Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
649242 | 6ucp RC | 30674 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 HT1 ARG 1 -13.483 4.255 0.358
2 H2 ARG 1 HT2 ARG 1 -12.798 5.682 -0.229
3 H3 ARG 1 HT3 ARG 1 -13.179 5.539 1.413
4 HA ARG 1 HA ARG 1 -11.165 3.920 -0.025
5 HB2 ARG 1 HB2 ARG 1 -9.572 5.200 1.513
6 HB3 ARG 1 HB1 ARG 1 -10.228 6.076 0.137
7 HG2 ARG 1 HG2 ARG 1 -11.705 7.309 1.493
8 HG3 ARG 1 HG1 ARG 1 -11.460 6.233 2.871
9 HD2 ARG 1 HD2 ARG 1 -9.288 7.943 1.671
10 HD3 ARG 1 HD1 ARG 1 -10.291 8.446 3.032
11 HE ARG 1 HE ARG 1 -9.031 5.908 3.462
12 HH11 ARG 1 HH11 ARG 1 -8.566 9.371 3.634
13 HH12 ARG 1 HH12 ARG 1 -7.325 9.271 4.843
14 HH21 ARG 1 HH21 ARG 1 -7.414 5.774 5.061
15 HH22 ARG 1 HH22 ARG 1 -6.670 7.225 5.656
16 HA PRO 2 HA PRO 2 -12.373 1.516 3.704
17 HB2 PRO 2 HB2 PRO 2 -11.363 -0.692 2.033
18 HB3 PRO 2 HB1 PRO 2 -12.919 -0.534 2.857
19 HG2 PRO 2 HG2 PRO 2 -12.718 -0.361 0.186
20 HG3 PRO 2 HG1 PRO 2 -13.881 0.617 1.100
21 HD2 PRO 2 HD2 PRO 2 -11.222 1.409 -0.038
22 HD3 PRO 2 HD1 PRO 2 -12.756 2.306 -0.030
23 H PHE 3 HN PHE 3 -9.608 0.964 1.548
24 HA PHE 3 HA PHE 3 -7.845 0.960 3.909
25 HB2 PHE 3 HB2 PHE 3 -7.559 -0.718 1.405
26 HB3 PHE 3 HB1 PHE 3 -6.428 -0.687 2.744
27 HD1 PHE 3 HD1 PHE 3 -9.500 -2.040 1.466
28 HD2 PHE 3 HD2 PHE 3 -7.139 -1.564 4.969
29 HE1 PHE 3 HE1 PHE 3 -10.789 -3.819 2.568
30 HE2 PHE 3 HE2 PHE 3 -8.416 -3.347 6.079
31 HZ PHE 3 HZ PHE 3 -10.248 -4.475 4.876
32 H NLE 4 HN NLE 4 -5.786 1.933 3.588
33 HA NLE 4 HA NLE 4 -5.033 3.031 1.049
34 HB2 NLE 4 HB1 NLE 4 -5.736 4.981 3.251
35 HB3 NLE 4 HB2 NLE 4 -6.802 4.622 1.903
36 HG2 NLE 4 HG1 NLE 4 -5.071 5.437 0.348
37 HG3 NLE 4 HG2 NLE 4 -4.068 5.870 1.736
38 HD2 NLE 4 HD1 NLE 4 -5.798 7.410 2.522
39 HD3 NLE 4 HD2 NLE 4 -6.824 6.965 1.151
40 HE1 NLE 4 HE1 NLE 4 -5.663 9.066 0.725
41 HE2 NLE 4 HE2 NLE 4 -5.121 7.813 -0.391
42 HE3 NLE 4 HE3 NLE 4 -4.111 8.270 0.980
43 H CYS 5 HN CYS 5 -2.861 3.340 0.988
44 HA CYS 5 HA CYS 5 -1.375 2.353 3.224
45 HB2 CYS 5 HB2 CYS 5 0.515 2.363 1.820
46 HB3 CYS 5 HB1 CYS 5 -0.835 2.008 0.754
47 H THR 6 HN THR 6 -2.247 5.440 2.066
48 HA THR 6 HA THR 6 -1.941 7.558 2.765
49 HB THR 6 HB THR 6 -1.790 7.931 5.205
50 HG1 THR 6 HG1 THR 6 -0.724 5.442 5.164
51 HG21 THR 6 HG21 THR 6 -3.665 5.691 4.442
52 HG22 THR 6 HG22 THR 6 -3.944 7.405 4.137
53 HG23 THR 6 HG23 THR 6 -3.867 6.805 5.795
54 H TRP 7 HN TRP 7 0.539 5.964 1.968
55 HA TRP 7 HA TRP 7 2.650 7.213 3.471
56 HB2 TRP 7 HB2 TRP 7 2.740 4.933 2.296
57 HB3 TRP 7 HB1 TRP 7 2.953 5.847 0.807
58 HD1 TRP 7 HD1 TRP 7 5.271 7.206 0.523
59 HE1 TRP 7 HE1 TRP 7 7.576 6.885 1.637
60 HE3 TRP 7 HE3 TRP 7 3.860 4.250 4.439
61 HZ2 TRP 7 HZ2 TRP 7 8.639 5.549 3.884
62 HZ3 TRP 7 HZ3 TRP 7 5.580 3.492 6.024
63 HH2 TRP 7 HH2 TRP 7 7.917 4.125 5.751
64 H SER 8 HN SER 8 3.865 8.942 2.897
65 HA SER 8 HA SER 8 2.693 10.985 1.437
66 HB2 SER 8 HB2 SER 8 5.625 10.662 2.092
67 HB3 SER 8 HB1 SER 8 4.787 12.176 1.745
68 HG SER 8 HG SER 8 3.395 11.474 3.621
69 H TYR 9 HN TYR 9 2.620 11.505 -0.620
70 HA TYR 9 HA TYR 9 3.010 11.637 -2.833
71 HB2 TYR 9 HB2 TYR 9 5.732 10.633 -2.035
72 HB3 TYR 9 HB1 TYR 9 5.312 11.073 -3.689
73 HD1 TYR 9 HD1 TYR 9 6.088 12.323 -0.352
74 HD2 TYR 9 HD2 TYR 9 4.779 13.400 -4.252
75 HE1 TYR 9 HE1 TYR 9 6.547 14.685 0.151
76 HE2 TYR 9 HE2 TYR 9 5.241 15.758 -3.763
77 HH TYR 9 HH TYR 9 7.029 16.771 -1.061
78 H CYS 10 HN CYS 10 2.063 9.159 -1.438
79 HA CYS 10 HA CYS 10 1.937 7.622 -3.923
80 HB2 CYS 10 HB2 CYS 10 3.539 6.475 -2.407
81 HB3 CYS 10 HB1 CYS 10 2.281 6.389 -1.184
82 H GLY 11 HN GLY 11 0.654 7.419 -0.598
83 HA2 GLY 11 HA2 GLY 11 -1.496 7.186 0.188
84 HA3 GLY 11 HA1 GLY 11 -1.797 8.547 -0.878
85 H LYS 12 HN LYS 12 -1.183 5.070 -1.435
86 HA LYS 12 HA LYS 12 -3.249 5.120 -3.473
87 HB2 LYS 12 HB2 LYS 12 -1.007 3.991 -3.802
88 HB3 LYS 12 HB1 LYS 12 -1.542 2.767 -2.657
89 HG2 LYS 12 HG2 LYS 12 -3.272 2.042 -4.097
90 HG3 LYS 12 HG1 LYS 12 -3.068 3.437 -5.157
91 HD2 LYS 12 HD2 LYS 12 -0.810 2.619 -5.742
92 HD3 LYS 12 HD1 LYS 12 -1.090 1.197 -4.736
93 HE2 LYS 12 HE2 LYS 12 -3.001 0.584 -6.144
94 HE3 LYS 12 HE1 LYS 12 -2.711 2.001 -7.152
95 HZ1 LYS 12 HZ1 LYS 12 -0.896 -0.323 -6.796
96 HZ2 LYS 12 HZ2 LYS 12 -0.503 1.068 -7.668
97 HZ3 LYS 12 HZ3 LYS 12 -1.767 0.076 -8.188
98 H ARG 13 HN ARG 13 -5.201 4.194 -3.317
99 HA ARG 13 HA ARG 13 -5.950 3.198 -0.663
100 HB2 ARG 13 HB2 ARG 13 -8.176 3.890 -1.131
101 HB3 ARG 13 HB1 ARG 13 -7.133 5.198 -1.669
102 HG2 ARG 13 HG2 ARG 13 -7.316 4.299 -3.984
