13.165 23.768
207 HH11 ARG 23 HH11 ARG 23 26.964 -15.416 23.948
208 HH12 ARG 23 HH12 ARG 23 26.722 -16.377 22.528
209 HH21 ARG 23 HH21 ARG 23 26.566 -13.649 20.392
210 HH22 ARG 23 HH22 ARG 23 26.497 -15.376 20.514
211 H ARG 24 HN ARG 24 23.304 -7.510 22.909
212 HA ARG 24 HA ARG 24 24.347 -6.589 25.382
213 HB2 ARG 24 HB3 ARG 24 22.379 -5.646 23.966
214 HB3 ARG 24 HB2 ARG 24 21.383 -6.815 24.828
215 HG2 ARG 24 HG3 ARG 24 21.166 -4.975 26.238
216 HG3 ARG 24 HG2 ARG 24 22.557 -5.765 26.974
217 HD2 ARG 24 HD3 ARG 24 23.000 -3.368 26.700
218 HD3 ARG 24 HD2 ARG 24 24.064 -4.294 25.643
219 HE ARG 24 HE ARG 24 22.968 -3.328 23.789
220 HH11 ARG 24 HH11 ARG 24 21.414 -1.983 22.849
221 HH12 ARG 24 HH12 ARG 24 20.100 -1.396 23.811
222 HH21 ARG 24 HH21 ARG 24 21.146 -3.005 26.698
223 HH22 ARG 24 HH22 ARG 24 19.947 -1.974 25.990
224 H ARG 25 HN ARG 25 25.097 -8.548 26.397
225 HA ARG 25 HA ARG 25 23.494 -10.792 27.027
226 HB2 ARG 25 HB3 ARG 25 25.137 -11.123 28.921
227 HB3 ARG 25 HB2 ARG 25 25.874 -10.918 27.332
228 HG2 ARG 25 HG3 ARG 25 26.303 -8.557 27.797
229 HG3 ARG 25 HG2 ARG 25 25.492 -8.698 29.358
230 HD2 ARG 25 HD3 ARG 25 27.969 -10.231 28.526
231 HD3 ARG 25 HD2 ARG 25 27.945 -8.839 29.610
232 HE ARG 25 HE ARG 25 27.146 -11.564 30.299
233 HH11 ARG 25 HH11 ARG 25 26.507 -11.868 32.444
234 HH12 ARG 25 HH12 ARG 25 26.161 -10.492 33.435
235 HH21 ARG 25 HH21 ARG 25 26.846 -8.188 30.935
236 HH22 ARG 25 HH22 ARG 25 26.355 -8.407 32.581
Start of MODEL 9
1 H1 PHE 1 H1 PHE 1 45.482 7.365 17.804
2 H2 PHE 1 H2 PHE 1 44.515 6.330 16.864
3 H3 PHE 1 H3 PHE 1 44.903 5.914 18.466
4 HA PHE 1 HA PHE 1 42.583 6.921 17.898
5 HB2 PHE 1 HB3 PHE 1 44.097 8.083 20.241
6 HB3 PHE 1 HB2 PHE 1 42.407 7.582 20.167
7 HD1 PHE 1 HD1 PHE 1 45.900 6.432 20.416
8 HD2 PHE 1 HD2 PHE 1 41.776 5.230 20.296
9 HE1 PHE 1 HE1 PHE 1 46.537 4.166 21.197
10 HE2 PHE 1 HE2 PHE 1 42.414 2.965 21.077
11 HZ PHE 1 HZ PHE 1 44.795 2.432 21.528
12 H ILE 2 HN ILE 2 44.481 8.405 16.176
13 HA ILE 2 HA ILE 2 44.383 11.187 17.041
14 HB ILE 2 HB ILE 2 44.954 10.094 14.267
15 HG12 ILE 2 HG13 ILE 2 46.967 10.816 16.410
16 HG13 ILE 2 HG12 ILE 2 46.402 9.164 16.157
17 HG21 ILE 2 HG21 ILE 2 46.075 12.633 15.444
18 HG22 ILE 2 HG22 ILE 2 44.457 12.646 14.757
19 HG23 ILE 2 HG23 ILE 2 45.832 12.204 13.752
20 HD11 ILE 2 HD11 ILE 2 47.734 10.911 14.066
21 HD12 ILE 2 HD12 ILE 2 47.153 9.266 13.807
22 HD13 ILE 2 HD13 ILE 2 48.492 9.564 14.916
23 H HIS 3 HN HIS 3 43.431 10.822 13.755
24 HA HIS 3 HA HIS 3 40.556 11.037 14.331
25 HB2 HIS 3 HB3 HIS 3 40.344 13.229 13.205
26 HB3 HIS 3 HB2 HIS 3 41.312 13.337 14.671
27 HD1 HIS 3 HD1 HIS 3 41.776 15.533 12.714
28 HD2 HIS 3 HD2 HIS 3 43.891 11.943 12.473
29 HE1 HIS 3 HE1 HIS 3 43.890 16.022 11.410
30 HE2 HIS 3 HE2 HIS 3 45.167 13.843 11.239
31 H HIS 4 HN HIS 4 43.144 10.360 12.252
32 HA HIS 4 HA HIS 4 41.322 10.017 9.900
33 HB2 HIS 4 HB3 HIS 4 43.250 10.097 8.504
34 HB3 HIS 4 HB2 HIS 4 43.456 11.405 9.667
35 HD1 HIS 4 HD1 HIS 4 45.685 11.440 10.787
36 HD2 HIS 4 HD2 HIS 4 44.658 7.613 9.501
37 HE1 HIS 4 HE1 HIS 4 47.671 9.952 11.316
38 HE2 HIS 4 HE2 HIS 4 47.056 7.617 10.536
39 H ILE 5 HN ILE 5 42.878 8.369 12.412
40 HA ILE 5 HA ILE 5 43.124 5.833 10.936
41 HB ILE 5 HB ILE 5 44.105 4.945 12.893
42 HG12 ILE 5 HG13 ILE 5 42.407 5.518 14.552
43 HG13 ILE 5 HG12 ILE 5 43.971 6.087 15.116
44 HG21 ILE 5 HG21 ILE 5 44.750 7.910 12.891
45 HG22 ILE 5 HG22 ILE 5 45.471 6.700 11.830
46 HG23 ILE 5 HG23 ILE 5 45.763 6.634 13.566
47 HD11 ILE 5 HD11 ILE 5 43.400 8.353 14.146
48 HD12 ILE 5 HD12 ILE 5 42.397 7.857 15.506
49 HD13 ILE 5 HD13 ILE 5 41.776 7.739 13.866
50 H ILE 6 HN ILE 6 40.602 7.587 12.039
51 HA ILE 6 HA ILE 6 39.038 5.302 13.121
52 HB ILE 6 HB ILE 6 37.259 7.339 13.126
53 HG12 ILE 6 HG13 ILE 6 39.805 8.877 13.615
54 HG13 ILE 6 HG12 ILE 6 39.198 8.729 11.971
55 HG21 ILE 6 HG21 ILE 6 38.218 7.950 15.420
56 HG22 ILE 6 HG22 ILE 6 39.506 6.797 15.069
57 HG23 ILE 6 HG23 ILE 6 37.832 6.249 15.157
58 HD11 ILE 6 HD11 ILE 6 38.419 10.765 13.337
59 HD12 ILE 6 HD12 ILE 6 37.417 9.624 14.232
60 HD13 ILE 6 HD13 ILE 6 37.178 9.837 12.497
61 H GLY 7 HN GLY 7 38.585 7.810 10.605
62 HA2 GLY 7 HA3 GLY 7 36.451 6.491 9.276
63 HA3 GLY 7 HA2 GLY 7 37.531 7.665 8.515
64 H GLY 8 HN GLY 8 39.440 5.342 9.790
65 HA2 GLY 8 HA3 GLY 8 39.796 4.017 7.154
66 HA3 GLY 8 HA2 GLY 8 40.942 3.970 8.501
67 H LEU 9 HN LEU 9 38.941 3.337 10.502
68 HA LEU 9 HA LEU 9 38.083 0.585 9.688
69 HB2 LEU 9 HB3 LEU 9 38.776 -0.229 11.919
70 HB3 LEU 9 HB2 LEU 9 40.145 0.390 11.000
71 HG LEU 9 HG LEU 9 39.317 2.679 12.310
72 HD11 LEU 9 HD11 LEU 9 38.835 2.150 14.621
73 HD12 LEU 9 HD12 LEU 9 39.020 0.424 14.315
74 HD13 LEU 9 HD13 LEU 9 37.659 1.300 13.621
75 HD21 LEU 9 HD21 LEU 9 41.308 0.563 13.171
76 HD22 LEU 9 HD22 LEU 9 41.195 2.146 13.942
77 HD23 LEU 9 HD23 LEU 9 41.626 2.024 12.235
78 H PHE 10 HN PHE 10 37.660 3.398 11.760
79 HA PHE 10 HA PHE 10 35.561 2.777 13.407
80 HB2 PHE 10 HB3 PHE 10 36.684 5.019 13.035
81 HB3 PHE 10 HB2 PHE 10 35.600 5.248 11.661
82 HD1 PHE 10 HD1 PHE 10 35.585 4.383 15.301
83 HD2 PHE 10 HD2 PHE 10 33.470 6.166 12.017
84 HE1 PHE 10 HE1 PHE 10 33.813 5.153 16.862
85 HE2 PHE 10 HE2 PHE 10 31.697 6.939 13.576
86 HZ PHE 10 HZ PHE 10 31.869 6.431 15.998
87 H SER 11 HN SER 11 35.436 3.038 9.901
88 HA SER 11 HA SER 11 32.598 3.196 9.609
89 HB2 SER 11 HB3 SER 11 34.679 1.923 7.805
90 HB3 SER 11 HB2 SER 11 33.006 2.229 7.339
91 HG SER 11 HG SER 11 35.135 3.959 7.614
92 H ALA 12 HN ALA 12 34.792 0.381 9.720
93 HA ALA 12 HA ALA 12 32.490 -1.463 9.802
94 HB1 ALA 12 HB1 ALA 12 34.444 -2.255 8.607
95 HB2 ALA 12 HB2 ALA 12 34.283 -3.209 10.081
96 HB3 ALA 12 HB3 ALA 12 35.481 -1.919 9.993
97 H GLY 13 HN GLY 13 34.836 0.019 11.945
98 HA2 GLY 13 HA3 GLY 13 34.572 -1.581 14.237
99 HA3 GLY 13 HA2 GLY 13 34.794 0.176 14.293
100 H LYS 14 HN LYS 14 32.480 1.003 13.010
101 HA LYS 14 HA LYS 14 30.541 1.038 15.097
102 HB2 LYS 14 HB3 LYS 14 30.318 1.515 12.115
103 HB3 LYS 14 HB2 LYS 14 28.948 1.718 13.209
104 HG2 LYS 14 HG3 LYS 14 29.986 3.488 14.381
105 HG3 LYS 14 HG2 LYS 14 31.589 3.080 13.757
106 HD2 LYS 14 HD3 LYS 14 30.596 5.096 12.660
107 HD3 LYS 14 HD2 LYS 14 30.955 3.798 11.524
108 HE2 LYS 14 HE3 LYS 14 28.219 4.025 12.774
109 HE3 LYS 14 HE2 LYS 14 28.643 4.983 11.355
110 HZ1 LYS 14 HZ1 LYS 14 27.941 3.150 10.285
111 HZ2 LYS 14 HZ2 LYS 14 28.229 2.118 11.603
112 HZ3 LYS 14 HZ3 LYS 14 29.514 2.596 10.598
113 H ALA 15 HN ALA 15 30.651 -0.887 12.105
114 HA ALA 15 HA ALA 15 28.311 -2.440 12.521
115 HB1 ALA 15 HB1 ALA 15 29.344 -4.068 11.002
116 HB2 ALA 15 HB2 ALA 15 30.909 -3.284 11.212
117 HB3 ALA 15 HB3 ALA 15 29.597 -2.429 10.403
118 H ILE 16 HN ILE 16 31.658 -2.906 13.641
119 HA ILE 16 HA ILE 16 30.987 -5.471 14.864
120 HB ILE 16 HB ILE 16 33.383 -3.622 14.970
121 HG12 ILE 16 HG13 ILE 16 34.486 -5.838 14.242
122 HG13 ILE 16 HG12 ILE 16 32.851 -6.436 13.990
123 HG21 ILE 16 HG21 ILE 16 33.314 -4.360 17.232
124 HG22 ILE 16 HG22 ILE 16 34.450 -5.446 16.432
125 HG23 ILE 16 HG23 ILE 16 32.804 -5.983 16.769
126 HD11 ILE 16 HD11 ILE 16 32.401 -4.639 12.401
127 HD12 ILE 16 HD12 ILE 16 33.863 -5.494 11.917
128 HD13 ILE 16 HD13 ILE 16 33.984 -3.930 12.721
129 H HIS 17 HN HIS 17 30.983 -2.109 15.720
130 HA HIS 17 HA HIS 17 30.665 -2.553 18.569
131 HB2 HIS 17 HB3 HIS 17 30.939 -0.294 18.650
132 HB3 HIS 17 HB2 HIS 17 31.029 -0.293 16.902
133 HD1 HIS 17 HD1 HIS 17 28.937 0.477 15.590
134 HD2 HIS 17 HD2 HIS 17 28.388 0.390 19.717
135 HE1 HIS 17 HE1 HIS 17 26.736 1.637 16.032
136 HE2 HIS 17 HE2 HIS 17 26.392 1.616 18.551
137 H ARG 18 HN ARG 18 28.727 -3.149 15.915
138 HA ARG 18 HA ARG 18 26.171 -2.762 17.385
139 HB2 ARG 18 HB3 ARG 18 26.823 -3.565 14.547
140 HB3 ARG 18 HB2 ARG 18 25.197 -3.689 15.221
141 HG2 ARG 18 HG3 ARG 18 25.187 -1.313 15.749
142 HG3 ARG 18 HG2 ARG 18 26.852 -1.154 15.196
143 HD2 ARG 18 HD3 ARG 18 24.873 -0.510 13.576
144 HD3 ARG 18 HD2 ARG 18 26.268 -1.383 12.943
145 HE ARG 18 HE ARG 18 24.588 -3.421 13.659
146 HH11 ARG 18 HH11 ARG 18 22.965 -4.259 12.324
147 HH12 ARG 18 HH12 ARG 18 22.263 -3.251 11.104
148 HH21 ARG 18 HH21 ARG 18 24.212 -0.491 11.884
149 HH22 ARG 18 HH22 ARG 18 22.971 -1.119 10.853
150 H LEU 19 HN LEU 19 28.390 -5.225 16.288
151 HA LEU 19 HA LEU 19 26.737 -7.505 16.759
152 HB2 LEU 19 HB3 LEU 19 28.713 -8.054 15.639
153 HB3 LEU 19 HB2 LEU 19 29.680 -6.943 16.596
154 HG LEU 19 HG LEU 19 29.559 -8.511 18.525
155 HD11 LEU 19 HD11 LEU 19 27.337 -9.540 17.738
156 HD12 LEU 19 HD12 LEU 19 28.549 -10.678 18.318
157 HD13 LEU 19 HD13 LEU 19 28.293 -10.469 16.587
158 HD21 LEU 19 HD21 LEU 19 30.517 -9.647 15.886
159 HD22 LEU 19 HD22 LEU 19 30.930 -10.331 17.459
160 HD23 LEU 19 HD23 LEU 19 31.455 -8.700 17.041
161 H ILE 20 HN ILE 20 28.787 -5.527 18.856
162 HA ILE 20 HA ILE 20 28.391 -7.169 21.216
163 HB ILE 20 HB ILE 20 30.084 -5.786 21.905
164 HG12 ILE 20 HG13 ILE 20 28.055 -3.514 21.858
165 HG13 ILE 20 HG12 ILE 20 28.250 -4.646 23.194
166 HG21 ILE 20 HG21 ILE 20 30.434 -5.197 19.576
167 HG22 ILE 20 HG22 ILE 20 30.696 -3.771 20.576
168 HG23 ILE 20 HG23 ILE 20 29.194 -3.966 19.688
169 HD11 ILE 20 HD11 ILE 20 29.494 -2.638 23.709
170 HD12 ILE 20 HD12 ILE 20 30.292 -2.676 22.136
171 HD13 ILE 20 HD13 ILE 20 30.656 -3.912 23.339
172 H ARG 21 HN ARG 21 26.871 -4.164 20.079
173 HA ARG 21 HA ARG 21 25.006 -3.859 22.161
174 HB2 ARG 21 HB3 ARG 21 24.723 -3.221 19.210
175 HB3 ARG 21 HB2 ARG 21 23.601 -2.662 20.453
176 HG2 ARG 21 HG3 ARG 21 25.300 -1.385 21.547
177 HG3 ARG 21 HG2 ARG 21 26.577 -2.146 20.602
178 HD2 ARG 21 HD3 ARG 21 26.097 -0.891 18.697
179 HD3 ARG 21 HD2 ARG 21 24.416 -0.638 19.156
180 HE ARG 21 HE ARG 21 26.628 1.066 19.854
181 HH11 ARG 21 HH11 ARG 21 26.193 2.774 21.277