103 HG3 ARG 13 HG1 ARG 13 -8.503 3.141 -3.384
104 HD2 ARG 13 HD2 ARG 13 -9.710 4.967 -4.308
105 HD3 ARG 13 HD1 ARG 13 -9.840 5.095 -2.554
106 HE ARG 13 HE ARG 13 -7.648 6.621 -3.346
107 HH11 ARG 13 HH11 ARG 13 -11.126 6.623 -3.732
108 HH12 ARG 13 HH12 ARG 13 -11.225 8.336 -3.969
109 HH21 ARG 13 HH21 ARG 13 -7.776 8.877 -3.663
110 HH22 ARG 13 HH22 ARG 13 -9.321 9.616 -3.930
111 H PHE 14 HN PHE 14 -7.361 1.382 -0.476
112 HA PHE 14 HA PHE 14 -7.546 -0.384 -2.800
113 HB2 PHE 14 HB2 PHE 14 -6.375 -1.243 -0.137
114 HB3 PHE 14 HB1 PHE 14 -6.677 -2.293 -1.517
115 HD1 PHE 14 HD1 PHE 14 -4.442 0.087 -0.005
116 HD2 PHE 14 HD2 PHE 14 -5.368 -1.998 -3.592
117 HE1 PHE 14 HE1 PHE 14 -2.201 0.598 -0.880
118 HE2 PHE 14 HE2 PHE 14 -3.132 -1.493 -4.470
119 HZ PHE 14 HZ PHE 14 -1.545 -0.193 -3.109
120 H THR 15 HN THR 15 -9.019 -2.184 -2.422
121 HA THR 15 HA THR 15 -11.073 -1.485 -0.436
122 HB THR 15 HB THR 15 -11.842 -1.236 -2.755
123 HG1 THR 15 HG1 THR 15 -12.969 -3.415 -1.303
124 HG21 THR 15 HG21 THR 15 -11.244 -4.186 -2.998
125 HG22 THR 15 HG22 THR 15 -10.398 -2.881 -3.829
126 HG23 THR 15 HG23 THR 15 -12.090 -3.210 -4.197
127 H ARG 16 HN ARG 16 -8.611 -3.525 -0.879
128 HA ARG 16 HA ARG 16 -9.850 -5.573 0.791
129 HB2 ARG 16 HB2 ARG 16 -8.466 -7.295 -0.561
130 HB3 ARG 16 HB1 ARG 16 -9.988 -6.725 -1.233
131 HG2 ARG 16 HG2 ARG 16 -8.738 -5.129 -2.623
132 HG3 ARG 16 HG1 ARG 16 -7.233 -5.786 -1.985
133 HD2 ARG 16 HD2 ARG 16 -9.310 -7.375 -3.489
134 HD3 ARG 16 HD1 ARG 16 -7.853 -6.697 -4.206
135 HE ARG 16 HE ARG 16 -7.047 -8.262 -2.043
136 HH11 ARG 16 HH11 ARG 16 -8.695 -8.711 -5.102
137 HH12 ARG 16 HH12 ARG 16 -8.066 -10.308 -5.350
138 HH21 ARG 16 HH21 ARG 16 -6.195 -10.352 -2.381
139 HH22 ARG 16 HH22 ARG 16 -6.655 -11.243 -3.805
140 H SER 17 HN SER 17 -8.568 -6.393 2.333
141 HA SER 17 HA SER 17 -6.544 -4.637 3.217
142 HB2 SER 17 HB2 SER 17 -6.371 -6.433 5.070
143 HB3 SER 17 HB1 SER 17 -7.894 -5.560 4.890
144 HG SER 17 HG SER 17 -8.213 -7.825 5.068
145 H ASP 18 HN ASP 18 -6.457 -7.881 1.851
146 HA ASP 18 HA ASP 18 -3.754 -8.436 2.451
147 HB2 ASP 18 HB2 ASP 18 -3.943 -10.283 0.974
148 HB3 ASP 18 HB1 ASP 18 -5.538 -10.091 1.689
149 H GLU 19 HN GLU 19 -5.315 -6.698 -0.131
150 HA GLU 19 HA GLU 19 -3.028 -6.515 -1.815
151 HB2 GLU 19 HB2 GLU 19 -5.435 -6.200 -2.525
152 HB3 GLU 19 HB1 GLU 19 -5.376 -4.625 -1.749
153 HG2 GLU 19 HG2 GLU 19 -5.027 -4.366 -4.097
154 HG3 GLU 19 HG1 GLU 19 -3.533 -3.988 -3.242
155 H LEU 20 HN LEU 20 -4.532 -4.363 0.582
156 HA LEU 20 HA LEU 20 -2.635 -2.299 0.417
157 HB2 LEU 20 HB2 LEU 20 -4.659 -1.879 1.603
158 HB3 LEU 20 HB1 LEU 20 -4.375 -3.223 2.693
159 HG LEU 20 HG LEU 20 -2.382 -2.006 3.582
160 HD11 LEU 20 HD11 LEU 20 -2.152 0.362 3.116
161 HD12 LEU 20 HD12 LEU 20 -3.480 0.279 1.960
162 HD13 LEU 20 HD13 LEU 20 -1.976 -0.584 1.639
163 HD21 LEU 20 HD21 LEU 20 -4.932 -0.434 3.823
164 HD22 LEU 20 HD22 LEU 20 -3.623 -0.540 4.994
165 HD23 LEU 20 HD23 LEU 20 -4.626 -1.952 4.661
166 H GLN 21 HN GLN 21 -2.777 -5.155 2.519
167 HA GLN 21 HA GLN 21 -0.460 -4.733 3.992
168 HB2 GLN 21 HB2 GLN 21 -2.096 -6.519 4.463
169 HB3 GLN 21 HB1 GLN 21 -1.597 -7.360 3.003
170 HG2 GLN 21 HG2 GLN 21 0.682 -7.560 3.972
171 HG3 GLN 21 HG1 GLN 21 0.055 -6.868 5.466
172 HE21 GLN 21 HE21 GLN 21 -1.377 -8.073 6.723
173 HE22 GLN 21 HE22 GLN 21 -1.548 -9.781 6.521
174 H ARG 22 HN ARG 22 -0.867 -6.525 0.965
175 HA ARG 22 HA ARG 22 1.802 -7.148 0.471
176 HB2 ARG 22 HB2 ARG 22 0.016 -8.155 -0.795
177 HB3 ARG 22 HB1 ARG 22 -0.489 -6.593 -1.417
178 HG2 ARG 22 HG2 ARG 22 1.718 -6.434 -2.572
179 HG3 ARG 22 HG1 ARG 22 2.027 -8.100 -2.074
180 HD2 ARG 22 HD2 ARG 22 0.104 -8.873 -3.295
181 HD3 ARG 22 HD1 ARG 22 -0.367 -7.220 -3.682
182 HE ARG 22 HE ARG 22 2.242 -8.140 -4.608
183 HH11 ARG 22 HH11 ARG 22 -1.092 -7.362 -5.352
184 HH12 ARG 22 HH12 ARG 22 -0.816 -7.264 -7.063
185 HH21 ARG 22 HH21 ARG 22 2.618 -7.987 -6.839
186 HH22 ARG 22 HH22 ARG 22 1.303 -7.621 -7.912
187 H HIS 23 HN HIS 23 -0.084 -4.295 -0.414
188 HA HIS 23 HA HIS 23 1.922 -3.028 -1.936
189 HB2 HIS 23 HB2 HIS 23 -0.409 -2.393 -2.151
190 HB3 HIS 23 HB1 HIS 23 -0.459 -1.885 -0.467
191 HD1 HIS 23 HD1 HIS 23 0.601 -0.714 -3.876
192 HD2 HIS 23 HD2 HIS 23 0.780 0.535 0.095
193 HE1 HIS 23 HE1 HIS 23 1.315 1.733 -3.916
194 H LYS 24 HN LYS 24 1.038 -2.762 1.494
195 HA LYS 24 HA LYS 24 2.751 -0.676 2.196
196 HB2 LYS 24 HB2 LYS 24 1.829 -3.048 3.810
197 HB3 LYS 24 HB1 LYS 24 2.738 -1.711 4.495
198 HG2 LYS 24 HG2 LYS 24 0.907 -0.186 3.713
199 HG3 LYS 24 HG1 LYS 24 -0.019 -1.630 3.299
200 HD2 LYS 24 HD2 LYS 24 1.047 -0.960 6.043
201 HD3 LYS 24 HD1 LYS 24 -0.621 -0.738 5.512
202 HE2 LYS 24 HE2 LYS 24 -0.860 -3.126 5.169
203 HE3 LYS 24 HE1 LYS 24 0.832 -3.382 5.593
204 HZ1 LYS 24 HZ1 LYS 24 -0.695 -3.870 7.429
205 HZ2 LYS 24 HZ2 LYS 24 -1.216 -2.264 7.427
206 HZ3 LYS 24 HZ3 LYS 24 0.386 -2.629 7.813
207 H ARG 25 HN ARG 25 3.407 -4.000 1.510
208 HA ARG 25 HA ARG 25 5.901 -4.248 2.773
209 HB2 ARG 25 HB2 ARG 25 4.789 -5.640 0.341
210 HB3 ARG 25 HB1 ARG 25 6.261 -6.128 1.169
211 HG2 ARG 25 HG2 ARG 25 5.002 -6.590 3.186
212 HG3 ARG 25 HG1 ARG 25 3.523 -6.024 2.413
213 HD2 ARG 25 HD2 ARG 25 3.739 -7.815 0.740
214 HD3 ARG 25 HD1 ARG 25 5.183 -8.394 1.568
215 HE ARG 25 HE ARG 25 3.106 -8.277 3.431
216 HH11 ARG 25 HH11 ARG 25 3.969 -10.082 0.561
217 HH12 ARG 25 HH12 ARG 25 3.101 -11.505 1.037
218 HH21 ARG 25 HH21 ARG 25 1.974 -11.552 3.044
219 HH22 ARG 25 HH22 ARG 25 1.979 -10.157 4.074
220 H THR 26 HN THR 26 5.011 -2.443 0.000
221 HA THR 26 HA THR 26 7.697 -2.445 -1.100
222 HB THR 26 HB THR 26 5.543 -2.267 -2.505
223 HG1 THR 26 HG1 THR 26 7.995 -1.170 -2.813
224 HG21 THR 26 HG21 THR 26 4.451 -0.464 -1.277
225 HG22 THR 26 HG22 THR 26 4.764 0.023 -2.942
226 HG23 THR 26 HG23 THR 26 5.795 0.617 -1.641
227 H HIS 27 HN HIS 27 5.866 -0.654 1.191
228 HA HIS 27 HA HIS 27 7.599 1.675 1.001
229 HB2 HIS 27 HB2 HIS 27 5.197 1.073 2.724
230 HB3 HIS 27 HB1 HIS 27 6.173 2.525 2.915
231 HD1 HIS 27 HD1 HIS 27 6.500 3.680 0.217
232 HD2 HIS 27 HD2 HIS 27 3.008 1.690 1.327
233 HE1 HIS 27 HE1 HIS 27 4.682 4.464 -1.379
234 H THR 28 HN THR 28 7.014 -1.078 3.086
235 HA THR 28 HA THR 28 9.348 -0.273 4.683
236 HB THR 28 HB THR 28 8.561 -2.128 6.243
237 HG1 THR 28 HG1 THR 28 7.126 -3.219 4.925
238 HG21 THR 28 HG21 THR 28 6.839 -0.714 7.287
239 HG22 THR 28 HG22 THR 28 6.750 0.253 5.814
240 HG23 THR 28 HG23 THR 28 8.233 0.234 6.767
241 H GLY 29 HN GLY 29 10.294 -0.990 2.443
242 HA2 GLY 29 HA2 GLY 29 11.624 -3.478 2.860
243 HA3 GLY 29 HA1 GLY 29 10.415 -3.609 1.588
244 H GLU 30 HN GLU 30 13.197 -1.680 2.624
245 HA GLU 30 HA GLU 30 13.540 -0.466 0.053
246 HB2 GLU 30 HB2 GLU 30 14.251 0.655 2.126
247 HB3 GLU 30 HB1 GLU 30 15.414 -0.627 2.423
248 HG2 GLU 30 HG2 GLU 30 16.615 0.000 0.388
249 HG3 GLU 30 HG1 GLU 30 15.458 1.303 0.118
250 H LYS 31 HN LYS 31 15.368 -2.896 1.900
251 HA LYS 31 HA LYS 31 16.344 -3.965 -0.664
252 HB2 LYS 31 HB2 LYS 31 17.930 -3.819 1.905
253 HB3 LYS 31 HB1 LYS 31 18.487 -4.492 0.383
254 HG2 LYS 31 HG2 LYS 31 18.366 -2.285 -0.647
255 HG3 LYS 31 HG1 LYS 31 17.779 -1.606 0.872
256 HD2 LYS 31 HD2 LYS 31 19.877 -2.344 1.961
257 HD3 LYS 31 HD1 LYS 31 20.460 -2.898 0.392
258 HE2 LYS 31 HE2 LYS 31 20.325 -0.630 -0.477
259 HE3 LYS 31 HE1 LYS 31 19.684 -0.061 1.063
260 HZ1 LYS 31 HZ1 LYS 31 21.743 -0.601 2.130
261 HZ2 LYS 31 HZ2 LYS 31 22.085 0.351 0.773
262 HZ3 LYS 31 HZ3 LYS 31 22.351 -1.316 0.722
263 HN1 NH2 32 HN1 NH2 32 16.626 -4.916 2.731
264 HN2 NH2 32 HN2 NH2 32 15.895 -6.473 2.546
Start of MODEL 2
1 H1 ARG 1 HT1 ARG 1 -13.039 3.656 -2.601
2 H2 ARG 1 HT2 ARG 1 -12.521 4.514 -1.241
3 H3 ARG 1 HT3 ARG 1 -13.874 3.509 -1.138
4 HA ARG 1 HA ARG 1 -12.562 1.570 -1.457
5 HB2 ARG 1 HB2 ARG 1 -10.317 3.557 -1.787
6 HB3 ARG 1 HB1 ARG 1 -10.039 1.851 -1.466
7 HG2 ARG 1 HG2 ARG 1 -11.514 2.947 -3.853
8 HG3 ARG 1 HG1 ARG 1 -9.832 2.416 -3.844
9 HD2 ARG 1 HD2 ARG 1 -10.556 0.160 -3.211
10 HD3 ARG 1 HD1 ARG 1 -12.235 0.695 -3.233
11 HE ARG 1 HE ARG 1 -10.700 1.026 -5.687
12 HH11 ARG 1 HH11 ARG 1 -13.088 -0.813 -3.896
13 HH12 ARG 1 HH12 ARG 1 -13.718 -1.604 -5.304
14 HH21 ARG 1 HH21 ARG 1 -11.532 -0.013 -7.541
15 HH22 ARG 1 HH22 ARG 1 -12.833 -1.152 -7.378
16 HA PRO 2 HA PRO 2 -12.648 2.029 2.933
17 HB2 PRO 2 HB2 PRO 2 -12.228 -0.583 3.574
18 HB3 PRO 2 HB1 PRO 2 -13.780 0.048 3.009
19 HG2 PRO 2 HG2 PRO 2 -11.652 -1.405 1.495
20 HG3 PRO 2 HG1 PRO 2 -13.413 -1.589 1.406
21 HD2 PRO 2 HD2 PRO 2 -11.997 -0.194 -0.428
22 HD3 PRO 2 HD1 PRO 2 -13.656 0.233 0.019
23 H PHE 3 HN PHE 3 -9.904 0.744 1.220
24 HA PHE 3 HA PHE 3 -8.262 1.158 3.631
25 HB2 PHE 3 HB2 PHE 3 -7.750 -0.765 1.346
26 HB3 PHE 3 HB1 PHE 3 -6.686 -0.511 2.722
27 HD1 PHE 3 HD1 PHE 3 -9.677 -2.139 1.512
28 HD2 PHE 3 HD2 PHE 3 -7.410 -1.197 4.983
29 HE1 PHE 3 HE1 PHE 3 -10.879 -3.879 2.765
30 HE2 PHE 3 HE2 PHE 3 -8.608 -2.933 6.244
31 HZ PHE 3 HZ PHE 3 -10.412 -4.220 5.152
32 H NLE 4 HN NLE 4 -6.196 2.105 3.332
33 HA NLE 4 HA NLE 4 -5.520 3.183 0.741
34 HB2 NLE 4 HB1 NLE 4 -6.172 5.008 3.059
35 HB3 NLE 4 HB2 NLE 4 -7.126 4.831 1.594