182 HH12 ARG 21 HH12 ARG 21 24.745 2.743 22.226
183 HH21 ARG 21 HH21 ARG 21 23.659 -0.293 20.951
184 HH22 ARG 21 HH22 ARG 21 23.310 1.006 22.041
185 H ARG 22 HN ARG 22 24.837 -5.808 19.221
186 HA ARG 22 HA ARG 22 22.170 -6.811 19.748
187 HB2 ARG 22 HB3 ARG 22 24.460 -7.729 18.000
188 HB3 ARG 22 HB2 ARG 22 22.996 -8.701 18.166
189 HG2 ARG 22 HG3 ARG 22 21.620 -6.920 17.313
190 HG3 ARG 22 HG2 ARG 22 22.964 -5.778 17.373
191 HD2 ARG 22 HD3 ARG 22 22.585 -6.598 15.072
192 HD3 ARG 22 HD2 ARG 22 24.169 -7.083 15.676
193 HE ARG 22 HE ARG 22 22.205 -9.127 16.217
194 HH11 ARG 22 HH11 ARG 22 22.303 -10.999 14.949
195 HH12 ARG 22 HH12 ARG 22 23.187 -10.975 13.460
196 HH21 ARG 22 HH21 ARG 22 24.145 -7.657 13.775
197 HH22 ARG 22 HH22 ARG 22 24.228 -9.084 12.795
198 H ARG 23 HN ARG 23 25.268 -7.362 21.053
199 HA ARG 23 HA ARG 23 24.482 -9.987 22.245
200 HB2 ARG 23 HB3 ARG 23 26.767 -9.552 21.061
201 HB3 ARG 23 HB2 ARG 23 27.183 -8.661 22.522
202 HG2 ARG 23 HG3 ARG 23 27.928 -10.764 23.155
203 HG3 ARG 23 HG2 ARG 23 26.262 -10.877 23.720
204 HD2 ARG 23 HD3 ARG 23 25.692 -11.848 21.432
205 HD3 ARG 23 HD2 ARG 23 27.428 -11.968 21.150
206 HE ARG 23 HE ARG 23 26.595 -13.203 23.658
207 HH11 ARG 23 HH11 ARG 23 26.799 -15.456 23.743
208 HH12 ARG 23 HH12 ARG 23 27.036 -16.344 22.274
209 HH21 ARG 23 HH21 ARG 23 26.984 -13.531 20.250
210 HH22 ARG 23 HH22 ARG 23 27.141 -15.255 20.299
211 H ARG 24 HN ARG 24 23.320 -7.420 23.152
212 HA ARG 24 HA ARG 24 24.594 -6.422 25.483
213 HB2 ARG 24 HB3 ARG 24 22.162 -5.894 26.195
214 HB3 ARG 24 HB2 ARG 24 22.753 -5.167 24.700
215 HG2 ARG 24 HG3 ARG 24 21.560 -6.681 23.340
216 HG3 ARG 24 HG2 ARG 24 21.332 -7.830 24.658
217 HD2 ARG 24 HD3 ARG 24 19.237 -6.648 24.228
218 HD3 ARG 24 HD2 ARG 24 19.869 -6.182 25.808
219 HE ARG 24 HE ARG 24 20.773 -4.371 23.739
220 HH11 ARG 24 HH11 ARG 24 19.854 -2.305 23.740
221 HH12 ARG 24 HH12 ARG 24 18.393 -2.022 24.625
222 HH21 ARG 24 HH21 ARG 24 18.129 -5.290 25.753
223 HH22 ARG 24 HH22 ARG 24 17.415 -3.712 25.763
224 H ARG 25 HN ARG 25 25.476 -8.419 26.406
225 HA ARG 25 HA ARG 25 23.907 -10.592 27.341
226 HB2 ARG 25 HB3 ARG 25 26.378 -9.544 28.735
227 HB3 ARG 25 HB2 ARG 25 25.808 -11.211 28.643
228 HG2 ARG 25 HG3 ARG 25 26.091 -11.020 26.109
229 HG3 ARG 25 HG2 ARG 25 26.971 -9.524 26.420
230 HD2 ARG 25 HD3 ARG 25 28.576 -10.730 27.827
231 HD3 ARG 25 HD2 ARG 25 27.678 -12.231 27.593
232 HE ARG 25 HE ARG 25 28.301 -11.317 25.017
233 HH11 ARG 25 HH11 ARG 25 30.145 -12.060 23.940
234 HH12 ARG 25 HH12 ARG 25 31.472 -12.689 24.856
235 HH21 ARG 25 HH21 ARG 25 29.934 -12.188 27.925
236 HH22 ARG 25 HH22 ARG 25 31.353 -12.761 27.113
Start of MODEL 10
1 H1 PHE 1 H1 PHE 1 44.637 5.643 18.871
2 H2 PHE 1 H2 PHE 1 45.079 7.143 18.206
3 H3 PHE 1 H3 PHE 1 44.261 5.997 17.256
4 HA PHE 1 HA PHE 1 42.248 6.480 18.112
5 HB2 PHE 1 HB3 PHE 1 41.921 7.173 20.456
6 HB3 PHE 1 HB2 PHE 1 42.899 5.707 20.369
7 HD1 PHE 1 HD1 PHE 1 45.413 5.884 20.553
8 HD2 PHE 1 HD2 PHE 1 42.797 9.188 21.382
9 HE1 PHE 1 HE1 PHE 1 47.244 7.027 21.773
10 HE2 PHE 1 HE2 PHE 1 44.628 10.332 22.601
11 HZ PHE 1 HZ PHE 1 46.851 9.251 22.798
12 H ILE 2 HN ILE 2 44.122 8.219 16.689
13 HA ILE 2 HA ILE 2 43.807 10.904 17.790
14 HB ILE 2 HB ILE 2 44.624 10.085 14.987
15 HG12 ILE 2 HG13 ILE 2 46.098 8.970 16.539
16 HG13 ILE 2 HG12 ILE 2 46.962 10.352 15.873
17 HG21 ILE 2 HG21 ILE 2 43.971 12.553 15.621
18 HG22 ILE 2 HG22 ILE 2 45.451 12.260 14.716
19 HG23 ILE 2 HG23 ILE 2 45.525 12.561 16.451
20 HD11 ILE 2 HD11 ILE 2 46.044 11.620 17.973
21 HD12 ILE 2 HD12 ILE 2 47.415 10.530 18.166
22 HD13 ILE 2 HD13 ILE 2 45.798 10.001 18.627
23 H HIS 3 HN HIS 3 43.117 10.762 14.420
24 HA HIS 3 HA HIS 3 40.199 10.836 14.811
25 HB2 HIS 3 HB3 HIS 3 39.994 13.072 13.779
26 HB3 HIS 3 HB2 HIS 3 40.854 13.130 15.313
27 HD1 HIS 3 HD1 HIS 3 41.380 15.432 13.494
28 HD2 HIS 3 HD2 HIS 3 43.623 11.922 13.237
29 HE1 HIS 3 HE1 HIS 3 43.563 16.047 12.372
30 HE2 HIS 3 HE2 HIS 3 44.925 13.919 12.200
31 H HIS 4 HN HIS 4 42.928 10.331 12.867
32 HA HIS 4 HA HIS 4 41.261 10.068 10.390
33 HB2 HIS 4 HB3 HIS 4 43.260 10.295 9.114
34 HB3 HIS 4 HB2 HIS 4 43.347 11.543 10.354
35 HD1 HIS 4 HD1 HIS 4 45.499 11.593 11.621
36 HD2 HIS 4 HD2 HIS 4 44.709 7.818 10.047
37 HE1 HIS 4 HE1 HIS 4 47.513 10.154 12.176
38 HE2 HIS 4 HE2 HIS 4 47.045 7.851 11.220
39 H ILE 5 HN ILE 5 42.778 8.339 12.876
40 HA ILE 5 HA ILE 5 43.168 5.901 11.276
41 HB ILE 5 HB ILE 5 44.089 4.936 13.225
42 HG12 ILE 5 HG13 ILE 5 42.291 5.348 14.823
43 HG13 ILE 5 HG12 ILE 5 43.805 5.935 15.499
44 HG21 ILE 5 HG21 ILE 5 45.445 6.790 12.345
45 HG22 ILE 5 HG22 ILE 5 45.641 6.642 14.090
46 HG23 ILE 5 HG23 ILE 5 44.621 7.915 13.424
47 HD11 ILE 5 HD11 ILE 5 42.128 7.614 15.907
48 HD12 ILE 5 HD12 ILE 5 41.624 7.594 14.227
49 HD13 ILE 5 HD13 ILE 5 43.203 8.237 14.658
50 H ILE 6 HN ILE 6 40.537 7.513 12.342
51 HA ILE 6 HA ILE 6 39.005 5.125 13.223
52 HB ILE 6 HB ILE 6 37.154 7.103 13.243
53 HG12 ILE 6 HG13 ILE 6 39.619 8.683 13.959
54 HG13 ILE 6 HG12 ILE 6 39.102 8.615 12.278
55 HG21 ILE 6 HG21 ILE 6 37.955 7.602 15.618
56 HG22 ILE 6 HG22 ILE 6 39.308 6.521 15.280
57 HG23 ILE 6 HG23 ILE 6 37.655 5.907 15.234
58 HD11 ILE 6 HD11 ILE 6 36.989 9.586 12.787
59 HD12 ILE 6 HD12 ILE 6 38.176 10.550 13.665
60 HD13 ILE 6 HD13 ILE 6 37.215 9.344 14.519
61 H GLY 7 HN GLY 7 38.634 7.737 10.805
62 HA2 GLY 7 HA3 GLY 7 36.562 6.485 9.325
63 HA3 GLY 7 HA2 GLY 7 37.683 7.680 8.661
64 H GLY 8 HN GLY 8 39.534 5.319 9.920
65 HA2 GLY 8 HA3 GLY 8 40.024 4.110 7.252
66 HA3 GLY 8 HA2 GLY 8 41.081 3.972 8.663
67 H LEU 9 HN LEU 9 38.908 3.268 10.473
68 HA LEU 9 HA LEU 9 38.018 0.612 9.441
69 HB2 LEU 9 HB3 LEU 9 38.689 -0.425 11.601
70 HB3 LEU 9 HB2 LEU 9 40.064 0.168 10.676
71 HG LEU 9 HG LEU 9 39.483 2.403 12.171
72 HD11 LEU 9 HD11 LEU 9 37.733 1.312 13.480
73 HD12 LEU 9 HD12 LEU 9 39.128 1.619 14.512
74 HD13 LEU 9 HD13 LEU 9 38.828 -0.005 13.898
75 HD21 LEU 9 HD21 LEU 9 41.714 1.512 11.992
76 HD22 LEU 9 HD22 LEU 9 41.263 0.052 12.871
77 HD23 LEU 9 HD23 LEU 9 41.329 1.600 13.711
78 H PHE 10 HN PHE 10 37.654 3.279 11.690
79 HA PHE 10 HA PHE 10 35.581 2.567 13.337
80 HB2 PHE 10 HB3 PHE 10 36.702 4.819 13.093
81 HB3 PHE 10 HB2 PHE 10 35.629 5.131 11.728
82 HD1 PHE 10 HD1 PHE 10 35.542 4.001 15.300
83 HD2 PHE 10 HD2 PHE 10 33.535 6.101 12.137
84 HE1 PHE 10 HE1 PHE 10 33.756 4.681 16.886
85 HE2 PHE 10 HE2 PHE 10 31.748 6.783 13.721
86 HZ PHE 10 HZ PHE 10 31.860 6.072 16.096
87 H SER 11 HN SER 11 35.418 3.029 9.853
88 HA SER 11 HA SER 11 32.588 3.233 9.577
89 HB2 SER 11 HB3 SER 11 34.349 3.529 7.745
90 HB3 SER 11 HB2 SER 11 34.416 1.769 7.653
91 HG SER 11 HG SER 11 32.773 3.262 6.379
92 H ALA 12 HN ALA 12 34.720 0.371 9.584
93 HA ALA 12 HA ALA 12 32.388 -1.432 9.640
94 HB1 ALA 12 HB1 ALA 12 34.505 -2.076 8.457
95 HB2 ALA 12 HB2 ALA 12 34.023 -3.234 9.696
96 HB3 ALA 12 HB3 ALA 12 35.325 -2.089 10.018
97 H GLY 13 HN GLY 13 34.781 -0.036 11.797
98 HA2 GLY 13 HA3 GLY 13 34.501 -1.643 14.075
99 HA3 GLY 13 HA2 GLY 13 34.730 0.111 14.148
100 H LYS 14 HN LYS 14 32.396 0.948 12.883
101 HA LYS 14 HA LYS 14 30.492 0.980 14.996
102 HB2 LYS 14 HB3 LYS 14 30.257 1.499 12.026
103 HB3 LYS 14 HB2 LYS 14 28.868 1.650 13.103
104 HG2 LYS 14 HG3 LYS 14 29.872 3.401 14.346
105 HG3 LYS 14 HG2 LYS 14 31.477 3.057 13.690
106 HD2 LYS 14 HD3 LYS 14 30.397 5.080 12.675
107 HD3 LYS 14 HD2 LYS 14 30.812 3.835 11.496
108 HE2 LYS 14 HE3 LYS 14 28.555 3.115 11.299
109 HE3 LYS 14 HE2 LYS 14 28.071 3.979 12.758
110 HZ1 LYS 14 HZ1 LYS 14 28.735 5.076 10.101
111 HZ2 LYS 14 HZ2 LYS 14 28.817 6.049 11.491
112 HZ3 LYS 14 HZ3 LYS 14 27.345 5.331 11.038
113 H ALA 15 HN ALA 15 30.564 -0.947 12.007
114 HA ALA 15 HA ALA 15 28.211 -2.479 12.443
115 HB1 ALA 15 HB1 ALA 15 29.482 -2.479 10.316
116 HB2 ALA 15 HB2 ALA 15 29.219 -4.115 10.918
117 HB3 ALA 15 HB3 ALA 15 30.792 -3.343 11.116
118 H ILE 16 HN ILE 16 31.568 -2.964 13.526
119 HA ILE 16 HA ILE 16 30.892 -5.519 14.766
120 HB ILE 16 HB ILE 16 33.302 -3.684 14.841
121 HG12 ILE 16 HG13 ILE 16 34.392 -5.870 14.085
122 HG13 ILE 16 HG12 ILE 16 32.765 -6.519 13.915
123 HG21 ILE 16 HG21 ILE 16 34.370 -5.512 16.298
124 HG22 ILE 16 HG22 ILE 16 32.725 -6.041 16.649
125 HG23 ILE 16 HG23 ILE 16 33.248 -4.422 17.109
126 HD11 ILE 16 HD11 ILE 16 32.197 -4.798 12.295
127 HD12 ILE 16 HD12 ILE 16 33.690 -5.584 11.785
128 HD13 ILE 16 HD13 ILE 16 33.748 -3.999 12.554
129 H HIS 17 HN HIS 17 30.921 -2.152 15.619
130 HA HIS 17 HA HIS 17 30.630 -2.590 18.471
131 HB2 HIS 17 HB3 HIS 17 30.904 -0.330 18.553
132 HB3 HIS 17 HB2 HIS 17 30.994 -0.335 16.803
133 HD1 HIS 17 HD1 HIS 17 28.919 0.480 15.493
134 HD2 HIS 17 HD2 HIS 17 28.321 0.319 19.612
135 HE1 HIS 17 HE1 HIS 17 26.733 1.665 15.934
136 HE2 HIS 17 HE2 HIS 17 26.356 1.591 18.444
137 H ARG 18 HN ARG 18 28.660 -3.165 15.837
138 HA ARG 18 HA ARG 18 26.125 -2.771 17.344
139 HB2 ARG 18 HB3 ARG 18 26.740 -3.506 14.478
140 HB3 ARG 18 HB2 ARG 18 25.116 -3.629 15.163
141 HG2 ARG 18 HG3 ARG 18 25.088 -1.285 15.714
142 HG3 ARG 18 HG2 ARG 18 26.788 -1.111 15.283
143 HD2 ARG 18 HD3 ARG 18 24.887 -0.408 13.564
144 HD3 ARG 18 HD2 ARG 18 26.358 -1.192 12.994
145 HE ARG 18 HE ARG 18 24.429 -3.197 13.634
146 HH11 ARG 18 HH11 ARG 18 23.299 -4.175 11.935
147 HH12 ARG 18 HH12 ARG 18 23.233 -3.390 10.391
148 HH21 ARG 18 HH21 ARG 18 25.130 -0.665 11.401
149 HH22 ARG 18 HH22 ARG 18 24.271 -1.401 10.089
150 H LEU 19 HN LEU 19 28.327 -5.215 16.212
151 HA LEU 19 HA LEU 19 26.675 -7.504 16.633
152 HB2 LEU 19 HB3 LEU 19 28.675 -7.994 15.513
153 HB3 LEU 19 HB2 LEU 19 29.631 -6.949 16.555
154 HG LEU 19 HG LEU 19 29.434 -8.598 18.393
155 HD11 LEU 19 HD11 LEU 19 28.414 -10.773 18.008
156 HD12 LEU 19 HD12 LEU 19 28.083 -10.367 16.324
157 HD13 LEU 19 HD13 LEU 19 27.214 -9.545 17.616