36 HG2 NLE 4 HG1 NLE 4 -5.261 5.715 0.276
37 HG3 NLE 4 HG2 NLE 4 -4.317 5.907 1.756
38 HD2 NLE 4 HD1 NLE 4 -6.034 7.454 2.622
39 HD3 NLE 4 HD2 NLE 4 -6.917 7.300 1.097
40 HE1 NLE 4 HE1 NLE 4 -4.107 8.349 1.423
41 HE2 NLE 4 HE2 NLE 4 -5.546 9.316 1.110
42 HE3 NLE 4 HE3 NLE 4 -4.971 8.178 -0.107
43 H CYS 5 HN CYS 5 -3.405 3.460 0.509
44 HA CYS 5 HA CYS 5 -1.579 2.736 2.580
45 HB2 CYS 5 HB2 CYS 5 -1.020 2.212 0.298
46 HB3 CYS 5 HB1 CYS 5 -1.188 3.894 -0.184
47 H THR 6 HN THR 6 -0.573 3.997 4.007
48 HA THR 6 HA THR 6 -1.185 6.848 3.961
49 HB THR 6 HB THR 6 -0.213 6.705 6.342
50 HG1 THR 6 HG1 THR 6 0.614 4.816 6.809
51 HG21 THR 6 HG21 THR 6 -2.713 5.168 5.623
52 HG22 THR 6 HG22 THR 6 -2.601 6.904 5.912
53 HG23 THR 6 HG23 THR 6 -2.316 5.771 7.233
54 H TRP 7 HN TRP 7 1.083 5.332 2.448
55 HA TRP 7 HA TRP 7 3.457 6.496 3.573
56 HB2 TRP 7 HB2 TRP 7 3.374 4.370 2.172
57 HB3 TRP 7 HB1 TRP 7 3.177 5.421 0.773
58 HD1 TRP 7 HD1 TRP 7 5.295 6.903 0.040
59 HE1 TRP 7 HE1 TRP 7 7.806 6.679 0.561
60 HE3 TRP 7 HE3 TRP 7 5.003 3.671 3.978
61 HZ2 TRP 7 HZ2 TRP 7 9.446 5.296 2.406
62 HZ3 TRP 7 HZ3 TRP 7 7.087 2.945 5.065
63 HH2 TRP 7 HH2 TRP 7 9.257 3.735 4.295
64 H SER 8 HN SER 8 4.473 8.303 3.013
65 HA SER 8 HA SER 8 3.070 10.509 2.161
66 HB2 SER 8 HB2 SER 8 6.064 10.176 1.948
67 HB3 SER 8 HB1 SER 8 5.163 11.666 2.236
68 HG SER 8 HG SER 8 5.288 11.226 4.276
69 H TYR 9 HN TYR 9 2.513 11.318 0.260
70 HA TYR 9 HA TYR 9 2.483 11.889 -1.928
71 HB2 TYR 9 HB2 TYR 9 5.217 10.646 -1.892
72 HB3 TYR 9 HB1 TYR 9 4.494 11.257 -3.374
73 HD1 TYR 9 HD1 TYR 9 5.649 12.230 0.009
74 HD2 TYR 9 HD2 TYR 9 4.448 13.571 -3.845
75 HE1 TYR 9 HE1 TYR 9 6.432 14.494 0.558
76 HE2 TYR 9 HE2 TYR 9 5.226 15.836 -3.307
77 HH TYR 9 HH TYR 9 7.152 16.516 -0.561
78 H CYS 10 HN CYS 10 2.609 8.695 -0.870
79 HA CYS 10 HA CYS 10 2.029 7.559 -3.469
80 HB2 CYS 10 HB2 CYS 10 3.352 6.299 -1.796
81 HB3 CYS 10 HB1 CYS 10 1.951 6.276 -0.737
82 H GLY 11 HN GLY 11 0.310 7.341 -0.348
83 HA2 GLY 11 HA2 GLY 11 -1.936 7.235 0.128
84 HA3 GLY 11 HA1 GLY 11 -2.050 8.578 -0.996
85 H LYS 12 HN LYS 12 -1.260 5.167 -1.588
86 HA LYS 12 HA LYS 12 -3.135 5.142 -3.781
87 HB2 LYS 12 HB2 LYS 12 -0.830 4.097 -3.837
88 HB3 LYS 12 HB1 LYS 12 -1.452 2.852 -2.764
89 HG2 LYS 12 HG2 LYS 12 -2.935 2.045 -4.403
90 HG3 LYS 12 HG1 LYS 12 -2.689 3.460 -5.429
91 HD2 LYS 12 HD2 LYS 12 -0.353 2.795 -5.771
92 HD3 LYS 12 HD1 LYS 12 -0.612 1.373 -4.763
93 HE2 LYS 12 HE2 LYS 12 -2.261 0.528 -6.338
94 HE3 LYS 12 HE1 LYS 12 -2.080 1.975 -7.329
95 HZ1 LYS 12 HZ1 LYS 12 0.040 -0.033 -6.786
96 HZ2 LYS 12 HZ2 LYS 12 0.230 1.363 -7.721
97 HZ3 LYS 12 HZ3 LYS 12 -0.817 0.139 -8.234
98 H ARG 13 HN ARG 13 -5.166 4.436 -3.669
99 HA ARG 13 HA ARG 13 -6.134 3.425 -1.125
100 HB2 ARG 13 HB2 ARG 13 -7.575 4.285 -3.634
101 HB3 ARG 13 HB1 ARG 13 -8.395 3.641 -2.224
102 HG2 ARG 13 HG2 ARG 13 -8.609 5.937 -1.989
103 HG3 ARG 13 HG1 ARG 13 -7.255 5.537 -0.931
104 HD2 ARG 13 HD2 ARG 13 -5.681 6.251 -2.636
105 HD3 ARG 13 HD1 ARG 13 -7.007 6.579 -3.751
106 HE ARG 13 HE ARG 13 -7.387 8.060 -1.384
107 HH11 ARG 13 HH11 ARG 13 -5.331 7.943 -4.212
108 HH12 ARG 13 HH12 ARG 13 -4.965 9.638 -4.178
109 HH21 ARG 13 HH21 ARG 13 -6.907 10.300 -1.331
110 HH22 ARG 13 HH22 ARG 13 -5.865 10.982 -2.540
111 H PHE 14 HN PHE 14 -7.327 1.517 -0.838
112 HA PHE 14 HA PHE 14 -7.265 -0.439 -3.025
113 HB2 PHE 14 HB2 PHE 14 -6.180 -0.930 -0.242
114 HB3 PHE 14 HB1 PHE 14 -6.416 -2.173 -1.469
115 HD1 PHE 14 HD1 PHE 14 -4.241 0.331 -0.186
116 HD2 PHE 14 HD2 PHE 14 -5.159 -1.951 -3.647
117 HE1 PHE 14 HE1 PHE 14 -2.014 0.828 -1.103
118 HE2 PHE 14 HE2 PHE 14 -2.936 -1.463 -4.568
119 HZ PHE 14 HZ PHE 14 -1.365 -0.073 -3.292
120 H THR 15 HN THR 15 -8.444 -2.501 -2.293
121 HA THR 15 HA THR 15 -10.867 -1.627 -0.866
122 HB THR 15 HB THR 15 -11.165 -1.849 -3.330
123 HG1 THR 15 HG1 THR 15 -12.626 -3.715 -1.739
124 HG21 THR 15 HG21 THR 15 -10.715 -4.785 -2.809
125 HG22 THR 15 HG22 THR 15 -9.632 -3.725 -3.710
126 HG23 THR 15 HG23 THR 15 -11.248 -4.071 -4.328
127 H ARG 16 HN ARG 16 -8.312 -3.823 -0.934
128 HA ARG 16 HA ARG 16 -9.700 -5.453 1.090
129 HB2 ARG 16 HB2 ARG 16 -7.758 -6.428 -1.010
130 HB3 ARG 16 HB1 ARG 16 -8.278 -7.386 0.369
131 HG2 ARG 16 HG2 ARG 16 -10.580 -7.289 -0.420
132 HG3 ARG 16 HG1 ARG 16 -10.071 -6.306 -1.792
133 HD2 ARG 16 HD2 ARG 16 -8.672 -8.133 -2.596
134 HD3 ARG 16 HD1 ARG 16 -9.136 -9.112 -1.206
135 HE ARG 16 HE ARG 16 -11.492 -8.404 -2.434
136 HH11 ARG 16 HH11 ARG 16 -8.592 -10.121 -3.353