158 HD21 LEU 19 HD21 LEU 19 30.932 -10.234 17.455
159 HD22 LEU 19 HD22 LEU 19 31.268 -8.695 16.662
160 HD23 LEU 19 HD23 LEU 19 30.328 -9.931 15.826
161 H ILE 20 HN ILE 20 28.731 -5.567 18.768
162 HA ILE 20 HA ILE 20 28.301 -7.219 21.113
163 HB ILE 20 HB ILE 20 29.985 -5.851 21.844
164 HG12 ILE 20 HG13 ILE 20 27.972 -3.566 21.766
165 HG13 ILE 20 HG12 ILE 20 28.151 -4.697 23.106
166 HG21 ILE 20 HG21 ILE 20 29.179 -3.961 19.650
167 HG22 ILE 20 HG22 ILE 20 30.351 -5.257 19.494
168 HG23 ILE 20 HG23 ILE 20 30.691 -3.882 20.539
169 HD11 ILE 20 HD11 ILE 20 29.384 -2.661 23.602
170 HD12 ILE 20 HD12 ILE 20 30.232 -2.760 22.059
171 HD13 ILE 20 HD13 ILE 20 30.537 -3.964 23.312
172 H ARG 21 HN ARG 21 26.789 -4.198 19.987
173 HA ARG 21 HA ARG 21 24.920 -3.896 22.057
174 HB2 ARG 21 HB3 ARG 21 24.664 -3.280 19.106
175 HB3 ARG 21 HB2 ARG 21 23.484 -2.766 20.315
176 HG2 ARG 21 HG3 ARG 21 25.187 -1.523 21.520
177 HG3 ARG 21 HG2 ARG 21 26.438 -2.116 20.431
178 HD2 ARG 21 HD3 ARG 21 25.879 0.080 19.681
179 HD3 ARG 21 HD2 ARG 21 25.137 -1.039 18.541
180 HE ARG 21 HE ARG 21 22.998 -0.398 19.350
181 HH11 ARG 21 HH11 ARG 21 21.669 0.992 20.536
182 HH12 ARG 21 HH12 ARG 21 22.359 1.973 21.785
183 HH21 ARG 21 HH21 ARG 21 25.583 0.795 21.301
184 HH22 ARG 21 HH22 ARG 21 24.573 1.863 22.215
185 H ARG 22 HN ARG 22 24.841 -5.934 19.193
186 HA ARG 22 HA ARG 22 22.159 -6.938 19.671
187 HB2 ARG 22 HB3 ARG 22 24.476 -7.934 17.996
188 HB3 ARG 22 HB2 ARG 22 22.930 -8.781 18.082
189 HG2 ARG 22 HG3 ARG 22 21.748 -6.886 17.194
190 HG3 ARG 22 HG2 ARG 22 23.174 -5.857 17.340
191 HD2 ARG 22 HD3 ARG 22 22.881 -6.581 15.015
192 HD3 ARG 22 HD2 ARG 22 24.353 -7.277 15.693
193 HE ARG 22 HE ARG 22 22.360 -9.180 16.162
194 HH11 ARG 22 HH11 ARG 22 21.991 -10.872 14.713
195 HH12 ARG 22 HH12 ARG 22 22.470 -10.699 13.059
196 HH21 ARG 22 HH21 ARG 22 23.734 -7.499 13.483
197 HH22 ARG 22 HH22 ARG 22 23.458 -8.790 12.361
198 H ARG 23 HN ARG 23 25.251 -7.474 21.018
199 HA ARG 23 HA ARG 23 24.477 -10.115 22.173
200 HB2 ARG 23 HB3 ARG 23 26.769 -9.663 21.062
201 HB3 ARG 23 HB2 ARG 23 27.135 -8.709 22.496
202 HG2 ARG 23 HG3 ARG 23 27.888 -10.719 23.329
203 HG3 ARG 23 HG2 ARG 23 26.185 -10.989 23.686
204 HD2 ARG 23 HD3 ARG 23 25.906 -12.165 21.545
205 HD3 ARG 23 HD2 ARG 23 27.597 -11.859 21.145
206 HE ARG 23 HE ARG 23 27.207 -13.271 23.683
207 HH11 ARG 23 HH11 ARG 23 28.036 -15.373 23.735
208 HH12 ARG 23 HH12 ARG 23 28.492 -16.147 22.255
209 HH21 ARG 23 HH21 ARG 23 27.621 -13.444 20.265
210 HH22 ARG 23 HH22 ARG 23 28.259 -15.053 20.290
211 H ARG 24 HN ARG 24 23.340 -7.453 23.045
212 HA ARG 24 HA ARG 24 24.522 -6.641 25.506
213 HB2 ARG 24 HB3 ARG 24 21.761 -6.448 24.324
214 HB3 ARG 24 HB2 ARG 24 21.974 -6.047 26.027
215 HG2 ARG 24 HG3 ARG 24 23.635 -4.363 25.480
216 HG3 ARG 24 HG2 ARG 24 23.599 -4.824 23.779
217 HD2 ARG 24 HD3 ARG 24 22.228 -2.792 24.239
218 HD3 ARG 24 HD2 ARG 24 21.262 -4.125 23.604
219 HE ARG 24 HE ARG 24 20.162 -4.269 25.697
220 HH11 ARG 24 HH11 ARG 24 19.757 -3.531 27.796
221 HH12 ARG 24 HH12 ARG 24 20.866 -2.429 28.541
222 HH21 ARG 24 HH21 ARG 24 23.006 -2.323 25.816
223 HH22 ARG 24 HH22 ARG 24 22.704 -1.745 27.421
224 H ARG 25 HN ARG 25 25.171 -8.642 26.473
225 HA ARG 25 HA ARG 25 23.458 -10.808 27.098
226 HB2 ARG 25 HB3 ARG 25 25.125 -11.442 28.748
227 HB3 ARG 25 HB2 ARG 25 25.957 -10.804 27.331
228 HG2 ARG 25 HG3 ARG 25 25.942 -8.538 28.517
229 HG3 ARG 25 HG2 ARG 25 25.454 -9.413 29.968
230 HD2 ARG 25 HD3 ARG 25 27.494 -10.931 29.515
231 HD3 ARG 25 HD2 ARG 25 28.025 -9.663 28.410
232 HE ARG 25 HE ARG 25 27.334 -8.660 31.062
233 HH11 ARG 25 HH11 ARG 25 29.063 -7.873 32.284
234 HH12 ARG 25 HH12 ARG 25 30.687 -8.226 31.791
235 HH21 ARG 25 HH21 ARG 25 29.724 -10.065 29.013
236 HH22 ARG 25 HH22 ARG 25 31.059 -9.468 29.941
Start of MODEL 11
1 H1 PHE 1 H1 PHE 1 45.150 5.291 18.644
2 H2 PHE 1 H2 PHE 1 45.139 6.525 17.476
3 H3 PHE 1 H3 PHE 1 44.297 5.077 17.193
4 HA PHE 1 HA PHE 1 42.479 5.935 18.081
5 HB2 PHE 1 HB3 PHE 1 42.581 6.602 20.530
6 HB3 PHE 1 HB2 PHE 1 43.163 4.975 20.177
7 HD1 PHE 1 HD1 PHE 1 44.121 8.383 21.171
8 HD2 PHE 1 HD2 PHE 1 45.558 4.446 20.232
9 HE1 PHE 1 HE1 PHE 1 46.328 8.955 22.147
10 HE2 PHE 1 HE2 PHE 1 47.764 5.017 21.209
11 HZ PHE 1 HZ PHE 1 48.150 7.272 22.166
12 H ILE 2 HN ILE 2 44.307 7.730 16.611
13 HA ILE 2 HA ILE 2 44.127 10.324 17.964
14 HB ILE 2 HB ILE 2 44.889 9.713 15.091
15 HG12 ILE 2 HG13 ILE 2 46.571 9.921 17.606
16 HG13 ILE 2 HG12 ILE 2 46.331 8.477 16.620
17 HG21 ILE 2 HG21 ILE 2 45.776 11.896 15.007
18 HG22 ILE 2 HG22 ILE 2 45.795 12.060 16.763
19 HG23 ILE 2 HG23 ILE 2 44.271 12.134 15.889
20 HD11 ILE 2 HD11 ILE 2 48.435 9.375 15.939
21 HD12 ILE 2 HD12 ILE 2 47.792 11.016 15.867
22 HD13 ILE 2 HD13 ILE 2 47.294 9.820 14.669
23 H HIS 3 HN HIS 3 43.358 10.424 14.602
24 HA HIS 3 HA HIS 3 40.452 10.580 15.060
25 HB2 HIS 3 HB3 HIS 3 40.307 12.881 14.161
26 HB3 HIS 3 HB2 HIS 3 41.199 12.824 15.678
27 HD1 HIS 3 HD1 HIS 3 41.761 15.208 13.975
28 HD2 HIS 3 HD2 HIS 3 43.887 11.649 13.487
29 HE1 HIS 3 HE1 HIS 3 43.946 15.814 12.847
30 HE2 HIS 3 HE2 HIS 3 45.233 13.657 12.533
31 H HIS 4 HN HIS 4 43.139 10.101 13.061
32 HA HIS 4 HA HIS 4 41.453 10.024 10.587
33 HB2 HIS 4 HB3 HIS 4 43.462 10.180 9.321
34 HB3 HIS 4 HB2 HIS 4 43.655 11.345 10.627
35 HD1 HIS 4 HD1 HIS 4 45.827 11.161 11.845
36 HD2 HIS 4 HD2 HIS 4 44.709 7.535 10.124
37 HE1 HIS 4 HE1 HIS 4 47.719 9.537 12.308
38 HE2 HIS 4 HE2 HIS 4 47.049 7.324 11.262
39 H ILE 5 HN ILE 5 42.775 8.124 13.031
40 HA ILE 5 HA ILE 5 43.053 5.705 11.377
41 HB ILE 5 HB ILE 5 43.865 4.639 13.323
42 HG12 ILE 5 HG13 ILE 5 42.063 5.162 14.901
43 HG13 ILE 5 HG12 ILE 5 43.607 5.611 15.610
44 HG21 ILE 5 HG21 ILE 5 44.595 7.568 13.608
45 HG22 ILE 5 HG22 ILE 5 45.334 6.439 12.474
46 HG23 ILE 5 HG23 ILE 5 45.532 6.202 14.210
47 HD11 ILE 5 HD11 ILE 5 42.079 7.416 16.035
48 HD12 ILE 5 HD12 ILE 5 41.578 7.461 14.353
49 HD13 ILE 5 HD13 ILE 5 43.201 7.973 14.796
50 H ILE 6 HN ILE 6 40.510 7.451 12.519
51 HA ILE 6 HA ILE 6 38.832 5.146 13.313
52 HB ILE 6 HB ILE 6 37.077 7.198 13.278
53 HG12 ILE 6 HG13 ILE 6 39.639 8.646 13.954
54 HG13 ILE 6 HG12 ILE 6 39.025 8.639 12.306
55 HG21 ILE 6 HG21 ILE 6 39.201 6.810 15.406
56 HG22 ILE 6 HG22 ILE 6 37.711 5.878 15.257
57 HG23 ILE 6 HG23 ILE 6 37.640 7.598 15.640
58 HD11 ILE 6 HD11 ILE 6 37.276 9.404 14.640
59 HD12 ILE 6 HD12 ILE 6 37.024 9.740 12.928
60 HD13 ILE 6 HD13 ILE 6 38.291 10.586 13.815
61 H GLY 7 HN GLY 7 38.608 7.756 10.870
62 HA2 GLY 7 HA3 GLY 7 36.569 6.520 9.329
63 HA3 GLY 7 HA2 GLY 7 37.732 7.693 8.694
64 H GLY 8 HN GLY 8 39.525 5.350 10.039
65 HA2 GLY 8 HA3 GLY 8 40.085 4.079 7.417
66 HA3 GLY 8 HA2 GLY 8 41.095 3.962 8.864
67 H LEU 9 HN LEU 9 38.908 3.283 10.646
68 HA LEU 9 HA LEU 9 38.051 0.604 9.624
69 HB2 LEU 9 HB3 LEU 9 38.563 -0.355 11.861
70 HB3 LEU 9 HB2 LEU 9 40.001 0.203 11.016
71 HG LEU 9 HG LEU 9 39.334 2.488 12.387
72 HD11 LEU 9 HD11 LEU 9 38.524 0.148 14.142
73 HD12 LEU 9 HD12 LEU 9 37.482 1.464 13.607
74 HD13 LEU 9 HD13 LEU 9 38.803 1.787 14.725
75 HD21 LEU 9 HD21 LEU 9 41.553 1.375 12.334
76 HD22 LEU 9 HD22 LEU 9 40.972 0.190 13.504
77 HD23 LEU 9 HD23 LEU 9 41.117 1.885 13.967
78 H PHE 10 HN PHE 10 37.534 3.338 11.761
79 HA PHE 10 HA PHE 10 35.352 2.688 13.282
80 HB2 PHE 10 HB3 PHE 10 36.473 4.934 13.042
81 HB3 PHE 10 HB2 PHE 10 35.518 5.185 11.580
82 HD1 PHE 10 HD1 PHE 10 35.265 4.471 15.227
83 HD2 PHE 10 HD2 PHE 10 33.265 5.896 11.706
84 HE1 PHE 10 HE1 PHE 10 33.349 5.220 16.621
85 HE2 PHE 10 HE2 PHE 10 31.349 6.648 13.096
86 HZ PHE 10 HZ PHE 10 31.392 6.309 15.554
87 H SER 11 HN SER 11 35.405 3.069 9.780
88 HA SER 11 HA SER 11 32.595 3.222 9.331
89 HB2 SER 11 HB3 SER 11 34.558 1.761 7.546
90 HB3 SER 11 HB2 SER 11 33.066 2.576 7.069
91 HG SER 11 HG SER 11 35.462 3.730 8.067
92 H ALA 12 HN ALA 12 34.763 0.393 9.548
93 HA ALA 12 HA ALA 12 32.451 -1.442 9.476
94 HB1 ALA 12 HB1 ALA 12 34.702 -2.035 8.465
95 HB2 ALA 12 HB2 ALA 12 34.072 -3.219 9.609
96 HB3 ALA 12 HB3 ALA 12 35.340 -2.100 10.108
97 H GLY 13 HN GLY 13 34.680 0.025 11.751
98 HA2 GLY 13 HA3 GLY 13 34.297 -1.535 14.040
99 HA3 GLY 13 HA2 GLY 13 34.481 0.225 14.088
100 H LYS 14 HN LYS 14 32.216 0.988 12.676
101 HA LYS 14 HA LYS 14 30.179 1.063 14.642
102 HB2 LYS 14 HB3 LYS 14 30.062 1.320 11.629
103 HB3 LYS 14 HB2 LYS 14 28.649 1.567 12.657
104 HG2 LYS 14 HG3 LYS 14 29.607 3.440 13.735
105 HG3 LYS 14 HG2 LYS 14 31.237 3.031 13.190
106 HD2 LYS 14 HD3 LYS 14 30.338 4.915 11.888
107 HD3 LYS 14 HD2 LYS 14 30.571 3.501 10.859
108 HE2 LYS 14 HE3 LYS 14 28.246 3.006 10.831
109 HE3 LYS 14 HE2 LYS 14 27.920 4.093 12.182
110 HZ1 LYS 14 HZ1 LYS 14 28.046 5.926 10.867
111 HZ2 LYS 14 HZ2 LYS 14 27.481 4.813 9.712
112 HZ3 LYS 14 HZ3 LYS 14 29.131 5.220 9.768
113 H ALA 15 HN ALA 15 30.414 -1.035 11.766
114 HA ALA 15 HA ALA 15 28.123 -2.638 12.266
115 HB1 ALA 15 HB1 ALA 15 30.746 -3.328 10.926
116 HB2 ALA 15 HB2 ALA 15 29.264 -2.790 10.136
117 HB3 ALA 15 HB3 ALA 15 29.327 -4.374 10.909
118 H ILE 16 HN ILE 16 31.489 -2.940 13.396
119 HA ILE 16 HA ILE 16 30.885 -5.452 14.761
120 HB ILE 16 HB ILE 16 33.231 -3.524 14.894
121 HG12 ILE 16 HG13 ILE 16 34.376 -5.720 14.063
122 HG13 ILE 16 HG12 ILE 16 32.743 -6.257 13.690
123 HG21 ILE 16 HG21 ILE 16 33.136 -4.409 17.102
124 HG22 ILE 16 HG22 ILE 16 34.311 -5.418 16.259
125 HG23 ILE 16 HG23 ILE 16 32.671 -6.010 16.524
126 HD11 ILE 16 HD11 ILE 16 32.406 -4.382 12.193
127 HD12 ILE 16 HD12 ILE 16 33.922 -5.167 11.761
128 HD13 ILE 16 HD13 ILE 16 33.942 -3.665 12.681
129 H HIS 17 HN HIS 17 30.700 -2.063 15.414
130 HA HIS 17 HA HIS 17 30.459 -2.335 18.293
131 HB2 HIS 17 HB3 HIS 17 30.570 -0.061 18.239
132 HB3 HIS 17 HB2 HIS 17 30.681 -0.167 16.496
133 HD1 HIS 17 HD1 HIS 17 28.588 0.454 15.121
134 HD2 HIS 17 HD2 HIS 17 27.936 0.458 19.235
135 HE1 HIS 17 HE1 HIS 17 26.300 1.470 15.477
136 HE2 HIS 17 HE2 HIS 17 25.901 1.515 17.982
137 H ARG 18 HN ARG 18 28.543 -3.215 15.712
138 HA ARG 18 HA ARG 18 25.978 -2.915 17.191
139 HB2 ARG 18 HB3 ARG 18 26.640 -3.830 14.388
140 HB3 ARG 18 HB2 ARG 18 25.030 -3.983 15.095
141 HG2 ARG 18 HG3 ARG 18 24.872 -1.607 15.438
142 HG3 ARG 18 HG2 ARG 18 26.558 -1.375 14.981
143 HD2 ARG 18 HD3 ARG 18 24.524 -1.005 13.232
144 HD3 ARG 18 HD2 ARG 18 26.112 -1.568 12.720
145 HE ARG 18 HE ARG 18 24.580 -3.846 13.438
146 HH11 ARG 18 HH11 ARG 18 23.597 -5.063 11.809
147 HH12 ARG 18 HH12 ARG 18 23.309 -4.342 10.261
148 HH21 ARG 18 HH21 ARG 18 24.677 -1.278 11.137
149 HH22 ARG 18 HH22 ARG 18 23.920 -2.200 9.880
150 H LEU 19 HN LEU 19 28.366 -5.256 16.204
151 HA LEU 19 HA LEU 19 26.897 -7.633 16.787
152 HB2 LEU 19 HB3 LEU 19 28.925 -8.070 15.707
153 HB3 LEU 19 HB2 LEU 19 29.792 -6.851 16.625
154 HG LEU 19 HG LEU 19 29.766 -8.337 18.616
155 HD11 LEU 19 HD11 LEU 19 28.923 -10.587 18.492
156 HD12 LEU 19 HD12 LEU 19 28.643 -10.455 16.757
157 HD13 LEU 19 HD13 LEU 19 27.631 -9.557 17.884
158 HD21 LEU 19 HD21 LEU 19 31.695 -8.480 17.199
159 HD22 LEU 19 HD22 LEU 19 30.836 -9.475 16.025
160 HD23 LEU 19 HD23 LEU 19 31.244 -10.134 17.609
161 H ILE 20 HN ILE 20 28.778 -5.399 18.786
162 HA ILE 20 HA ILE 20 28.480 -6.923 21.233
163 HB ILE 20 HB ILE 20 30.044 -5.381 21.873
164 HG12 ILE 20 HG13 ILE 20 27.877 -3.259 21.614
165 HG13 ILE 20 HG12 ILE 20 28.109 -4.275 23.034
166 HG21 ILE 20 HG21 ILE 20 30.587 -3.453 20.419
167 HG22 ILE 20 HG22 ILE 20 29.106 -3.756 19.528
168 HG23 ILE 20 HG23 ILE 20 30.396 -4.942 19.497
169 HD11 ILE 20 HD11 ILE 20 29.950 -2.165 21.907
170 HD12 ILE 20 HD12 ILE 20 30.518 -3.378 23.054
171 HD13 ILE 20 HD13 ILE 20 29.246 -2.249 23.522
172 H ARG 21 HN ARG 21 26.742 -4.109 19.915
173 HA ARG 21 HA ARG 21 24.845 -3.845 21.971
174 HB2 ARG 21 HB3 ARG 21 24.545 -3.396 18.993
175 HB3 ARG 21 HB2 ARG 21 23.345 -2.892 20.186
176 HG2 ARG 21 HG3 ARG 21 24.979 -1.480 21.302
177 HG3 ARG 21 HG2 ARG 21 26.255 -2.055 20.233
178 HD2 ARG 21 HD3 ARG 21 25.442 0.132 19.489
179 HD3 ARG 21 HD2 ARG 21 25.048 -1.106 18.297
180 HE ARG 21 HE ARG 21 22.774 -1.074 19.784
181 HH11 ARG 21 HH11 ARG 21 21.054 0.368 19.531
182 HH12 ARG 21 HH12 ARG 21 21.347 1.938 18.864
183 HH21 ARG 21 HH21 ARG 21 24.751 1.423 18.458
184 HH22 ARG 21 HH22 ARG 21 23.439 2.535 18.257
185 H ARG 22 HN ARG 22 24.894 -5.989 19.177
186 HA ARG 22 HA ARG 22 22.309 -7.178 19.728
187 HB2 ARG 22 HB3 ARG 22 24.702 -8.056 18.095
188 HB3 ARG 22 HB2 ARG 22 23.264 -9.065 18.264
189 HG2 ARG 22 HG3 ARG 22 21.871 -7.221 17.392
190 HG3 ARG 22 HG2 ARG 22 23.315 -6.225 17.202
191 HD2 ARG 22 HD3 ARG 22 22.582 -7.380 15.089
192 HD3 ARG 22 HD2 ARG 22 24.236 -7.749 15.574
193 HE ARG 22 HE ARG 22 22.460 -9.702 16.691
194 HH11 ARG 22 HH11 ARG 22 22.381 -11.737 15.715
195 HH12 ARG 22 HH12 ARG 22 22.960 -11.930 14.094
196 HH21 ARG 22 HH21 ARG 22 23.841 -8.595 13.732
197 HH22 ARG 22 HH22 ARG 22 23.789 -10.151 12.972
198 H ARG 23 HN ARG 23 25.417 -7.377 21.114
199 HA ARG 23 HA ARG 23 24.836 -9.991 22.441
200 HB2 ARG 23 HB3 ARG 23 27.091 -9.440 21.272
201 HB3 ARG 23 HB2 ARG 23 27.404 -8.417 22.671
202 HG2 ARG 23 HG3 ARG 23 28.306 -10.386 23.492
203 HG3 ARG 23 HG2 ARG 23 26.636 -10.644 23.993
204 HD2 ARG 23 HD3 ARG 23 26.355 -11.739 21.634
205 HD3 ARG 23 HD2 ARG 23 28.116 -11.840 21.656
206 HE ARG 23 HE ARG 23 26.986 -12.884 24.104
207 HH11 ARG 23 HH11 ARG 23 27.053 -15.128 24.373
208 HH12 ARG 23 HH12 ARG 23 27.331 -16.144 22.997
209 HH21 ARG 23 HH21 ARG 23 27.572 -13.502 20.763
210 HH22 ARG 23 HH22 ARG 23 27.627 -15.223 20.953
211 H ARG 24 HN ARG 24 23.450 -7.466 23.196
212 HA ARG 24 HA ARG 24 24.589 -6.290 25.522
213 HB2 ARG 24 HB3 ARG 24 21.799 -6.610 24.453
214 HB3 ARG 24 HB2 ARG 24 21.978 -6.081 26.124
215 HG2 ARG 24 HG3 ARG 24 23.314 -4.176 25.441
216 HG3 ARG 24 HG2 ARG 24 23.340 -4.740 23.772
217 HD2 ARG 24 HD3 ARG 24 21.643 -3.030 23.925
218 HD3 ARG 24 HD2 ARG 24 20.819 -4.582 23.768
219 HE ARG 24 HE ARG 24 21.247 -3.713 26.539
220 HH11 ARG 24 HH11 ARG 24 19.358 -3.315 27.710
221 HH12 ARG 24 HH12 ARG 24 17.845 -3.195 26.875
222 HH21 ARG 24 HH21 ARG 24 19.228 -3.729 23.740
223 HH22 ARG 24 HH22 ARG 24 17.772 -3.424 24.629
224 H ARG 25 HN ARG 25 25.582 -8.193 26.539
225 HA ARG 25 HA ARG 25 24.103 -10.426 27.506
226 HB2 ARG 25 HB3 ARG 25 26.611 -9.149 28.641
227 HB3 ARG 25 HB2 ARG 25 26.007 -10.753 29.060
228 HG2 ARG 25 HG3 ARG 25 26.085 -11.223 26.505
229 HG3 ARG 25 HG2 ARG 25 27.116 -9.794 26.420
230 HD2 ARG 25 HD3 ARG 25 27.633 -12.223 28.163
231 HD3 ARG 25 HD2 ARG 25 28.455 -11.866 26.643
232 HE ARG 25 HE ARG 25 28.646 -9.714 28.619
233 HH11 ARG 25 HH11 ARG 25 30.733 -9.323 29.402
234 HH12 ARG 25 HH12 ARG 25 31.984 -10.485 29.111
235 HH21 ARG 25 HH21 ARG 25 29.922 -12.662 27.370
236 HH22 ARG 25 HH22 ARG 25 31.524 -12.377 27.963
Start of MODEL 12
1 H1 PHE 1 H1 PHE 1 46.227 6.461 17.576
2 H2 PHE 1 H2 PHE 1 46.548 8.051 18.081
3 H3 PHE 1 H3 PHE 1 46.585 7.658 16.429
4 HA PHE 1 HA PHE 1 44.208 7.155 16.487
5 HB2 PHE 1 HB3 PHE 1 44.544 8.099 19.347
6 HB3 PHE 1 HB2 PHE 1 42.980 7.957 18.544
7 HD1 PHE 1 HD1 PHE 1 41.906 5.847 18.310
8 HD2 PHE 1 HD2 PHE 1 46.013 6.040 19.555
9 HE1 PHE 1 HE1 PHE 1 41.861 3.422 18.831
10 HE2 PHE 1 HE2 PHE 1 45.969 3.617 20.076
11 HZ PHE 1 HZ PHE 1 43.893 2.307 19.715
12 H ILE 2 HN ILE 2 45.080 8.873 14.944
13 HA ILE 2 HA ILE 2 44.978 11.645 15.889
14 HB ILE 2 HB ILE 2 45.161 10.585 13.053
15 HG12 ILE 2 HG13 ILE 2 47.297 11.304 15.080
16 HG13 ILE 2 HG12 ILE 2 46.997 9.714 14.379
17 HG21 ILE 2 HG21 ILE 2 45.757 12.756 12.398
18 HG22 ILE 2 HG22 ILE 2 46.218 13.234 14.031
19 HG23 ILE 2 HG23 ILE 2 44.519 13.091 13.603
20 HD11 ILE 2 HD11 ILE 2 47.417 10.808 12.099
21 HD12 ILE 2 HD12 ILE 2 48.826 10.606 13.142
22 HD13 ILE 2 HD13 ILE 2 48.054 12.185 12.998
23 H HIS 3 HN HIS 3 43.466 11.007 12.813
24 HA HIS 3 HA HIS 3 40.750 11.160 13.896
25 HB2 HIS 3 HB3 HIS 3 40.220 13.297 12.791
26 HB3 HIS 3 HB2 HIS 3 41.462 13.499 14.021
27 HD1 HIS 3 HD1 HIS 3 41.330 15.594 11.846
28 HD2 HIS 3 HD2 HIS 3 43.684 12.165 11.483
29 HE1 HIS 3 HE1 HIS 3 43.124 16.122 10.141
30 HE2 HIS 3 HE2 HIS 3 44.543 14.039 9.898
31 H HIS 4 HN HIS 4 42.944 10.609 11.330
32 HA HIS 4 HA HIS 4 40.718 10.072 9.404
33 HB2 HIS 4 HB3 HIS 4 42.352 10.192 7.657
34 HB3 HIS 4 HB2 HIS 4 42.637 11.577 8.708
35 HD1 HIS 4 HD1 HIS 4 45.017 11.863 9.402
36 HD2 HIS 4 HD2 HIS 4 44.134 7.894 8.498
37 HE1 HIS 4 HE1 HIS 4 47.189 10.576 9.640
38 HE2 HIS 4 HE2 HIS 4 46.663 8.155 9.093
39 H ILE 5 HN ILE 5 42.955 8.579 11.504
40 HA ILE 5 HA ILE 5 43.013 6.036 10.044
41 HB ILE 5 HB ILE 5 44.404 5.230 11.782
42 HG12 ILE 5 HG13 ILE 5 43.026 5.780 13.738
43 HG13 ILE 5 HG12 ILE 5 44.657 6.388 13.972
44 HG21 ILE 5 HG21 ILE 5 44.875 8.219 11.559
45 HG22 ILE 5 HG22 ILE 5 45.479 6.982 10.457
46 HG23 ILE 5 HG23 ILE 5 46.061 7.041 12.119
47 HD11 ILE 5 HD11 ILE 5 42.234 7.993 13.153
48 HD12 ILE 5 HD12 ILE 5 43.868 8.636 13.153
49 HD13 ILE 5 HD13 ILE 5 43.121 8.114 14.659
50 H ILE 6 HN ILE 6 40.733 7.668 11.856
51 HA ILE 6 HA ILE 6 39.580 5.279 13.146
52 HB ILE 6 HB ILE 6 37.683 7.138 13.560
53 HG12 ILE 6 HG13 ILE 6 40.136 8.881 13.313
54 HG13 ILE 6 HG12 ILE 6 39.021 8.695 11.969
55 HG21 ILE 6 HG21 ILE 6 38.874 6.166 15.394
56 HG22 ILE 6 HG22 ILE 6 39.048 7.913 15.558
57 HG23 ILE 6 HG23 ILE 6 40.380 6.952 14.918
58 HD11 ILE 6 HD11 ILE 6 37.163 9.434 13.425
59 HD12 ILE 6 HD12 ILE 6 38.424 10.661 13.298
60 HD13 ILE 6 HD13 ILE 6 38.309 9.660 14.746
61 H GLY 7 HN GLY 7 38.481 7.670 10.719
62 HA2 GLY 7 HA3 GLY 7 36.192 6.196 9.898
63 HA3 GLY 7 HA2 GLY 7 37.020 7.403 8.907
64 H GLY 8 HN GLY 8 39.284 5.235 9.816
65 HA2 GLY 8 HA3 GLY 8 39.167 3.843 7.185
66 HA3 GLY 8 HA2 GLY 8 40.571 3.902 8.262
67 H LEU 9 HN LEU 9 39.154 3.242 10.650
68 HA LEU 9 HA LEU 9 38.370 0.390 10.151
69 HB2 LEU 9 HB3 LEU 9 40.500 0.303 11.221
70 HB3 LEU 9 HB2 LEU 9 40.123 1.667 12.268
71 HG LEU 9 HG LEU 9 38.513 0.322 13.508
72 HD11 LEU 9 HD11 LEU 9 38.420 -2.171 12.962
73 HD12 LEU 9 HD12 LEU 9 39.206 -1.776 11.434
74 HD13 LEU 9 HD13 LEU 9 37.615 -1.117 11.803
75 HD21 LEU 9 HD21 LEU 9 40.779 0.177 14.313
76 HD22 LEU 9 HD22 LEU 9 41.201 -1.000 13.069
77 HD23 LEU 9 HD23 LEU 9 40.100 -1.450 14.372
78 H PHE 10 HN PHE 10 38.121 3.215 12.291
79 HA PHE 10 HA PHE 10 36.072 2.515 14.003
80 HB2 PHE 10 HB3 PHE 10 37.351 4.778 13.622
81 HB3 PHE 10 HB2 PHE 10 35.992 5.176 12.571
82 HD1 PHE 10 HD1 PHE 10 37.095 4.645 16.019
83 HD2 PHE 10 HD2 PHE 10 33.692 5.301 13.485
84 HE1 PHE 10 HE1 PHE 10 35.728 5.227 18.008
85 HE2 PHE 10 HE2 PHE 10 32.322 5.885 15.472
86 HZ PHE 10 HZ PHE 10 33.342 5.847 17.733
87 H SER 11 HN SER 11 35.853 3.208 10.563
88 HA SER 11 HA SER 11 33.032 3.523 10.345
89 HB2 SER 11 HB3 SER 11 33.376 2.689 7.986
90 HB3 SER 11 HB2 SER 11 34.446 4.014 8.444
91 HG SER 11 HG SER 11 35.996 2.339 8.998
92 H ALA 12 HN ALA 12 35.070 0.601 10.175
93 HA ALA 12 HA ALA 12 32.692 -1.130 10.084
94 HB1 ALA 12 HB1 ALA 12 35.624 -1.833 10.419
95 HB2 ALA 12 HB2 ALA 12 34.746 -1.814 8.888
96 HB3 ALA 12 HB3 ALA 12 34.316 -2.982 10.137
97 H GLY 13 HN GLY 13 35.113 -0.021 12.395
98 HA2 GLY 13 HA3 GLY 13 34.656 -1.764 14.541
99 HA3 GLY 13 HA2 GLY 13 35.006 -0.041 14.750
100 H LYS 14 HN LYS 14 32.784 1.057 13.498
101 HA LYS 14 HA LYS 14 30.809 1.083 15.542
102 HB2 LYS 14 HB3 LYS 14 30.713 1.795 12.603
103 HB3 LYS 14 HB2 LYS 14 29.313 1.998 13.659
104 HG2 LYS 14 HG3 LYS 14 30.419 3.590 15.020
105 HG3 LYS 14 HG2 LYS 14 32.010 3.144 14.394
106 HD2 LYS 14 HD3 LYS 14 31.155 5.303 13.461
107 HD3 LYS 14 HD2 LYS 14 31.479 4.091 12.223