137 HH12 ARG 16 HH12 ARG 16 -9.403 -11.158 -4.480
138 HH21 ARG 16 HH21 ARG 16 -12.579 -9.772 -3.909
139 HH22 ARG 16 HH22 ARG 16 -11.680 -10.963 -4.796
140 H SER 17 HN SER 17 -8.421 -6.217 2.810
141 HA SER 17 HA SER 17 -6.478 -4.325 3.661
142 HB2 SER 17 HB2 SER 17 -6.284 -5.887 5.644
143 HB3 SER 17 HB1 SER 17 -7.907 -5.282 5.318
144 HG SER 17 HG SER 17 -7.532 -7.664 5.711
145 H ASP 18 HN ASP 18 -6.298 -7.753 2.745
146 HA ASP 18 HA ASP 18 -3.516 -8.044 3.069
147 HB2 ASP 18 HB2 ASP 18 -3.728 -10.028 1.652
148 HB3 ASP 18 HB1 ASP 18 -5.038 -9.965 2.823
149 H GLU 19 HN GLU 19 -5.478 -6.815 0.500
150 HA GLU 19 HA GLU 19 -3.578 -6.641 -1.550
151 HB2 GLU 19 HB2 GLU 19 -5.968 -6.384 -1.919
152 HB3 GLU 19 HB1 GLU 19 -5.996 -4.946 -0.917
153 HG2 GLU 19 HG2 GLU 19 -4.596 -3.793 -2.553
154 HG3 GLU 19 HG1 GLU 19 -4.613 -5.238 -3.565
155 H LEU 20 HN LEU 20 -4.573 -4.275 0.911
156 HA LEU 20 HA LEU 20 -2.659 -2.311 0.235
157 HB2 LEU 20 HB2 LEU 20 -4.549 -1.633 1.485
158 HB3 LEU 20 HB1 LEU 20 -4.263 -2.844 2.718
159 HG LEU 20 HG LEU 20 -2.234 -1.621 3.428
160 HD11 LEU 20 HD11 LEU 20 -3.151 0.524 1.526
161 HD12 LEU 20 HD12 LEU 20 -1.789 -0.556 1.231
162 HD13 LEU 20 HD13 LEU 20 -1.746 0.568 2.587
163 HD21 LEU 20 HD21 LEU 20 -4.379 -1.221 4.526
164 HD22 LEU 20 HD22 LEU 20 -4.739 0.050 3.359
165 HD23 LEU 20 HD23 LEU 20 -3.393 0.240 4.484
166 H GLN 21 HN GLN 21 -2.634 -4.904 2.669
167 HA GLN 21 HA GLN 21 -0.216 -4.226 3.912
168 HB2 GLN 21 HB2 GLN 21 -1.449 -6.958 3.508
169 HB3 GLN 21 HB1 GLN 21 -0.110 -6.622 4.594
170 HG2 GLN 21 HG2 GLN 21 -2.829 -5.357 4.831
171 HG3 GLN 21 HG1 GLN 21 -2.331 -6.808 5.696
172 HE21 GLN 21 HE21 GLN 21 -2.602 -5.866 7.683
173 HE22 GLN 21 HE22 GLN 21 -1.536 -4.652 8.300
174 H ARG 22 HN ARG 22 -0.868 -6.379 1.190
175 HA ARG 22 HA ARG 22 1.731 -7.208 0.623
176 HB2 ARG 22 HB2 ARG 22 -0.350 -8.123 -0.387
177 HB3 ARG 22 HB1 ARG 22 -0.511 -6.650 -1.329
178 HG2 ARG 22 HG2 ARG 22 1.742 -7.194 -2.326
179 HG3 ARG 22 HG1 ARG 22 1.591 -8.778 -1.559
180 HD2 ARG 22 HD2 ARG 22 -0.204 -7.552 -3.639
181 HD3 ARG 22 HD1 ARG 22 0.790 -8.997 -3.788
182 HE ARG 22 HE ARG 22 -0.725 -10.058 -2.160
183 HH11 ARG 22 HH11 ARG 22 -1.844 -7.175 -3.815
184 HH12 ARG 22 HH12 ARG 22 -3.520 -7.601 -3.685
185 HH21 ARG 22 HH21 ARG 22 -2.943 -10.606 -1.980
186 HH22 ARG 22 HH22 ARG 22 -4.144 -9.539 -2.632
187 H HIS 23 HN HIS 23 -0.106 -4.430 -0.563
188 HA HIS 23 HA HIS 23 1.832 -3.367 -2.269
189 HB2 HIS 23 HB2 HIS 23 -0.372 -2.514 -2.462
190 HB3 HIS 23 HB1 HIS 23 -0.450 -2.114 -0.748
191 HD1 HIS 23 HD1 HIS 23 0.769 -0.757 -4.043
192 HD2 HIS 23 HD2 HIS 23 0.818 0.244 0.006
193 HE1 HIS 23 HE1 HIS 23 1.650 1.631 -3.890
194 H LYS 24 HN LYS 24 1.218 -2.685 1.177
195 HA LYS 24 HA LYS 24 3.050 -0.603 1.466
196 HB2 LYS 24 HB2 LYS 24 2.185 -2.645 3.509
197 HB3 LYS 24 HB1 LYS 24 3.067 -1.171 3.884
198 HG2 LYS 24 HG2 LYS 24 1.158 0.105 2.853
199 HG3 LYS 24 HG1 LYS 24 0.278 -1.422 2.791
200 HD2 LYS 24 HD2 LYS 24 -0.368 -0.220 4.775
201 HD3 LYS 24 HD1 LYS 24 0.568 -1.644 5.239
202 HE2 LYS 24 HE2 LYS 24 2.547 -0.270 5.552
203 HE3 LYS 24 HE1 LYS 24 1.671 1.159 5.009
204 HZ1 LYS 24 HZ1 LYS 24 0.218 0.953 6.913
205 HZ2 LYS 24 HZ2 LYS 24 1.827 1.050 7.416
206 HZ3 LYS 24 HZ3 LYS 24 1.028 -0.438 7.426
207 H ARG 25 HN ARG 25 3.583 -4.010 1.240
208 HA ARG 25 HA ARG 25 6.142 -4.092 2.428
209 HB2 ARG 25 HB2 ARG 25 4.861 -5.894 0.376
210 HB3 ARG 25 HB1 ARG 25 6.388 -6.244 1.177
211 HG2 ARG 25 HG2 ARG 25 5.225 -6.206 3.348
212 HG3 ARG 25 HG1 ARG 25 3.703 -5.933 2.503
213 HD2 ARG 25 HD2 ARG 25 3.906 -8.269 3.047
214 HD3 ARG 25 HD1 ARG 25 4.032 -8.063 1.301
215 HE ARG 25 HE ARG 25 6.613 -8.037 2.120
216 HH11 ARG 25 HH11 ARG 25 3.950 -10.244 2.651
217 HH12 ARG 25 HH12 ARG 25 4.969 -11.640 2.786
218 HH21 ARG 25 HH21 ARG 25 7.244 -11.435 2.574
219 HH22 ARG 25 HH22 ARG 25 7.957 -9.880 2.279
220 H THR 26 HN THR 26 5.062 -2.842 -0.576
221 HA THR 26 HA THR 26 7.571 -3.161 -1.941
222 HB THR 26 HB THR 26 5.228 -2.878 -3.026
223 HG1 THR 26 HG1 THR 26 7.608 -2.603 -3.915
224 HG21 THR 26 HG21 THR 26 4.576 -0.788 -1.970
225 HG22 THR 26 HG22 THR 26 4.732 -0.552 -3.710
226 HG23 THR 26 HG23 THR 26 6.001 0.017 -2.628
227 H HIS 27 HN HIS 27 6.343 -1.000 0.399
228 HA HIS 27 HA HIS 27 8.302 1.065 -0.252
229 HB2 HIS 27 HB2 HIS 27 6.271 0.908 1.977
230 HB3 HIS 27 HB1 HIS 27 7.374 2.251 1.727
231 HD1 HIS 27 HD1 HIS 27 7.017 3.368 -0.888
232 HD2 HIS 27 HD2 HIS 27 3.879 1.353 0.980
233 HE1 HIS 27 HE1 HIS 27 4.860 4.193 -1.979
234 H THR 28 HN THR 28 7.366 -0.598 2.752