108 HE2 LYS 14 HE3 LYS 14 28.726 4.368 13.427
109 HE3 LYS 14 HE2 LYS 14 29.239 5.397 12.089
110 HZ1 LYS 14 HZ1 LYS 14 28.529 3.703 10.836
111 HZ2 LYS 14 HZ2 LYS 14 28.597 2.580 12.109
112 HZ3 LYS 14 HZ3 LYS 14 30.005 2.973 11.243
113 H ALA 15 HN ALA 15 30.815 -0.621 12.413
114 HA ALA 15 HA ALA 15 28.368 -2.030 12.728
115 HB1 ALA 15 HB1 ALA 15 30.910 -2.836 11.293
116 HB2 ALA 15 HB2 ALA 15 29.523 -2.003 10.588
117 HB3 ALA 15 HB3 ALA 15 29.367 -3.674 11.131
118 H ILE 16 HN ILE 16 31.683 -2.808 13.772
119 HA ILE 16 HA ILE 16 30.840 -5.401 14.810
120 HB ILE 16 HB ILE 16 33.362 -3.736 15.122
121 HG12 ILE 16 HG13 ILE 16 34.289 -5.944 14.081
122 HG13 ILE 16 HG12 ILE 16 32.609 -6.287 13.679
123 HG21 ILE 16 HG21 ILE 16 32.592 -6.307 16.522
124 HG22 ILE 16 HG22 ILE 16 33.190 -4.813 17.244
125 HG23 ILE 16 HG23 ILE 16 34.275 -5.828 16.294
126 HD11 ILE 16 HD11 ILE 16 33.855 -5.142 11.838
127 HD12 ILE 16 HD12 ILE 16 34.071 -3.750 12.896
128 HD13 ILE 16 HD13 ILE 16 32.451 -4.231 12.389
129 H HIS 17 HN HIS 17 31.018 -2.114 15.901
130 HA HIS 17 HA HIS 17 30.720 -2.748 18.720
131 HB2 HIS 17 HB3 HIS 17 31.086 -0.517 18.985
132 HB3 HIS 17 HB2 HIS 17 31.200 -0.388 17.244
133 HD1 HIS 17 HD1 HIS 17 29.176 0.612 15.980
134 HD2 HIS 17 HD2 HIS 17 28.542 0.177 20.072
135 HE1 HIS 17 HE1 HIS 17 27.023 1.833 16.494
136 HE2 HIS 17 HE2 HIS 17 26.630 1.600 18.993
137 H ARG 18 HN ARG 18 28.741 -3.001 16.038
138 HA ARG 18 HA ARG 18 26.215 -2.631 17.560
139 HB2 ARG 18 HB3 ARG 18 26.816 -3.160 14.646
140 HB3 ARG 18 HB2 ARG 18 25.183 -3.245 15.316
141 HG2 ARG 18 HG3 ARG 18 25.310 -0.949 16.076
142 HG3 ARG 18 HG2 ARG 18 27.002 -0.843 15.602
143 HD2 ARG 18 HD3 ARG 18 25.147 0.127 14.005
144 HD3 ARG 18 HD2 ARG 18 26.497 -0.774 13.319
145 HE ARG 18 HE ARG 18 24.565 -2.706 13.806
146 HH11 ARG 18 HH11 ARG 18 23.044 -3.300 12.239
147 HH12 ARG 18 HH12 ARG 18 22.624 -2.175 10.991
148 HH21 ARG 18 HH21 ARG 18 24.756 0.307 12.142
149 HH22 ARG 18 HH22 ARG 18 23.593 -0.134 10.935
150 H LEU 19 HN LEU 19 28.349 -5.052 16.307
151 HA LEU 19 HA LEU 19 26.583 -7.299 16.510
152 HB2 LEU 19 HB3 LEU 19 28.548 -7.806 15.348
153 HB3 LEU 19 HB2 LEU 19 29.551 -6.850 16.428
154 HG LEU 19 HG LEU 19 29.331 -8.602 18.175
155 HD11 LEU 19 HD11 LEU 19 27.076 -9.438 17.299
156 HD12 LEU 19 HD12 LEU 19 28.234 -10.698 17.713
157 HD13 LEU 19 HD13 LEU 19 27.975 -10.260 16.026
158 HD21 LEU 19 HD21 LEU 19 31.204 -8.680 16.581
159 HD22 LEU 19 HD22 LEU 19 30.222 -9.629 15.465
160 HD23 LEU 19 HD23 LEU 19 30.692 -10.309 17.023
161 H ILE 20 HN ILE 20 28.694 -5.615 18.790
162 HA ILE 20 HA ILE 20 28.212 -7.435 20.994
163 HB ILE 20 HB ILE 20 29.946 -6.197 21.830
164 HG12 ILE 20 HG13 ILE 20 28.042 -3.820 21.906
165 HG13 ILE 20 HG12 ILE 20 28.159 -5.046 23.168
166 HG21 ILE 20 HG21 ILE 20 30.710 -4.146 20.655
167 HG22 ILE 20 HG22 ILE 20 29.213 -4.172 19.738
168 HG23 ILE 20 HG23 ILE 20 30.371 -5.475 19.549
169 HD11 ILE 20 HD11 ILE 20 30.601 -4.445 23.385
170 HD12 ILE 20 HD12 ILE 20 29.492 -3.149 23.836
171 HD13 ILE 20 HD13 ILE 20 30.307 -3.108 22.272
172 H ARG 21 HN ARG 21 26.832 -4.268 20.122
173 HA ARG 21 HA ARG 21 24.974 -4.070 22.214
174 HB2 ARG 21 HB3 ARG 21 24.735 -3.187 19.328
175 HB3 ARG 21 HB2 ARG 21 23.597 -2.718 20.593
176 HG2 ARG 21 HG3 ARG 21 25.360 -1.648 21.865
177 HG3 ARG 21 HG2 ARG 21 26.582 -2.239 20.740
178 HD2 ARG 21 HD3 ARG 21 25.923 0.153 20.362
179 HD3 ARG 21 HD2 ARG 21 25.692 -0.883 18.957
180 HE ARG 21 HE ARG 21 23.264 -0.847 20.449
181 HH11 ARG 21 HH11 ARG 21 21.570 0.462 19.730
182 HH12 ARG 21 HH12 ARG 21 21.906 1.781 18.660
183 HH21 ARG 21 HH21 ARG 21 25.318 1.175 18.556
184 HH22 ARG 21 HH22 ARG 21 24.027 2.190 18.001
185 H ARG 22 HN ARG 22 24.767 -5.768 19.135
186 HA ARG 22 HA ARG 22 22.064 -6.739 19.594
187 HB2 ARG 22 HB3 ARG 22 24.268 -7.444 17.653
188 HB3 ARG 22 HB2 ARG 22 22.794 -8.410 17.735
189 HG2 ARG 22 HG3 ARG 22 21.423 -6.570 17.119
190 HG3 ARG 22 HG2 ARG 22 22.710 -5.404 17.429
191 HD2 ARG 22 HD3 ARG 22 22.195 -6.085 14.959
192 HD3 ARG 22 HD2 ARG 22 23.876 -5.975 15.480
193 HE ARG 22 HE ARG 22 22.811 -8.647 15.854
194 HH11 ARG 22 HH11 ARG 22 23.612 -10.238 14.461
195 HH12 ARG 22 HH12 ARG 22 24.436 -9.767 13.012
196 HH21 ARG 22 HH21 ARG 22 24.089 -6.370 13.602
197 HH22 ARG 22 HH22 ARG 22 24.707 -7.579 12.527
198 H ARG 23 HN ARG 23 25.188 -7.598 20.716
199 HA ARG 23 HA ARG 23 24.312 -10.348 21.480
200 HB2 ARG 23 HB3 ARG 23 26.611 -9.810 20.392
201 HB3 ARG 23 HB2 ARG 23 27.045 -9.168 21.973
202 HG2 ARG 23 HG3 ARG 23 27.690 -11.340 22.381
203 HG3 ARG 23 HG2 ARG 23 25.983 -11.558 22.750
204 HD2 ARG 23 HD3 ARG 23 25.689 -12.090 20.248
205 HD3 ARG 23 HD2 ARG 23 27.445 -12.237 20.196
206 HE ARG 23 HE ARG 23 26.783 -13.862 22.304
207 HH11 ARG 23 HH11 ARG 23 26.195 -16.035 22.106
208 HH12 ARG 23 HH12 ARG 23 25.502 -16.599 20.622
209 HH21 ARG 23 HH21 ARG 23 25.636 -13.499 19.072
210 HH22 ARG 23 HH22 ARG 23 25.182 -15.162 18.905
211 H ARG 24 HN ARG 24 23.408 -7.733 22.798
212 HA ARG 24 HA ARG 24 24.681 -7.478 25.334
213 HB2 ARG 24 HB3 ARG 24 21.877 -6.908 24.360
214 HB3 ARG 24 HB2 ARG 24 22.305 -6.683 26.056
215 HG2 ARG 24 HG3 ARG 24 23.943 -5.038 25.536
216 HG3 ARG 24 HG2 ARG 24 23.936 -5.460 23.825
217 HD2 ARG 24 HD3 ARG 24 22.688 -3.365 24.240
218 HD3 ARG 24 HD2 ARG 24 21.629 -4.629 23.615
219 HE ARG 24 HE ARG 24 21.447 -4.857 26.388
220 HH11 ARG 24 HH11 ARG 24 19.837 -3.785 27.557
221 HH12 ARG 24 HH12 ARG 24 19.112 -2.357 26.898
222 HH21 ARG 24 HH21 ARG 24 21.014 -2.410 23.999
223 HH22 ARG 24 HH22 ARG 24 19.778 -1.579 24.883
224 H ARG 25 HN ARG 25 25.150 -9.686 25.893
225 HA ARG 25 HA ARG 25 23.241 -11.754 26.157
226 HB2 ARG 25 HB3 ARG 25 24.865 -12.881 27.545
227 HB3 ARG 25 HB2 ARG 25 25.743 -12.015 26.285
228 HG2 ARG 25 HG3 ARG 25 25.979 -10.096 27.950
229 HG3 ARG 25 HG2 ARG 25 25.394 -11.214 29.181
230 HD2 ARG 25 HD3 ARG 25 27.707 -11.490 29.359
231 HD3 ARG 25 HD2 ARG 25 27.284 -12.795 28.252
232 HE ARG 25 HE ARG 25 27.828 -10.728 26.534
233 HH11 ARG 25 HH11 ARG 25 29.898 -10.190 25.794
234 HH12 ARG 25 HH12 ARG 25 31.281 -10.613 26.747
235 HH21 ARG 25 HH21 ARG 25 29.418 -12.093 29.270
236 HH22 ARG 25 HH22 ARG 25 31.009 -11.689 28.717
Start of MODEL 13
1 H1 PHE 1 H1 PHE 1 43.819 6.517 18.240
2 H2 PHE 1 H2 PHE 1 43.102 5.026 17.852
3 H3 PHE 1 H3 PHE 1 42.664 5.836 19.280
4 HA PHE 1 HA PHE 1 41.853 6.348 16.522
5 HB2 PHE 1 HB3 PHE 1 40.421 6.878 19.130
6 HB3 PHE 1 HB2 PHE 1 39.714 6.652 17.531
7 HD1 PHE 1 HD1 PHE 1 40.769 5.022 20.560
8 HD2 PHE 1 HD2 PHE 1 40.036 4.380 16.375
9 HE1 PHE 1 HE1 PHE 1 40.610 2.580 20.963
10 HE2 PHE 1 HE2 PHE 1 39.877 1.938 16.779
11 HZ PHE 1 HZ PHE 1 40.164 1.038 19.072
12 H ILE 2 HN ILE 2 43.062 8.179 15.870
13 HA ILE 2 HA ILE 2 43.113 10.547 17.641
14 HB ILE 2 HB ILE 2 44.248 10.156 14.858
15 HG12 ILE 2 HG13 ILE 2 45.696 10.210 17.519
16 HG13 ILE 2 HG12 ILE 2 45.201 8.713 16.728
17 HG21 ILE 2 HG21 ILE 2 45.565 12.192 15.438
18 HG22 ILE 2 HG22 ILE 2 44.648 12.332 16.938
19 HG23 ILE 2 HG23 ILE 2 43.836 12.521 15.388
20 HD11 ILE 2 HD11 ILE 2 46.485 9.430 14.697
21 HD12 ILE 2 HD12 ILE 2 47.505 9.185 16.114
22 HD13 ILE 2 HD13 ILE 2 47.074 10.819 15.609
23 H HIS 3 HN HIS 3 42.625 10.582 14.125
24 HA HIS 3 HA HIS 3 39.878 11.562 14.437
25 HB2 HIS 3 HB3 HIS 3 40.340 13.759 13.409
26 HB3 HIS 3 HB2 HIS 3 41.159 13.574 14.958
27 HD1 HIS 3 HD1 HIS 3 42.347 15.621 13.131
28 HD2 HIS 3 HD2 HIS 3 43.504 11.614 12.953
29 HE1 HIS 3 HE1 HIS 3 44.634 15.573 12.047
30 HE2 HIS 3 HE2 HIS 3 45.330 13.142 11.910
31 H HIS 4 HN HIS 4 42.402 10.311 12.524
32 HA HIS 4 HA HIS 4 40.577 10.213 10.151
33 HB2 HIS 4 HB3 HIS 4 42.497 10.449 8.667
34 HB3 HIS 4 HB2 HIS 4 42.413 11.837 9.748
35 HD1 HIS 4 HD1 HIS 4 44.592 12.402 10.813
36 HD2 HIS 4 HD2 HIS 4 44.310 8.352 9.903
37 HE1 HIS 4 HE1 HIS 4 46.809 11.368 11.480
38 HE2 HIS 4 HE2 HIS 4 46.657 8.898 10.912
39 H ILE 5 HN ILE 5 42.931 8.617 12.192
40 HA ILE 5 HA ILE 5 43.063 6.205 10.576
41 HB ILE 5 HB ILE 5 43.963 5.163 12.641
42 HG12 ILE 5 HG13 ILE 5 43.092 7.799 13.858
43 HG13 ILE 5 HG12 ILE 5 42.553 6.182 14.306
44 HG21 ILE 5 HG21 ILE 5 45.359 6.708 11.146
45 HG22 ILE 5 HG22 ILE 5 45.965 6.456 12.781
46 HG23 ILE 5 HG23 ILE 5 45.117 7.947 12.379
47 HD11 ILE 5 HD11 ILE 5 45.020 5.697 14.848
48 HD12 ILE 5 HD12 ILE 5 44.155 6.761 15.957
49 HD13 ILE 5 HD13 ILE 5 45.256 7.441 14.758
50 H ILE 6 HN ILE 6 40.676 7.727 12.368
51 HA ILE 6 HA ILE 6 39.316 5.356 13.372
52 HB ILE 6 HB ILE 6 37.395 7.213 13.546
53 HG12 ILE 6 HG13 ILE 6 39.901 8.914 13.469
54 HG13 ILE 6 HG12 ILE 6 38.801 8.788 12.101
55 HG21 ILE 6 HG21 ILE 6 39.925 7.260 15.214
56 HG22 ILE 6 HG22 ILE 6 38.542 6.193 15.465
57 HG23 ILE 6 HG23 ILE 6 38.367 7.932 15.697
58 HD11 ILE 6 HD11 ILE 6 38.251 9.925 14.838
59 HD12 ILE 6 HD12 ILE 6 36.939 9.445 13.762
60 HD13 ILE 6 HD13 ILE 6 38.061 10.707 13.269
61 H GLY 7 HN GLY 7 38.523 7.720 10.805
62 HA2 GLY 7 HA3 GLY 7 36.333 6.265 9.740
63 HA3 GLY 7 HA2 GLY 7 37.296 7.435 8.830
64 H GLY 8 HN GLY 8 39.414 5.274 10.024
65 HA2 GLY 8 HA3 GLY 8 39.577 3.821 7.433
66 HA3 GLY 8 HA2 GLY 8 40.842 3.882 8.668
67 H LEU 9 HN LEU 9 39.105 3.276 10.878
68 HA LEU 9 HA LEU 9 38.358 0.427 10.316
69 HB2 LEU 9 HB3 LEU 9 40.366 0.310 11.594
70 HB3 LEU 9 HB2 LEU 9 39.915 1.692 12.585
71 HG LEU 9 HG LEU 9 38.158 0.380 13.668
72 HD11 LEU 9 HD11 LEU 9 38.133 -2.129 13.161
73 HD12 LEU 9 HD12 LEU 9 39.067 -1.751 11.713
74 HD13 LEU 9 HD13 LEU 9 37.443 -1.096 11.911
75 HD21 LEU 9 HD21 LEU 9 40.681 -1.285 13.609
76 HD22 LEU 9 HD22 LEU 9 39.571 -1.048 14.959
77 HD23 LEU 9 HD23 LEU 9 40.595 0.280 14.417
78 H PHE 10 HN PHE 10 37.922 3.280 12.371
79 HA PHE 10 HA PHE 10 35.760 2.642 13.936
80 HB2 PHE 10 HB3 PHE 10 37.041 4.879 13.570
81 HB3 PHE 10 HB2 PHE 10 35.796 5.227 12.373
82 HD1 PHE 10 HD1 PHE 10 33.787 6.214 13.085
83 HD2 PHE 10 HD2 PHE 10 36.191 4.053 15.911
84 HE1 PHE 10 HE1 PHE 10 32.256 6.902 14.914
85 HE2 PHE 10 HE2 PHE 10 34.661 4.739 17.741
86 HZ PHE 10 HZ PHE 10 32.692 6.165 17.241
87 H SER 11 HN SER 11 35.749 3.021 10.448
88 HA SER 11 HA SER 11 32.938 3.401 10.087
89 HB2 SER 11 HB3 SER 11 35.060 2.176 8.312
90 HB3 SER 11 HB2 SER 11 33.386 2.378 7.793
91 HG SER 11 HG SER 11 34.777 4.155 7.240
92 H ALA 12 HN ALA 12 34.819 0.368 9.726
93 HA ALA 12 HA ALA 12 32.354 -1.210 9.860
94 HB1 ALA 12 HB1 ALA 12 35.198 -2.227 10.059
95 HB2 ALA 12 HB2 ALA 12 34.404 -1.890 8.519
96 HB3 ALA 12 HB3 ALA 12 33.763 -3.137 9.591
97 H GLY 13 HN GLY 13 34.979 -0.239 11.971
98 HA2 GLY 13 HA3 GLY 13 34.656 -2.005 14.122
99 HA3 GLY 13 HA2 GLY 13 35.077 -0.296 14.321
100 H LYS 14 HN LYS 14 32.785 0.888 13.274
101 HA LYS 14 HA LYS 14 31.001 0.907 15.502
102 HB2 LYS 14 HB3 LYS 14 30.691 1.751 12.613
103 HB3 LYS 14 HB2 LYS 14 29.369 1.922 13.767
104 HG2 LYS 14 HG3 LYS 14 30.549 3.471 15.092
105 HG3 LYS 14 HG2 LYS 14 32.113 2.993 14.426
106 HD2 LYS 14 HD3 LYS 14 31.351 5.191 13.548
107 HD3 LYS 14 HD2 LYS 14 31.535 3.991 12.270
108 HE2 LYS 14 HE3 LYS 14 29.400 5.368 12.162
109 HE3 LYS 14 HE2 LYS 14 29.169 3.619 12.157
110 HZ1 LYS 14 HZ1 LYS 14 28.249 3.642 14.194
111 HZ2 LYS 14 HZ2 LYS 14 27.897 5.260 13.811
112 HZ3 LYS 14 HZ3 LYS 14 29.249 4.886 14.769
113 H ALA 15 HN ALA 15 30.701 -0.694 12.337
114 HA ALA 15 HA ALA 15 28.239 -2.029 12.789
115 HB1 ALA 15 HB1 ALA 15 30.634 -2.960 11.190
116 HB2 ALA 15 HB2 ALA 15 29.324 -1.948 10.584
117 HB3 ALA 15 HB3 ALA 15 29.003 -3.616 11.060
118 H ILE 16 HN ILE 16 31.582 -2.948 13.604
119 HA ILE 16 HA ILE 16 30.709 -5.546 14.614
120 HB ILE 16 HB ILE 16 33.303 -3.979 14.758
121 HG12 ILE 16 HG13 ILE 16 34.095 -6.197 13.678
122 HG13 ILE 16 HG12 ILE 16 32.387 -6.550 13.446
123 HG21 ILE 16 HG21 ILE 16 34.235 -6.081 15.896
124 HG22 ILE 16 HG22 ILE 16 32.561 -6.500 16.260
125 HG23 ILE 16 HG23 ILE 16 33.259 -5.015 16.907
126 HD11 ILE 16 HD11 ILE 16 32.108 -4.508 12.140
127 HD12 ILE 16 HD12 ILE 16 33.428 -5.455 11.463
128 HD13 ILE 16 HD13 ILE 16 33.779 -4.045 12.459
129 H HIS 17 HN HIS 17 31.133 -2.308 15.789
130 HA HIS 17 HA HIS 17 30.928 -3.017 18.600
131 HB2 HIS 17 HB3 HIS 17 31.458 -0.819 18.888
132 HB3 HIS 17 HB2 HIS 17 31.454 -0.639 17.146
133 HD1 HIS 17 HD1 HIS 17 29.383 0.469 16.053
134 HD2 HIS 17 HD2 HIS 17 29.057 0.011 20.179
135 HE1 HIS 17 HE1 HIS 17 27.357 1.808 16.753
136 HE2 HIS 17 HE2 HIS 17 27.158 1.566 19.274
137 H ARG 18 HN ARG 18 28.811 -3.094 16.016
138 HA ARG 18 HA ARG 18 26.390 -2.627 17.683
139 HB2 ARG 18 HB3 ARG 18 26.812 -3.092 14.726
140 HB3 ARG 18 HB2 ARG 18 25.216 -3.151 15.476
141 HG2 ARG 18 HG3 ARG 18 25.462 -0.882 16.302
142 HG3 ARG 18 HG2 ARG 18 27.118 -0.808 15.706
143 HD2 ARG 18 HD3 ARG 18 25.188 0.242 14.264
144 HD3 ARG 18 HD2 ARG 18 26.448 -0.697 13.465
145 HE ARG 18 HE ARG 18 24.545 -2.595 14.031
146 HH11 ARG 18 HH11 ARG 18 22.814 -3.079 12.669
147 HH12 ARG 18 HH12 ARG 18 22.231 -1.875 11.568
148 HH21 ARG 18 HH21 ARG 18 24.530 0.523 12.566
149 HH22 ARG 18 HH22 ARG 18 23.201 0.167 11.513
150 H LEU 19 HN LEU 19 28.341 -5.129 16.278
151 HA LEU 19 HA LEU 19 26.446 -7.276 16.483
152 HB2 LEU 19 HB3 LEU 19 28.313 -7.883 15.219
153 HB3 LEU 19 HB2 LEU 19 29.423 -6.995 16.249
154 HG LEU 19 HG LEU 19 29.215 -8.763 17.985
155 HD11 LEU 19 HD11 LEU 19 27.974 -10.770 17.602
156 HD12 LEU 19 HD12 LEU 19 27.702 -10.368 15.907
157 HD13 LEU 19 HD13 LEU 19 26.868 -9.468 17.170
158 HD21 LEU 19 HD21 LEU 19 31.002 -8.911 16.318
159 HD22 LEU 19 HD22 LEU 19 29.922 -9.755 15.210
160 HD23 LEU 19 HD23 LEU 19 30.414 -10.524 16.718
161 H ILE 20 HN ILE 20 28.739 -5.777 18.709
162 HA ILE 20 HA ILE 20 28.256 -7.642 20.890
163 HB ILE 20 HB ILE 20 30.110 -6.524 21.647
164 HG12 ILE 20 HG13 ILE 20 28.323 -4.075 21.947
165 HG13 ILE 20 HG12 ILE 20 28.465 -5.363 23.142
166 HG21 ILE 20 HG21 ILE 20 29.360 -4.358 19.705
167 HG22 ILE 20 HG22 ILE 20 30.429 -5.707 19.372
168 HG23 ILE 20 HG23 ILE 20 30.909 -4.465 20.522
169 HD11 ILE 20 HD11 ILE 20 30.921 -4.871 23.270
170 HD12 ILE 20 HD12 ILE 20 29.911 -3.517 23.779
171 HD13 ILE 20 HD13 ILE 20 30.660 -3.506 22.183
172 H ARG 21 HN ARG 21 27.013 -4.402 20.124
173 HA ARG 21 HA ARG 21 25.250 -4.177 22.327
174 HB2 ARG 21 HB3 ARG 21 24.951 -3.092 19.508
175 HB3 ARG 21 HB2 ARG 21 23.980 -2.574 20.886
176 HG2 ARG 21 HG3 ARG 21 25.887 -1.673 22.015
177 HG3 ARG 21 HG2 ARG 21 27.002 -2.453 20.897
178 HD2 ARG 21 HD3 ARG 21 26.589 -0.909 19.198
179 HD3 ARG 21 HD2 ARG 21 24.983 -0.512 19.803
180 HE ARG 21 HE ARG 21 27.458 0.766 20.580
181 HH11 ARG 21 HH11 ARG 21 27.296 2.362 22.175
182 HH12 ARG 21 HH12 ARG 21 25.867 2.451 23.149
183 HH21 ARG 21 HH21 ARG 21 24.324 -0.239 21.602
184 HH22 ARG 21 HH22 ARG 21 24.185 0.980 22.824
185 H ARG 22 HN ARG 22 24.786 -5.619 19.133
186 HA ARG 22 HA ARG 22 22.030 -6.357 19.556
187 HB2 ARG 22 HB3 ARG 22 24.206 -7.378 17.721
188 HB3 ARG 22 HB2 ARG 22 22.605 -8.119 17.753
189 HG2 ARG 22 HG3 ARG 22 21.542 -6.108 17.052
190 HG3 ARG 22 HG2 ARG 22 22.983 -5.143 17.380
191 HD2 ARG 22 HD3 ARG 22 22.786 -5.514 14.974
192 HD3 ARG 22 HD2 ARG 22 24.185 -6.389 15.594
193 HE ARG 22 HE ARG 22 21.724 -7.979 15.492
194 HH11 ARG 22 HH11 ARG 22 21.791 -9.738 14.074
195 HH12 ARG 22 HH12 ARG 22 23.064 -9.842 12.904
196 HH21 ARG 22 HH21 ARG 22 24.582 -6.888 13.898
197 HH22 ARG 22 HH22 ARG 22 24.643 -8.230 12.805
198 H ARG 23 HN ARG 23 25.039 -7.504 20.711
199 HA ARG 23 HA ARG 23 23.947 -10.143 21.523
200 HB2 ARG 23 HB3 ARG 23 26.349 -9.709 20.592
201 HB3 ARG 23 HB2 ARG 23 26.696 -9.085 22.202
202 HG2 ARG 23 HG3 ARG 23 27.259 -11.323 22.505
203 HG3 ARG 23 HG2 ARG 23 25.564 -11.367 22.985
204 HD2 ARG 23 HD3 ARG 23 25.116 -11.864 20.454
205 HD3 ARG 23 HD2 ARG 23 26.825 -12.297 20.411
206 HE ARG 23 HE ARG 23 25.467 -13.605 22.605
207 HH11 ARG 23 HH11 ARG 23 25.113 -15.830 22.388
208 HH12 ARG 23 HH12 ARG 23 25.236 -16.564 20.824
209 HH21 ARG 23 HH21 ARG 23 26.009 -13.600 19.199
210 HH22 ARG 23 HH22 ARG 23 25.742 -15.301 19.020
211 H ARG 24 HN ARG 24 22.959 -7.567 22.661
212 HA ARG 24 HA ARG 24 24.015 -7.052 25.227
213 HB2 ARG 24 HB3 ARG 24 21.546 -6.408 25.763
214 HB3 ARG 24 HB2 ARG 24 22.391 -5.507 24.507
215 HG2 ARG 24 HG3 ARG 24 21.347 -6.867 22.769
216 HG3 ARG 24 HG2 ARG 24 20.574 -7.880 23.987
217 HD2 ARG 24 HD3 ARG 24 20.119 -4.900 23.678
218 HD3 ARG 24 HD2 ARG 24 19.035 -6.151 23.069
219 HE ARG 24 HE ARG 24 19.482 -6.588 25.859
220 HH11 ARG 24 HH11 ARG 24 17.858 -5.964 27.307
221 HH12 ARG 24 HH12 ARG 24 16.665 -4.814 26.805
222 HH21 ARG 24 HH21 ARG 24 17.985 -4.432 23.623
223 HH22 ARG 24 HH22 ARG 24 16.735 -3.948 24.722
224 H ARG 25 HN ARG 25 24.611 -9.070 26.095
225 HA ARG 25 HA ARG 25 22.935 -11.330 26.416
226 HB2 ARG 25 HB3 ARG 25 25.003 -10.513 28.466
227 HB3 ARG 25 HB2 ARG 25 24.555 -12.138 27.945
228 HG2 ARG 25 HG3 ARG 25 25.426 -11.530 25.642
229 HG3 ARG 25 HG2 ARG 25 26.074 -10.055 26.359
230 HD2 ARG 25 HD3 ARG 25 27.785 -11.838 26.279
231 HD3 ARG 25 HD2 ARG 25 27.404 -11.385 27.941
232 HE ARG 25 HE ARG 25 26.591 -13.571 28.265
233 HH11 ARG 25 HH11 ARG 25 25.996 -15.635 27.562
234 HH12 ARG 25 HH12 ARG 25 25.838 -15.945 25.865
235 HH21 ARG 25 HH21 ARG 25 26.680 -12.713 24.929
236 HH22 ARG 25 HH22 ARG 25 26.225 -14.290 24.374
Start of MODEL 14
1 H1 PHE 1 H1 PHE 1 44.754 5.287 17.466
2 H2 PHE 1 H2 PHE 1 45.706 6.256 18.487
3 H3 PHE 1 H3 PHE 1 45.481 6.693 16.860
4 HA PHE 1 HA PHE 1 42.958 6.645 17.572
5 HB2 PHE 1 HB3 PHE 1 44.533 7.274 20.087
6 HB3 PHE 1 HB2 PHE 1 42.822 7.644 19.876
7 HD1 PHE 1 HD1 PHE 1 41.156 5.826 19.648
8 HD2 PHE 1 HD2 PHE 1 45.302 5.006 20.414
9 HE1 PHE 1 HE1 PHE 1 40.575 3.507 20.314
10 HE2 PHE 1 HE2 PHE 1 44.722 2.689 21.077
11 HZ PHE 1 HZ PHE 1 42.358 1.939 21.027
12 H ILE 2 HN ILE 2 44.524 7.999 15.805
13 HA ILE 2 HA ILE 2 44.900 10.766 16.797
14 HB ILE 2 HB ILE 2 45.387 9.628 14.025
15 HG12 ILE 2 HG13 ILE 2 47.407 10.161 16.219
16 HG13 ILE 2 HG12 ILE 2 46.720 8.568 15.907
17 HG21 ILE 2 HG21 ILE 2 46.699 12.071 15.213
18 HG22 ILE 2 HG22 ILE 2 45.114 12.213 14.465
19 HG23 ILE 2 HG23 ILE 2 46.483 11.642 13.518
20 HD11 ILE 2 HD11 ILE 2 48.075 10.199 13.751
21 HD12 ILE 2 HD12 ILE 2 47.651 8.487 13.709
22 HD13 ILE 2 HD13 ILE 2 48.949 9.049 14.763
23 H HIS 3 HN HIS 3 43.867 10.339 13.500
24 HA HIS 3 HA HIS 3 41.070 10.999 14.074
25 HB2 HIS 3 HB3 HIS 3 41.137 13.155 12.883
26 HB3 HIS 3 HB2 HIS 3 42.159 13.185 14.318
27 HD1 HIS 3 HD1 HIS 3 42.778 15.181 12.128
28 HD2 HIS 3 HD2 HIS 3 44.526 11.390 12.234
29 HE1 HIS 3 HE1 HIS 3 44.920 15.329 10.788
30 HE2 HIS 3 HE2 HIS 3 45.974 13.029 10.827
31 H HIS 4 HN HIS 4 43.558 9.981 11.963
32 HA HIS 4 HA HIS 4 41.685 9.806 9.643
33 HB2 HIS 4 HB3 HIS 4 43.600 9.530 8.252
34 HB3 HIS 4 HB2 HIS 4 44.026 10.816 9.380
35 HD1 HIS 4 HD1 HIS 4 46.224 10.496 10.535
36 HD2 HIS 4 HD2 HIS 4 44.572 6.873 9.303
37 HE1 HIS 4 HE1 HIS 4 47.918 8.702 11.122
38 HE2 HIS 4 HE2 HIS 4 46.923 6.489 10.375
39 H ILE 5 HN ILE 5 42.833 8.027 12.240
40 HA ILE 5 HA ILE 5 42.699 5.423 10.839
41 HB ILE 5 HB ILE 5 43.571 4.455 12.813
42 HG12 ILE 5 HG13 ILE 5 42.049 5.375 14.487
43 HG13 ILE 5 HG12 ILE 5 43.706 5.694 14.982
44 HG21 ILE 5 HG21 ILE 5 45.503 5.883 13.386
45 HG22 ILE 5 HG22 ILE 5 44.706 7.262 12.632
46 HG23 ILE 5 HG23 ILE 5 45.195 5.881 11.651
47 HD11 ILE 5 HD11 ILE 5 41.771 7.642 13.726
48 HD12 ILE 5 HD12 ILE 5 43.487 7.982 13.911
49 HD13 ILE 5 HD13 ILE 5 42.480 7.723 15.332
50 H ILE 6 HN ILE 6 40.509 7.584 12.000
51 HA ILE 6 HA ILE 6 38.692 5.612 13.246
52 HB ILE 6 HB ILE 6 37.180 7.854 13.120
53 HG12 ILE 6 HG13 ILE 6 39.958 9.017 13.346
54 HG13 ILE 6 HG12 ILE 6 39.152 8.920 11.786