235 HA THR 28 HA THR 28 10.206 -0.518 3.531
236 HB THR 28 HB THR 28 8.885 1.208 4.701
237 HG1 THR 28 HG1 THR 28 9.950 0.843 6.515
238 HG21 THR 28 HG21 THR 28 7.221 0.515 6.390
239 HG22 THR 28 HG22 THR 28 7.339 -1.141 5.797
240 HG23 THR 28 HG23 THR 28 6.716 0.129 4.746
241 H GLY 29 HN GLY 29 8.181 -2.643 2.483
242 HA2 GLY 29 HA2 GLY 29 7.962 -4.599 4.531
243 HA3 GLY 29 HA1 GLY 29 7.868 -4.911 2.801
244 H GLU 30 HN GLU 30 10.491 -3.710 2.329
245 HA GLU 30 HA GLU 30 12.136 -5.972 3.182
246 HB2 GLU 30 HB2 GLU 30 13.697 -5.116 1.391
247 HB3 GLU 30 HB1 GLU 30 12.130 -5.668 0.814
248 HG2 GLU 30 HG2 GLU 30 11.381 -3.286 0.820
249 HG3 GLU 30 HG1 GLU 30 13.043 -2.827 1.183
250 H LYS 31 HN LYS 31 11.385 -3.414 4.709
251 HA LYS 31 HA LYS 31 14.127 -2.779 5.548
252 HB2 LYS 31 HB2 LYS 31 11.907 -0.753 5.200
253 HB3 LYS 31 HB1 LYS 31 13.499 -0.419 5.861
254 HG2 LYS 31 HG2 LYS 31 14.503 -1.032 3.702
255 HG3 LYS 31 HG1 LYS 31 12.888 -1.308 3.049
256 HD2 LYS 31 HD2 LYS 31 13.607 0.877 2.371
257 HD3 LYS 31 HD1 LYS 31 12.342 1.068 3.585
258 HE2 LYS 31 HE2 LYS 31 14.154 2.634 3.991
259 HE3 LYS 31 HE1 LYS 31 14.056 1.455 5.298
260 HZ1 LYS 31 HZ1 LYS 31 16.342 1.853 4.601
261 HZ2 LYS 31 HZ2 LYS 31 15.973 1.348 3.031
262 HZ3 LYS 31 HZ3 LYS 31 15.894 0.250 4.311
263 HN1 NH2 32 HN1 NH2 32 11.108 -1.380 6.686
264 HN2 NH2 32 HN2 NH2 32 11.151 -2.098 8.258
Start of MODEL 3
1 H1 ARG 1 HT1 ARG 1 -12.740 5.798 -0.347
2 H2 ARG 1 HT2 ARG 1 -12.881 5.692 1.334
3 H3 ARG 1 HT3 ARG 1 -13.599 4.520 0.354
4 HA ARG 1 HA ARG 1 -11.430 3.792 -0.408
5 HB2 ARG 1 HB2 ARG 1 -10.418 5.783 1.633
6 HB3 ARG 1 HB1 ARG 1 -9.424 4.645 0.734
7 HG2 ARG 1 HG2 ARG 1 -9.880 5.760 -1.323
8 HG3 ARG 1 HG1 ARG 1 -11.096 6.785 -0.560
9 HD2 ARG 1 HD2 ARG 1 -9.328 7.775 0.852
10 HD3 ARG 1 HD1 ARG 1 -8.132 6.791 0.009
11 HE ARG 1 HE ARG 1 -9.139 8.034 -2.053
12 HH11 ARG 1 HH11 ARG 1 -8.536 9.385 1.121
13 HH12 ARG 1 HH12 ARG 1 -8.232 10.985 0.524
14 HH21 ARG 1 HH21 ARG 1 -8.741 10.148 -2.844
15 HH22 ARG 1 HH22 ARG 1 -8.342 11.416 -1.729
16 HA PRO 2 HA PRO 2 -12.738 1.228 3.120
17 HB2 PRO 2 HB2 PRO 2 -11.436 -0.854 1.467
18 HB3 PRO 2 HB1 PRO 2 -13.067 -0.818 2.150
19 HG2 PRO 2 HG2 PRO 2 -12.678 -0.475 -0.466
20 HG3 PRO 2 HG1 PRO 2 -13.910 0.458 0.402
21 HD2 PRO 2 HD2 PRO 2 -11.163 1.300 -0.464
22 HD3 PRO 2 HD1 PRO 2 -12.696 2.190 -0.558
23 H PHE 3 HN PHE 3 -9.666 0.864 1.397
24 HA PHE 3 HA PHE 3 -8.263 1.000 3.971
25 HB2 PHE 3 HB2 PHE 3 -7.609 -0.936 1.727
26 HB3 PHE 3 HB1 PHE 3 -6.662 -0.715 3.192
27 HD1 PHE 3 HD1 PHE 3 -9.618 -2.216 1.728
28 HD2 PHE 3 HD2 PHE 3 -7.550 -1.442 5.364
29 HE1 PHE 3 HE1 PHE 3 -11.011 -3.890 2.871
30 HE2 PHE 3 HE2 PHE 3 -8.937 -3.116 6.514
31 HZ PHE 3 HZ PHE 3 -10.671 -4.343 5.266
32 H NLE 4 HN NLE 4 -6.195 2.018 3.818
33 HA NLE 4 HA NLE 4 -5.576 3.213 1.226
34 HB2 NLE 4 HB1 NLE 4 -5.831 4.888 3.721
35 HB3 NLE 4 HB2 NLE 4 -7.116 4.726 2.534
36 HG2 NLE 4 HG1 NLE 4 -5.673 5.688 0.823
37 HG3 NLE 4 HG2 NLE 4 -4.369 5.841 2.004
38 HD2 NLE 4 HD1 NLE 4 -5.724 7.374 3.333
39 HD3 NLE 4 HD2 NLE 4 -7.065 7.195 2.189
40 HE1 NLE 4 HE1 NLE 4 -5.816 9.247 1.758
41 HE2 NLE 4 HE2 NLE 4 -5.663 8.122 0.408
42 HE3 NLE 4 HE3 NLE 4 -4.335 8.315 1.553
43 H CYS 5 HN CYS 5 -3.504 3.365 0.835
44 HA CYS 5 HA CYS 5 -1.537 2.308 2.540
45 HB2 CYS 5 HB2 CYS 5 -0.868 2.173 0.351
46 HB3 CYS 5 HB1 CYS 5 -1.562 3.734 -0.068
47 H THR 6 HN THR 6 -2.351 5.633 1.684
48 HA THR 6 HA THR 6 -2.190 7.586 2.808
49 HB THR 6 HB THR 6 -1.322 6.100 5.277
50 HG1 THR 6 HG1 THR 6 -3.092 4.940 4.816
51 HG21 THR 6 HG21 THR 6 -2.651 7.820 6.407
52 HG22 THR 6 HG22 THR 6 -3.083 8.518 4.846
53 HG23 THR 6 HG23 THR 6 -1.407 8.553 5.392
54 H TRP 7 HN TRP 7 0.455 5.635 2.268
55 HA TRP 7 HA TRP 7 2.534 6.990 3.607
56 HB2 TRP 7 HB2 TRP 7 2.567 4.717 2.373
57 HB3 TRP 7 HB1 TRP 7 2.837 5.668 0.921
58 HD1 TRP 7 HD1 TRP 7 5.110 7.403 1.195
59 HE1 TRP 7 HE1 TRP 7 7.423 6.741 2.115
60 HE3 TRP 7 HE3 TRP 7 3.758 3.243 3.815
61 HZ2 TRP 7 HZ2 TRP 7 8.524 4.694 3.729
62 HZ3 TRP 7 HZ3 TRP 7 5.498 1.980 5.013
63 HH2 TRP 7 HH2 TRP 7 7.827 2.691 4.968
64 H SER 8 HN SER 8 3.707 8.758 3.076
65 HA SER 8 HA SER 8 2.587 10.757 1.497
66 HB2 SER 8 HB2 SER 8 4.197 11.100 3.376
67 HB3 SER 8 HB1 SER 8 5.486 10.526 2.323
68 HG SER 8 HG SER 8 5.405 12.775 2.275
69 H TYR 9 HN TYR 9 3.016 11.558 -0.507
70 HA TYR 9 HA TYR 9 3.513 11.558 -2.711
71 HB2 TYR 9 HB2 TYR 9 5.945 9.977 -1.861
72 HB3 TYR 9 HB1 TYR 9 5.717 10.730 -3.436
73 HD1 TYR 9 HD1 TYR 9 6.922 11.177 -0.121