55 HG21 ILE 6 HG21 ILE 6 38.089 8.453 15.344
56 HG22 ILE 6 HG22 ILE 6 39.472 7.398 15.051
57 HG23 ILE 6 HG23 ILE 6 37.854 6.712 15.182
58 HD11 ILE 6 HD11 ILE 6 37.986 10.249 14.244
59 HD12 ILE 6 HD12 ILE 6 37.276 10.228 12.629
60 HD13 ILE 6 HD13 ILE 6 38.779 11.104 12.921
61 H GLY 7 HN GLY 7 38.149 8.033 10.663
62 HA2 GLY 7 HA3 GLY 7 35.972 6.617 9.503
63 HA3 GLY 7 HA2 GLY 7 36.941 7.831 8.660
64 H GLY 8 HN GLY 8 39.000 5.556 9.821
65 HA2 GLY 8 HA3 GLY 8 39.157 4.177 7.175
66 HA3 GLY 8 HA2 GLY 8 40.476 4.300 8.349
67 H LEU 9 HN LEU 9 38.837 3.677 10.635
68 HA LEU 9 HA LEU 9 38.297 0.762 10.182
69 HB2 LEU 9 HB3 LEU 9 40.226 0.924 11.582
70 HB3 LEU 9 HB2 LEU 9 39.562 2.288 12.474
71 HG LEU 9 HG LEU 9 37.892 0.851 13.512
72 HD11 LEU 9 HD11 LEU 9 39.083 -1.242 11.676
73 HD12 LEU 9 HD12 LEU 9 37.398 -0.739 11.789
74 HD13 LEU 9 HD13 LEU 9 38.128 -1.670 13.095
75 HD21 LEU 9 HD21 LEU 9 39.410 -0.629 14.799
76 HD22 LEU 9 HD22 LEU 9 40.100 0.981 14.584
77 HD23 LEU 9 HD23 LEU 9 40.670 -0.365 13.595
78 H PHE 10 HN PHE 10 37.494 3.650 12.092
79 HA PHE 10 HA PHE 10 35.275 2.895 13.520
80 HB2 PHE 10 HB3 PHE 10 36.389 5.213 13.177
81 HB3 PHE 10 HB2 PHE 10 35.245 5.414 11.851
82 HD1 PHE 10 HD1 PHE 10 35.311 4.277 15.429
83 HD2 PHE 10 HD2 PHE 10 33.180 6.398 12.362
84 HE1 PHE 10 HE1 PHE 10 33.568 4.911 17.080
85 HE2 PHE 10 HE2 PHE 10 31.435 7.031 14.012
86 HZ PHE 10 HZ PHE 10 31.632 6.288 16.372
87 H SER 11 HN SER 11 35.492 3.244 10.025
88 HA SER 11 HA SER 11 32.710 3.303 9.418
89 HB2 SER 11 HB3 SER 11 35.096 2.212 7.908
90 HB3 SER 11 HB2 SER 11 33.464 2.176 7.238
91 HG SER 11 HG SER 11 34.833 4.081 6.761
92 H ALA 12 HN ALA 12 34.943 0.549 9.802
93 HA ALA 12 HA ALA 12 32.683 -1.352 9.684
94 HB1 ALA 12 HB1 ALA 12 34.513 -3.038 10.206
95 HB2 ALA 12 HB2 ALA 12 35.664 -1.704 10.110
96 HB3 ALA 12 HB3 ALA 12 34.724 -2.162 8.689
97 H GLY 13 HN GLY 13 34.712 0.330 11.952
98 HA2 GLY 13 HA3 GLY 13 34.413 -1.187 14.288
99 HA3 GLY 13 HA2 GLY 13 34.460 0.585 14.274
100 H LYS 14 HN LYS 14 32.180 1.122 12.783
101 HA LYS 14 HA LYS 14 30.100 1.079 14.712
102 HB2 LYS 14 HB3 LYS 14 29.984 1.249 11.687
103 HB3 LYS 14 HB2 LYS 14 28.572 1.468 12.720
104 HG2 LYS 14 HG3 LYS 14 29.498 3.406 13.752
105 HG3 LYS 14 HG2 LYS 14 31.106 3.074 13.098
106 HD2 LYS 14 HD3 LYS 14 30.340 3.522 10.838
107 HD3 LYS 14 HD2 LYS 14 28.675 3.694 11.395
108 HE2 LYS 14 HE3 LYS 14 30.971 5.461 12.288
109 HE3 LYS 14 HE2 LYS 14 29.812 5.893 11.032
110 HZ1 LYS 14 HZ1 LYS 14 29.498 6.440 13.636
111 HZ2 LYS 14 HZ2 LYS 14 28.635 4.983 13.509
112 HZ3 LYS 14 HZ3 LYS 14 28.220 6.307 12.529
113 H ALA 15 HN ALA 15 30.590 -1.061 11.896
114 HA ALA 15 HA ALA 15 28.402 -2.815 12.366
115 HB1 ALA 15 HB1 ALA 15 29.680 -2.892 10.282
116 HB2 ALA 15 HB2 ALA 15 29.721 -4.473 11.063
117 HB3 ALA 15 HB3 ALA 15 31.119 -3.403 11.162
118 H ILE 16 HN ILE 16 31.729 -2.815 13.627
119 HA ILE 16 HA ILE 16 31.291 -5.339 15.032
120 HB ILE 16 HB ILE 16 33.452 -3.209 15.153
121 HG12 ILE 16 HG13 ILE 16 34.822 -5.336 14.518
122 HG13 ILE 16 HG12 ILE 16 33.260 -6.049 14.132
123 HG21 ILE 16 HG21 ILE 16 34.653 -4.869 16.686
124 HG22 ILE 16 HG22 ILE 16 33.082 -5.634 16.927
125 HG23 ILE 16 HG23 ILE 16 33.333 -3.959 17.422
126 HD11 ILE 16 HD11 ILE 16 34.285 -3.442 12.979
127 HD12 ILE 16 HD12 ILE 16 32.807 -4.286 12.517
128 HD13 ILE 16 HD13 ILE 16 34.377 -5.000 12.160
129 H HIS 17 HN HIS 17 30.818 -1.955 15.588
130 HA HIS 17 HA HIS 17 30.437 -2.193 18.459
131 HB2 HIS 17 HB3 HIS 17 30.399 0.084 18.361
132 HB3 HIS 17 HB2 HIS 17 30.609 -0.047 16.627
133 HD1 HIS 17 HD1 HIS 17 28.544 0.389 15.136
134 HD2 HIS 17 HD2 HIS 17 27.695 0.444 19.212
135 HE1 HIS 17 HE1 HIS 17 26.189 1.282 15.353
136 HE2 HIS 17 HE2 HIS 17 25.658 1.340 17.836
137 H ARG 18 HN ARG 18 28.732 -3.206 15.760
138 HA ARG 18 HA ARG 18 26.080 -3.088 17.096
139 HB2 ARG 18 HB3 ARG 18 26.955 -3.980 14.344
140 HB3 ARG 18 HB2 ARG 18 25.327 -4.249 14.972
141 HG2 ARG 18 HG3 ARG 18 25.033 -1.857 15.338
142 HG3 ARG 18 HG2 ARG 18 26.684 -1.549 14.805
143 HD2 ARG 18 HD3 ARG 18 24.658 -1.274 13.113
144 HD3 ARG 18 HD2 ARG 18 26.185 -1.961 12.565
145 HE ARG 18 HE ARG 18 24.855 -4.200 13.334
146 HH11 ARG 18 HH11 ARG 18 23.373 -5.343 12.076
147 HH12 ARG 18 HH12 ARG 18 22.467 -4.515 10.855
148 HH21 ARG 18 HH21 ARG 18 23.917 -1.431 11.496
149 HH22 ARG 18 HH22 ARG 18 22.776 -2.300 10.527
150 H LEU 19 HN LEU 19 28.709 -5.228 16.361
151 HA LEU 19 HA LEU 19 27.370 -7.713 16.828
152 HB2 LEU 19 HB3 LEU 19 29.509 -7.985 15.909
153 HB3 LEU 19 HB2 LEU 19 30.208 -6.724 16.913
154 HG LEU 19 HG LEU 19 30.083 -8.239 18.884
155 HD11 LEU 19 HD11 LEU 19 29.241 -10.338 16.859
156 HD12 LEU 19 HD12 LEU 19 28.134 -9.584 18.002
157 HD13 LEU 19 HD13 LEU 19 29.469 -10.574 18.590
158 HD21 LEU 19 HD21 LEU 19 31.911 -9.657 18.236
159 HD22 LEU 19 HD22 LEU 19 32.076 -8.151 17.335
160 HD23 LEU 19 HD23 LEU 19 31.437 -9.590 16.540
161 H ILE 20 HN ILE 20 28.934 -5.344 18.927
162 HA ILE 20 HA ILE 20 28.544 -6.860 21.374
163 HB ILE 20 HB ILE 20 29.974 -5.229 22.101
164 HG12 ILE 20 HG13 ILE 20 27.720 -3.233 21.649
165 HG13 ILE 20 HG12 ILE 20 27.913 -4.210 23.103
166 HG21 ILE 20 HG21 ILE 20 29.135 -3.674 19.670
167 HG22 ILE 20 HG22 ILE 20 30.475 -4.804 19.746
168 HG23 ILE 20 HG23 ILE 20 30.535 -3.302 20.661
169 HD11 ILE 20 HD11 ILE 20 30.177 -3.176 23.408
170 HD12 ILE 20 HD12 ILE 20 28.855 -2.011 23.504
171 HD13 ILE 20 HD13 ILE 20 29.829 -2.121 22.038
172 H ARG 21 HN ARG 21 26.753 -4.175 19.876
173 HA ARG 21 HA ARG 21 24.707 -4.006 21.809
174 HB2 ARG 21 HB3 ARG 21 24.584 -3.550 18.820
175 HB3 ARG 21 HB2 ARG 21 23.289 -3.114 19.937
176 HG2 ARG 21 HG3 ARG 21 24.752 -1.611 21.142
177 HG3 ARG 21 HG2 ARG 21 26.141 -2.136 20.193
178 HD2 ARG 21 HD3 ARG 21 25.348 -0.023 19.307
179 HD3 ARG 21 HD2 ARG 21 24.994 -1.300 18.143
180 HE ARG 21 HE ARG 21 22.682 -1.010 18.578
181 HH11 ARG 21 HH11 ARG 21 20.961 0.138 19.484
182 HH12 ARG 21 HH12 ARG 21 21.266 1.253 20.774
183 HH21 ARG 21 HH21 ARG 21 24.680 0.658 20.839
184 HH22 ARG 21 HH22 ARG 21 23.370 1.547 21.541
185 H ARG 22 HN ARG 22 25.061 -6.097 18.993
186 HA ARG 22 HA ARG 22 22.516 -7.429 19.295
187 HB2 ARG 22 HB3 ARG 22 25.112 -8.149 17.917
188 HB3 ARG 22 HB2 ARG 22 23.748 -9.269 17.956
189 HG2 ARG 22 HG3 ARG 22 22.309 -7.586 16.896
190 HG3 ARG 22 HG2 ARG 22 23.639 -6.427 16.898
191 HD2 ARG 22 HD3 ARG 22 23.573 -7.399 14.703
192 HD3 ARG 22 HD2 ARG 22 24.963 -8.101 15.530
193 HE ARG 22 HE ARG 22 22.963 -9.910 16.069
194 HH11 ARG 22 HH11 ARG 22 22.455 -11.645 14.716
195 HH12 ARG 22 HH12 ARG 22 22.798 -11.535 13.022
196 HH21 ARG 22 HH21 ARG 22 24.137 -8.343 13.230
197 HH22 ARG 22 HH22 ARG 22 23.754 -9.667 12.183
198 H ARG 23 HN ARG 23 25.505 -7.515 20.959
199 HA ARG 23 HA ARG 23 24.942 -10.164 22.189
200 HB2 ARG 23 HB3 ARG 23 27.290 -9.352 21.387
201 HB3 ARG 23 HB2 ARG 23 27.292 -8.385 22.860
202 HG2 ARG 23 HG3 ARG 23 28.260 -10.340 23.670
203 HG3 ARG 23 HG2 ARG 23 26.563 -10.692 23.991
204 HD2 ARG 23 HD3 ARG 23 26.628 -11.676 21.522
205 HD3 ARG 23 HD2 ARG 23 28.357 -11.799 21.848
206 HE ARG 23 HE ARG 23 27.159 -12.942 24.077
207 HH11 ARG 23 HH11 ARG 23 26.719 -15.167 24.181
208 HH12 ARG 23 HH12 ARG 23 26.517 -16.062 22.712
209 HH21 ARG 23 HH21 ARG 23 27.022 -13.314 20.658
210 HH22 ARG 23 HH22 ARG 23 26.684 -15.011 20.716
211 H ARG 24 HN ARG 24 23.301 -7.714 22.703
212 HA ARG 24 HA ARG 24 23.918 -6.561 25.217
213 HB2 ARG 24 HB3 ARG 24 21.327 -6.345 25.374
214 HB3 ARG 24 HB2 ARG 24 22.153 -5.520 24.052
215 HG2 ARG 24 HG3 ARG 24 21.600 -7.309 22.508
216 HG3 ARG 24 HG2 ARG 24 20.923 -8.283 23.812
217 HD2 ARG 24 HD3 ARG 24 19.064 -7.263 22.720
218 HD3 ARG 24 HD2 ARG 24 19.294 -6.363 24.219
219 HE ARG 24 HE ARG 24 20.779 -4.893 22.470
220 HH11 ARG 24 HH11 ARG 24 19.980 -3.293 21.091
221 HH12 ARG 24 HH12 ARG 24 18.329 -3.362 20.569
222 HH21 ARG 24 HH21 ARG 24 17.616 -6.264 22.328
223 HH22 ARG 24 HH22 ARG 24 16.992 -5.043 21.270
224 H ARG 25 HN ARG 25 24.791 -8.357 26.416
225 HA ARG 25 HA ARG 25 23.425 -10.762 27.001
226 HB2 ARG 25 HB3 ARG 25 25.366 -9.206 28.738
227 HB3 ARG 25 HB2 ARG 25 24.901 -10.888 28.994
228 HG2 ARG 25 HG3 ARG 25 25.679 -11.284 26.563
229 HG3 ARG 25 HG2 ARG 25 26.465 -9.711 26.696
230 HD2 ARG 25 HD3 ARG 25 28.147 -11.236 27.345
231 HD3 ARG 25 HD2 ARG 25 27.512 -10.638 28.878
232 HE ARG 25 HE ARG 25 25.988 -12.905 28.317
233 HH11 ARG 25 HH11 ARG 25 26.580 -14.961 29.057
234 HH12 ARG 25 HH12 ARG 25 28.234 -15.281 29.458
235 HH21 ARG 25 HH21 ARG 25 29.320 -12.085 28.658
236 HH22 ARG 25 HH22 ARG 25 29.786 -13.652 29.229
Start of MODEL 15
1 H1 PHE 1 H1 PHE 1 45.955 7.289 15.589
2 H2 PHE 1 H2 PHE 1 45.879 5.821 16.441
3 H3 PHE 1 H3 PHE 1 46.724 7.142 17.093
4 HA PHE 1 HA PHE 1 43.798 6.824 16.770
5 HB2 PHE 1 HB3 PHE 1 45.035 5.934 18.813
6 HB3 PHE 1 HB2 PHE 1 45.445 7.609 19.188
7 HD1 PHE 1 HD1 PHE 1 43.941 8.909 20.443
8 HD2 PHE 1 HD2 PHE 1 42.501 5.443 18.354
9 HE1 PHE 1 HE1 PHE 1 41.706 9.219 21.470
10 HE2 PHE 1 HE2 PHE 1 40.266 5.753 19.381
11 HZ PHE 1 HZ PHE 1 39.868 7.640 20.939
12 H ILE 2 HN ILE 2 44.740 8.720 15.080
13 HA ILE 2 HA ILE 2 44.713 11.328 16.518
14 HB ILE 2 HB ILE 2 45.180 10.725 13.576
15 HG12 ILE 2 HG13 ILE 2 47.568 11.299 14.191
16 HG13 ILE 2 HG12 ILE 2 47.085 11.235 15.883
17 HG21 ILE 2 HG21 ILE 2 45.797 12.998 13.332
18 HG22 ILE 2 HG22 ILE 2 45.906 13.248 15.073
19 HG23 ILE 2 HG23 ILE 2 44.335 13.073 14.306
20 HD11 ILE 2 HD11 ILE 2 46.958 8.948 15.897
21 HD12 ILE 2 HD12 ILE 2 48.078 9.099 14.547
22 HD13 ILE 2 HD13 ILE 2 46.361 8.853 14.238
23 H HIS 3 HN HIS 3 43.451 10.996 13.264
24 HA HIS 3 HA HIS 3 40.656 11.084 14.148
25 HB2 HIS 3 HB3 HIS 3 40.210 13.285 13.131
26 HB3 HIS 3 HB2 HIS 3 41.353 13.415 14.464
27 HD1 HIS 3 HD1 HIS 3 41.385 15.630 12.409