74 HD2 TYR 9 HD2 TYR 9 5.359 13.285 -3.467
75 HE1 TYR 9 HE1 TYR 9 7.913 13.256 0.732
76 HE2 TYR 9 HE2 TYR 9 6.345 15.369 -2.621
77 HH TYR 9 HH TYR 9 7.127 16.328 -0.516
78 H CYS 10 HN CYS 10 2.039 9.301 -1.383
79 HA CYS 10 HA CYS 10 1.956 7.639 -3.785
80 HB2 CYS 10 HB2 CYS 10 3.348 6.504 -2.055
81 HB3 CYS 10 HB1 CYS 10 1.955 6.516 -0.986
82 H GLY 11 HN GLY 11 0.362 7.570 -0.589
83 HA2 GLY 11 HA2 GLY 11 -1.862 7.546 -0.010
84 HA3 GLY 11 HA1 GLY 11 -2.007 8.826 -1.201
85 H LYS 12 HN LYS 12 -1.348 5.346 -1.566
86 HA LYS 12 HA LYS 12 -3.314 5.219 -3.684
87 HB2 LYS 12 HB2 LYS 12 -1.085 4.099 -3.853
88 HB3 LYS 12 HB1 LYS 12 -1.581 3.007 -2.567
89 HG2 LYS 12 HG2 LYS 12 -3.278 2.050 -3.923
90 HG3 LYS 12 HG1 LYS 12 -3.065 3.286 -5.165
91 HD2 LYS 12 HD2 LYS 12 -0.779 2.457 -5.563
92 HD3 LYS 12 HD1 LYS 12 -1.045 1.194 -4.362
93 HE2 LYS 12 HE2 LYS 12 -1.368 0.319 -6.609
94 HE3 LYS 12 HE1 LYS 12 -2.884 0.303 -5.712
95 HZ1 LYS 12 HZ1 LYS 12 -3.571 2.289 -6.860
96 HZ2 LYS 12 HZ2 LYS 12 -3.153 1.101 -7.988
97 HZ3 LYS 12 HZ3 LYS 12 -2.093 2.381 -7.676
98 H ARG 13 HN ARG 13 -5.223 4.116 -3.635
99 HA ARG 13 HA ARG 13 -6.202 3.371 -0.970
100 HB2 ARG 13 HB2 ARG 13 -8.417 3.750 -1.819
101 HB3 ARG 13 HB1 ARG 13 -7.419 5.114 -2.304
102 HG2 ARG 13 HG2 ARG 13 -7.147 4.051 -4.533
103 HG3 ARG 13 HG1 ARG 13 -8.282 2.803 -4.024
104 HD2 ARG 13 HD2 ARG 13 -9.984 4.542 -3.650
105 HD3 ARG 13 HD1 ARG 13 -8.846 5.757 -4.231
106 HE ARG 13 HE ARG 13 -8.888 4.090 -6.300
107 HH11 ARG 13 HH11 ARG 13 -11.526 5.385 -4.400
108 HH12 ARG 13 HH12 ARG 13 -12.664 5.335 -5.706
109 HH21 ARG 13 HH21 ARG 13 -10.381 4.028 -8.033
110 HH22 ARG 13 HH22 ARG 13 -12.011 4.569 -7.780
111 H PHE 14 HN PHE 14 -7.423 1.455 -0.661
112 HA PHE 14 HA PHE 14 -7.314 -0.559 -2.789
113 HB2 PHE 14 HB2 PHE 14 -6.380 -1.040 0.055
114 HB3 PHE 14 HB1 PHE 14 -6.506 -2.261 -1.209
115 HD1 PHE 14 HD1 PHE 14 -4.542 0.410 0.181
116 HD2 PHE 14 HD2 PHE 14 -5.029 -2.146 -3.178
117 HE1 PHE 14 HE1 PHE 14 -2.266 0.954 -0.562
118 HE2 PHE 14 HE2 PHE 14 -2.752 -1.607 -3.923
119 HZ PHE 14 HZ PHE 14 -1.374 -0.056 -2.610
120 H THR 15 HN THR 15 -8.809 -2.274 -2.516
121 HA THR 15 HA THR 15 -11.119 -1.501 -0.899
122 HB THR 15 HB THR 15 -12.306 -3.224 -2.348
123 HG1 THR 15 HG1 THR 15 -10.874 -4.402 -3.425
124 HG21 THR 15 HG21 THR 15 -11.045 -0.827 -3.683
125 HG22 THR 15 HG22 THR 15 -12.529 -0.824 -2.731
126 HG23 THR 15 HG23 THR 15 -12.467 -1.689 -4.265
127 H ARG 16 HN ARG 16 -8.574 -3.734 -0.999
128 HA ARG 16 HA ARG 16 -9.877 -5.277 1.127
129 HB2 ARG 16 HB2 ARG 16 -9.040 -7.369 0.248
130 HB3 ARG 16 HB1 ARG 16 -10.004 -6.573 -0.981
131 HG2 ARG 16 HG2 ARG 16 -8.037 -5.890 -2.164
132 HG3 ARG 16 HG1 ARG 16 -7.004 -6.489 -0.865
133 HD2 ARG 16 HD2 ARG 16 -8.785 -8.141 -2.653
134 HD3 ARG 16 HD1 ARG 16 -7.025 -8.060 -2.710
135 HE ARG 16 HE ARG 16 -8.046 -8.873 -0.150
136 HH11 ARG 16 HH11 ARG 16 -7.125 -9.965 -3.342
137 HH12 ARG 16 HH12 ARG 16 -6.852 -11.604 -2.841
138 HH21 ARG 16 HH21 ARG 16 -7.661 -11.018 0.524
139 HH22 ARG 16 HH22 ARG 16 -7.154 -12.202 -0.637
140 H SER 17 HN SER 17 -8.524 -6.037 2.732
141 HA SER 17 HA SER 17 -6.404 -4.240 3.293
142 HB2 SER 17 HB2 SER 17 -6.174 -5.658 5.381
143 HB3 SER 17 HB1 SER 17 -7.767 -4.956 5.104
144 HG SER 17 HG SER 17 -7.212 -7.475 5.492
145 H ASP 18 HN ASP 18 -6.498 -7.553 2.154
146 HA ASP 18 HA ASP 18 -3.800 -8.204 2.669
147 HB2 ASP 18 HB2 ASP 18 -5.780 -9.246 0.653
148 HB3 ASP 18 HB1 ASP 18 -4.128 -9.845 0.727
149 H GLU 19 HN GLU 19 -5.381 -6.514 0.054
150 HA GLU 19 HA GLU 19 -3.171 -6.464 -1.721
151 HB2 GLU 19 HB2 GLU 19 -5.699 -5.904 -2.123
152 HB3 GLU 19 HB1 GLU 19 -5.225 -4.285 -1.636
153 HG2 GLU 19 HG2 GLU 19 -5.167 -4.420 -4.008
154 HG3 GLU 19 HG1 GLU 19 -3.510 -4.312 -3.414
155 H LEU 20 HN LEU 20 -4.408 -4.248 0.729
156 HA LEU 20 HA LEU 20 -2.472 -2.244 0.472
157 HB2 LEU 20 HB2 LEU 20 -4.451 -1.803 1.725
158 HB3 LEU 20 HB1 LEU 20 -4.144 -3.147 2.805
159 HG LEU 20 HG LEU 20 -2.181 -1.954 3.710
160 HD11 LEU 20 HD11 LEU 20 -1.667 -0.613 1.724
161 HD12 LEU 20 HD12 LEU 20 -1.820 0.379 3.173
162 HD13 LEU 20 HD13 LEU 20 -3.132 0.334 1.996
163 HD21 LEU 20 HD21 LEU 20 -3.425 -0.286 4.966
164 HD22 LEU 20 HD22 LEU 20 -4.368 -1.766 4.792
165 HD23 LEU 20 HD23 LEU 20 -4.738 -0.363 3.791
166 H GLN 21 HN GLN 21 -2.536 -5.182 2.460
167 HA GLN 21 HA GLN 21 -0.145 -4.736 3.843
168 HB2 GLN 21 HB2 GLN 21 -1.546 -7.285 3.053
169 HB3 GLN 21 HB1 GLN 21 -0.077 -7.279 4.021
170 HG2 GLN 21 HG2 GLN 21 -2.708 -6.006 4.742
171 HG3 GLN 21 HG1 GLN 21 -2.010 -7.463 5.448