28 HD2 HIS 3 HD2 HIS 3 43.760 12.219 12.022
29 HE1 HIS 3 HE1 HIS 3 43.308 16.254 10.885
30 HE2 HIS 3 HE2 HIS 3 44.744 14.183 10.631
31 H HIS 4 HN HIS 4 43.049 10.628 11.778
32 HA HIS 4 HA HIS 4 41.016 10.236 9.616
33 HB2 HIS 4 HB3 HIS 4 42.836 10.366 8.049
34 HB3 HIS 4 HB2 HIS 4 43.023 11.717 9.166
35 HD1 HIS 4 HD1 HIS 4 45.310 11.936 10.142
36 HD2 HIS 4 HD2 HIS 4 44.477 8.016 9.007
37 HE1 HIS 4 HE1 HIS 4 47.417 10.600 10.596
38 HE2 HIS 4 HE2 HIS 4 46.925 8.210 9.898
39 H ILE 5 HN ILE 5 42.825 8.610 11.938
40 HA ILE 5 HA ILE 5 43.048 6.111 10.392
41 HB ILE 5 HB ILE 5 44.227 5.228 12.243
42 HG12 ILE 5 HG13 ILE 5 42.664 5.743 14.056
43 HG13 ILE 5 HG12 ILE 5 44.264 6.335 14.483
44 HG21 ILE 5 HG21 ILE 5 45.460 7.009 11.090
45 HG22 ILE 5 HG22 ILE 5 45.879 6.979 12.801
46 HG23 ILE 5 HG23 ILE 5 44.778 8.211 12.186
47 HD11 ILE 5 HD11 ILE 5 41.932 7.964 13.469
48 HD12 ILE 5 HD12 ILE 5 43.564 8.605 13.607
49 HD13 ILE 5 HD13 ILE 5 42.700 8.067 15.045
50 H ILE 6 HN ILE 6 40.598 7.756 11.862
51 HA ILE 6 HA ILE 6 39.240 5.399 13.022
52 HB ILE 6 HB ILE 6 37.359 7.319 13.192
53 HG12 ILE 6 HG13 ILE 6 39.875 8.984 13.314
54 HG13 ILE 6 HG12 ILE 6 38.978 8.827 11.811
55 HG21 ILE 6 HG21 ILE 6 38.491 8.039 15.360
56 HG22 ILE 6 HG22 ILE 6 39.837 7.000 14.891
57 HG23 ILE 6 HG23 ILE 6 38.239 6.304 15.160
58 HD11 ILE 6 HD11 ILE 6 38.366 10.816 13.296
59 HD12 ILE 6 HD12 ILE 6 37.649 9.637 14.394
60 HD13 ILE 6 HD13 ILE 6 37.027 9.804 12.752
61 H GLY 7 HN GLY 7 38.456 7.829 10.505
62 HA2 GLY 7 HA3 GLY 7 36.273 6.390 9.398
63 HA3 GLY 7 HA2 GLY 7 37.240 7.576 8.513
64 H GLY 8 HN GLY 8 39.370 5.420 9.674
65 HA2 GLY 8 HA3 GLY 8 39.564 4.008 7.068
66 HA3 GLY 8 HA2 GLY 8 40.811 4.050 8.320
67 H LEU 9 HN LEU 9 39.022 3.386 10.491
68 HA LEU 9 HA LEU 9 38.242 0.567 9.828
69 HB2 LEU 9 HB3 LEU 9 39.124 -0.110 12.040
70 HB3 LEU 9 HB2 LEU 9 40.393 0.537 11.003
71 HG LEU 9 HG LEU 9 39.526 2.839 12.267
72 HD11 LEU 9 HD11 LEU 9 39.392 2.284 14.691
73 HD12 LEU 9 HD12 LEU 9 39.344 0.571 14.275
74 HD13 LEU 9 HD13 LEU 9 38.029 1.635 13.782
75 HD21 LEU 9 HD21 LEU 9 41.648 0.922 13.290
76 HD22 LEU 9 HD22 LEU 9 41.561 2.648 13.641
77 HD23 LEU 9 HD23 LEU 9 41.874 2.098 11.995
78 H PHE 10 HN PHE 10 37.836 3.420 11.843
79 HA PHE 10 HA PHE 10 35.830 2.706 13.600
80 HB2 PHE 10 HB3 PHE 10 36.935 4.986 13.185
81 HB3 PHE 10 HB2 PHE 10 35.710 5.231 11.938
82 HD1 PHE 10 HD1 PHE 10 36.060 4.219 15.528
83 HD2 PHE 10 HD2 PHE 10 33.627 6.122 12.547
84 HE1 PHE 10 HE1 PHE 10 34.435 4.885 17.282
85 HE2 PHE 10 HE2 PHE 10 32.000 6.790 14.299
86 HZ PHE 10 HZ PHE 10 32.404 6.170 16.666
87 H SER 11 HN SER 11 35.603 3.064 10.113
88 HA SER 11 HA SER 11 32.769 3.234 9.869
89 HB2 SER 11 HB3 SER 11 34.713 1.855 7.989
90 HB3 SER 11 HB2 SER 11 33.090 2.417 7.581
91 HG SER 11 HG SER 11 33.981 4.535 8.413
92 H ALA 12 HN ALA 12 34.911 0.367 9.878
93 HA ALA 12 HA ALA 12 32.575 -1.425 9.980
94 HB1 ALA 12 HB1 ALA 12 35.519 -2.081 10.295
95 HB2 ALA 12 HB2 ALA 12 34.651 -2.096 8.760
96 HB3 ALA 12 HB3 ALA 12 34.213 -3.236 10.034
97 H GLY 13 HN GLY 13 34.978 -0.027 12.118
98 HA2 GLY 13 HA3 GLY 13 34.700 -1.660 14.387
99 HA3 GLY 13 HA2 GLY 13 34.960 0.089 14.470
100 H LYS 14 HN LYS 14 32.648 0.986 13.221
101 HA LYS 14 HA LYS 14 30.738 1.010 15.340
102 HB2 LYS 14 HB3 LYS 14 30.485 1.599 12.381
103 HB3 LYS 14 HB2 LYS 14 29.140 1.802 13.506
104 HG2 LYS 14 HG3 LYS 14 30.288 3.471 14.751
105 HG3 LYS 14 HG2 LYS 14 31.838 3.068 14.007
106 HD2 LYS 14 HD3 LYS 14 30.920 5.137 13.039
107 HD3 LYS 14 HD2 LYS 14 31.002 3.861 11.828
108 HE2 LYS 14 HE3 LYS 14 28.824 5.218 11.919
109 HE3 LYS 14 HE2 LYS 14 28.661 3.464 11.933
110 HZ1 LYS 14 HZ1 LYS 14 28.406 3.501 14.305
111 HZ2 LYS 14 HZ2 LYS 14 27.282 4.575 13.618
112 HZ3 LYS 14 HZ3 LYS 14 28.690 5.172 14.360
113 H ALA 15 HN ALA 15 30.805 -0.842 12.308
114 HA ALA 15 HA ALA 15 28.410 -2.328 12.670
115 HB1 ALA 15 HB1 ALA 15 29.380 -3.934 11.105
116 HB2 ALA 15 HB2 ALA 15 30.983 -3.247 11.366
117 HB3 ALA 15 HB3 ALA 15 29.734 -2.292 10.566
118 H ILE 16 HN ILE 16 31.734 -2.919 13.794
119 HA ILE 16 HA ILE 16 30.981 -5.494 14.950
120 HB ILE 16 HB ILE 16 33.435 -3.731 15.039
121 HG12 ILE 16 HG13 ILE 16 34.487 -5.923 14.323
122 HG13 ILE 16 HG12 ILE 16 32.862 -6.593 14.227
123 HG21 ILE 16 HG21 ILE 16 32.818 -6.031 16.908
124 HG22 ILE 16 HG22 ILE 16 33.357 -4.405 17.330
125 HG23 ILE 16 HG23 ILE 16 34.469 -5.526 16.546
126 HD11 ILE 16 HD11 ILE 16 32.233 -4.913 12.567
127 HD12 ILE 16 HD12 ILE 16 33.680 -5.761 12.027
128 HD13 ILE 16 HD13 ILE 16 33.813 -4.145 12.716
129 H HIS 17 HN HIS 17 31.087 -2.155 15.891
130 HA HIS 17 HA HIS 17 30.741 -2.656 18.728
131 HB2 HIS 17 HB3 HIS 17 31.066 -0.404 18.869
132 HB3 HIS 17 HB2 HIS 17 31.178 -0.364 17.121
133 HD1 HIS 17 HD1 HIS 17 29.131 0.523 15.809
134 HD2 HIS 17 HD2 HIS 17 28.494 0.269 19.915
135 HE1 HIS 17 HE1 HIS 17 26.955 1.724 16.260
136 HE2 HIS 17 HE2 HIS 17 26.557 1.597 18.766
137 H ARG 18 HN ARG 18 28.805 -3.089 16.035
138 HA ARG 18 HA ARG 18 26.252 -2.698 17.510
139 HB2 ARG 18 HB3 ARG 18 26.913 -3.337 14.633
140 HB3 ARG 18 HB2 ARG 18 25.275 -3.466 15.278
141 HG2 ARG 18 HG3 ARG 18 25.275 -1.139 15.926
142 HG3 ARG 18 HG2 ARG 18 26.976 -0.974 15.501
143 HD2 ARG 18 HD3 ARG 18 25.144 -0.160 13.802
144 HD3 ARG 18 HD2 ARG 18 26.545 -1.042 13.201
145 HE ARG 18 HE ARG 18 24.590 -2.977 13.779
146 HH11 ARG 18 HH11 ARG 18 23.213 -3.742 12.154
147 HH12 ARG 18 HH12 ARG 18 22.957 -2.783 10.735
148 HH21 ARG 18 HH21 ARG 18 25.040 -0.212 11.774
149 HH22 ARG 18 HH22 ARG 18 23.992 -0.784 10.519
150 H LEU 19 HN LEU 19 28.452 -5.143 16.396
151 HA LEU 19 HA LEU 19 26.712 -7.400 16.676
152 HB2 LEU 19 HB3 LEU 19 28.700 -7.961 15.582
153 HB3 LEU 19 HB2 LEU 19 29.675 -6.928 16.616
154 HG LEU 19 HG LEU 19 29.452 -8.576 18.465
155 HD11 LEU 19 HD11 LEU 19 27.217 -9.490 17.565
156 HD12 LEU 19 HD12 LEU 19 28.368 -10.688 18.144
157 HD13 LEU 19 HD13 LEU 19 28.180 -10.410 16.414
158 HD21 LEU 19 HD21 LEU 19 30.352 -9.946 15.922
159 HD22 LEU 19 HD22 LEU 19 30.974 -10.184 17.555
160 HD23 LEU 19 HD23 LEU 19 31.284 -8.669 16.706
161 H ILE 20 HN ILE 20 28.755 -5.578 18.909
162 HA ILE 20 HA ILE 20 28.255 -7.303 21.189
163 HB ILE 20 HB ILE 20 29.955 -6.002 21.998
164 HG12 ILE 20 HG13 ILE 20 28.009 -3.658 21.934
165 HG13 ILE 20 HG12 ILE 20 28.129 -4.825 23.249
166 HG21 ILE 20 HG21 ILE 20 29.246 -4.048 19.827
167 HG22 ILE 20 HG22 ILE 20 30.392 -5.368 19.674
168 HG23 ILE 20 HG23 ILE 20 30.737 -4.019 20.752
169 HD11 ILE 20 HD11 ILE 20 30.219 -2.850 22.314
170 HD12 ILE 20 HD12 ILE 20 30.579 -4.169 23.429
171 HD13 ILE 20 HD13 ILE 20 29.426 -2.915 23.888
172 H ARG 21 HN ARG 21 26.841 -4.204 20.146
173 HA ARG 21 HA ARG 21 24.936 -3.966 22.199
174 HB2 ARG 21 HB3 ARG 21 24.735 -3.167 19.285
175 HB3 ARG 21 HB2 ARG 21 23.592 -2.657 20.530
176 HG2 ARG 21 HG3 ARG 21 25.350 -1.543 21.769
177 HG3 ARG 21 HG2 ARG 21 26.578 -2.176 20.677
178 HD2 ARG 21 HD3 ARG 21 25.919 0.206 20.213
179 HD3 ARG 21 HD2 ARG 21 25.712 -0.880 18.842
180 HE ARG 21 HE ARG 21 23.263 -0.792 20.299
181 HH11 ARG 21 HH11 ARG 21 21.578 0.487 19.499
182 HH12 ARG 21 HH12 ARG 21 21.931 1.761 18.381
183 HH21 ARG 21 HH21 ARG 21 25.344 1.149 18.350
184 HH22 ARG 21 HH22 ARG 21 24.062 2.136 17.730
185 H ARG 22 HN ARG 22 24.809 -5.749 19.159
186 HA ARG 22 HA ARG 22 22.110 -6.714 19.540
187 HB2 ARG 22 HB3 ARG 22 24.442 -7.675 17.864
188 HB3 ARG 22 HB2 ARG 22 22.892 -8.520 17.888
189 HG2 ARG 22 HG3 ARG 22 21.730 -6.580 17.070
190 HG3 ARG 22 HG2 ARG 22 23.159 -5.567 17.279
191 HD2 ARG 22 HD3 ARG 22 22.938 -6.160 14.926
192 HD3 ARG 22 HD2 ARG 22 24.352 -6.970 15.598
193 HE ARG 22 HE ARG 22 22.001 -8.649 15.777
194 HH11 ARG 22 HH11 ARG 22 21.922 -10.423 14.382
195 HH12 ARG 22 HH12 ARG 22 22.970 -10.472 13.003
196 HH21 ARG 22 HH21 ARG 22 24.453 -7.411 13.692
197 HH22 ARG 22 HH22 ARG 22 24.404 -8.764 12.612
198 H ARG 23 HN ARG 23 25.144 -7.409 20.936
199 HA ARG 23 HA ARG 23 24.282 -10.081 21.929
200 HB2 ARG 23 HB3 ARG 23 26.652 -9.553 20.993
201 HB3 ARG 23 HB2 ARG 23 26.921 -8.737 22.530
202 HG2 ARG 23 HG3 ARG 23 27.652 -10.875 23.090
203 HG3 ARG 23 HG2 ARG 23 25.954 -11.016 23.537
204 HD2 ARG 23 HD3 ARG 23 25.444 -12.032 21.360
205 HD3 ARG 23 HD2 ARG 23 27.124 -11.842 20.861
206 HE ARG 23 HE ARG 23 26.822 -13.372 23.329
207 HH11 ARG 23 HH11 ARG 23 27.401 -15.553 23.184
208 HH12 ARG 23 HH12 ARG 23 27.602 -16.279 21.624
209 HH21 ARG 23 HH21 ARG 23 26.837 -13.379 19.882
210 HH22 ARG 23 HH22 ARG 23 27.280 -15.049 19.754
211 H ARG 24 HN ARG 24 23.027 -7.550 22.863
212 HA ARG 24 HA ARG 24 24.022 -6.730 25.392
213 HB2 ARG 24 HB3 ARG 24 22.085 -5.713 24.051
214 HB3 ARG 24 HB2 ARG 24 21.085 -7.008 24.705
215 HG2 ARG 24 HG3 ARG 24 20.707 -5.371 26.313
216 HG3 ARG 24 HG2 ARG 24 22.099 -6.178 27.030
217 HD2 ARG 24 HD3 ARG 24 22.464 -3.768 27.074
218 HD3 ARG 24 HD2 ARG 24 23.583 -4.492 25.920
219 HE ARG 24 HE ARG 24 22.459 -3.339 24.191
220 HH11 ARG 24 HH11 ARG 24 20.858 -1.946 23.413
221 HH12 ARG 24 HH12 ARG 24 19.519 -1.530 24.431
222 HH21 ARG 24 HH21 ARG 24 20.616 -3.448 27.105
223 HH22 ARG 24 HH22 ARG 24 19.383 -2.380 26.521
224 H ARG 25 HN ARG 25 24.801 -8.805 26.258
225 HA ARG 25 HA ARG 25 23.144 -11.035 26.819
226 HB2 ARG 25 HB3 ARG 25 25.558 -9.995 28.334
227 HB3 ARG 25 HB2 ARG 25 24.848 -11.596 28.550
228 HG2 ARG 25 HG3 ARG 25 25.181 -11.948 26.049
229 HG3 ARG 25 HG2 ARG 25 26.151 -10.477 26.060
230 HD2 ARG 25 HD3 ARG 25 27.456 -11.623 28.005
231 HD3 ARG 25 HD2 ARG 25 26.711 -13.109 27.413
232 HE ARG 25 HE ARG 25 28.190 -13.030 25.584
233 HH11 ARG 25 HH11 ARG 25 29.753 -12.038 24.284
234 HH12 ARG 25 HH12 ARG 25 30.113 -10.359 24.514
235 HH21 ARG 25 HH21 ARG 25 27.827 -9.951 27.091
236 HH22 ARG 25 HH22 ARG 25 29.024 -9.178 26.105