172 HE21 GLN 21 HE21 GLN 21 -0.224 -7.278 6.815
173 HE22 GLN 21 HE22 GLN 21 0.191 -5.777 7.572
174 H ARG 22 HN ARG 22 -0.707 -6.468 0.794
175 HA ARG 22 HA ARG 22 1.939 -7.190 0.236
176 HB2 ARG 22 HB2 ARG 22 -0.243 -6.382 -1.700
177 HB3 ARG 22 HB1 ARG 22 1.234 -7.225 -2.137
178 HG2 ARG 22 HG2 ARG 22 0.562 -9.174 -0.951
179 HG3 ARG 22 HG1 ARG 22 -0.809 -8.326 -0.226
180 HD2 ARG 22 HD2 ARG 22 -1.766 -8.010 -2.468
181 HD3 ARG 22 HD1 ARG 22 -0.419 -8.907 -3.159
182 HE ARG 22 HE ARG 22 -1.372 -10.695 -1.443
183 HH11 ARG 22 HH11 ARG 22 -3.074 -8.593 -3.674
184 HH12 ARG 22 HH12 ARG 22 -4.341 -9.741 -3.985
185 HH21 ARG 22 HH21 ARG 22 -3.055 -12.203 -1.837
186 HH22 ARG 22 HH22 ARG 22 -4.331 -11.791 -2.937
187 H HIS 23 HN HIS 23 0.130 -4.272 -0.402
188 HA HIS 23 HA HIS 23 2.085 -2.981 -1.981
189 HB2 HIS 23 HB2 HIS 23 -0.254 -2.378 -2.137
190 HB3 HIS 23 HB1 HIS 23 -0.282 -1.912 -0.439
191 HD1 HIS 23 HD1 HIS 23 0.676 -0.641 -3.831
192 HD2 HIS 23 HD2 HIS 23 0.951 0.506 0.166
193 HE1 HIS 23 HE1 HIS 23 1.410 1.799 -3.823
194 H LYS 24 HN LYS 24 1.276 -2.790 1.472
195 HA LYS 24 HA LYS 24 3.059 -0.763 2.201
196 HB2 LYS 24 HB2 LYS 24 2.102 -3.177 3.742
197 HB3 LYS 24 HB1 LYS 24 3.047 -1.882 4.464
198 HG2 LYS 24 HG2 LYS 24 1.301 -0.293 4.047
199 HG3 LYS 24 HG1 LYS 24 0.380 -1.483 3.126
200 HD2 LYS 24 HD2 LYS 24 -0.539 -1.228 5.367
201 HD3 LYS 24 HD1 LYS 24 0.121 -2.846 5.137
202 HE2 LYS 24 HE2 LYS 24 2.159 -2.172 6.325
203 HE3 LYS 24 HE1 LYS 24 1.480 -0.564 6.572
204 HZ1 LYS 24 HZ1 LYS 24 0.384 -3.111 7.636
205 HZ2 LYS 24 HZ2 LYS 24 -0.332 -1.590 7.828
206 HZ3 LYS 24 HZ3 LYS 24 1.172 -1.910 8.528
207 H ARG 25 HN ARG 25 3.523 -4.195 1.695
208 HA ARG 25 HA ARG 25 6.175 -4.306 2.689
209 HB2 ARG 25 HB2 ARG 25 4.702 -6.121 0.783
210 HB3 ARG 25 HB1 ARG 25 6.259 -6.494 1.512
211 HG2 ARG 25 HG2 ARG 25 5.239 -6.408 3.731
212 HG3 ARG 25 HG1 ARG 25 3.682 -6.027 2.997
213 HD2 ARG 25 HD2 ARG 25 3.781 -8.378 3.545
214 HD3 ARG 25 HD1 ARG 25 3.750 -8.168 1.795
215 HE ARG 25 HE ARG 25 6.420 -8.314 2.576
216 HH11 ARG 25 HH11 ARG 25 3.581 -10.359 2.518
217 HH12 ARG 25 HH12 ARG 25 4.488 -11.832 2.370
218 HH21 ARG 25 HH21 ARG 25 6.783 -11.773 2.303
219 HH22 ARG 25 HH22 ARG 25 7.621 -10.254 2.386
220 H THR 26 HN THR 26 4.844 -3.016 -0.142
221 HA THR 26 HA THR 26 7.145 -3.368 -1.821
222 HB THR 26 HB THR 26 4.888 -1.380 -2.150
223 HG1 THR 26 HG1 THR 26 4.710 -3.990 -2.131
224 HG21 THR 26 HG21 THR 26 6.793 -2.603 -4.150
225 HG22 THR 26 HG22 THR 26 6.849 -0.944 -3.556
226 HG23 THR 26 HG23 THR 26 5.479 -1.488 -4.524
227 H HIS 27 HN HIS 27 5.870 -0.816 0.286
228 HA HIS 27 HA HIS 27 7.827 1.127 -0.404
229 HB2 HIS 27 HB2 HIS 27 5.999 0.845 1.971
230 HB3 HIS 27 HB1 HIS 27 7.180 2.143 1.860
231 HD1 HIS 27 HD1 HIS 27 6.827 3.815 -0.291
232 HD2 HIS 27 HD2 HIS 27 3.666 1.301 0.742
233 HE1 HIS 27 HE1 HIS 27 4.740 4.774 -1.403
234 H THR 28 HN THR 28 7.589 -1.305 2.135
235 HA THR 28 HA THR 28 10.030 -0.580 3.400
236 HB THR 28 HB THR 28 9.797 -3.038 4.282
237 HG1 THR 28 HG1 THR 28 7.082 -2.783 3.790
238 HG21 THR 28 HG21 THR 28 8.146 -2.278 5.942
239 HG22 THR 28 HG22 THR 28 7.767 -0.892 4.918
240 HG23 THR 28 HG23 THR 28 9.372 -1.049 5.630
241 H GLY 29 HN GLY 29 9.257 -2.300 0.556
242 HA2 GLY 29 HA2 GLY 29 11.727 -3.762 0.359
243 HA3 GLY 29 HA1 GLY 29 10.568 -3.494 -0.937
244 H GLU 30 HN GLU 30 10.471 -0.719 -0.964
245 HA GLU 30 HA GLU 30 12.887 -0.060 -2.349
246 HB2 GLU 30 HB2 GLU 30 10.603 1.724 -1.469
247 HB3 GLU 30 HB1 GLU 30 11.880 2.188 -2.583
248 HG2 GLU 30 HG2 GLU 30 11.108 0.456 -4.151
249 HG3 GLU 30 HG1 GLU 30 9.803 0.056 -3.033
250 H LYS 31 HN LYS 31 11.395 0.958 0.691
251 HA LYS 31 HA LYS 31 13.919 2.258 1.463
252 HB2 LYS 31 HB2 LYS 31 11.154 2.672 2.621
253 HB3 LYS 31 HB1 LYS 31 12.599 3.597 3.007
254 HG2 LYS 31 HG2 LYS 31 12.673 4.463 0.737
255 HG3 LYS 31 HG1 LYS 31 11.253 3.506 0.314
256 HD2 LYS 31 HD2 LYS 31 9.954 4.734 2.009
257 HD3 LYS 31 HD1 LYS 31 11.372 5.725 2.354
258 HE2 LYS 31 HE2 LYS 31 9.890 5.547 -0.266
259 HE3 LYS 31 HE1 LYS 31 9.870 6.902 0.859
260 HZ1 LYS 31 HZ1 LYS 31 11.356 7.365 -0.949
261 HZ2 LYS 31 HZ2 LYS 31 12.208 5.930 -0.691
262 HZ3 LYS 31 HZ3 LYS 31 12.269 7.167 0.461
263 HN1 NH2 32 HN1 NH2 32 14.949 0.443 2.227
264 HN2 NH2 32 HN2 NH2 32 14.439 -0.418 3.637
Start of MODEL 4
1 H1 ARG 1 HT1 ARG 1 -13.841 4.334 -0.008
2 H2 ARG 1 HT2 ARG 1 -12.748 5.083 -1.056
3 H3 ARG 1 HT3 ARG 1 -12.647 5.351 0.613
4 HA ARG 1 HA ARG 1 -12.288 2.716 -0.659
5 HB2 ARG 1 HB2 ARG 1 -9.923 2.954 -0.476
6 HB3 ARG 1 HB1 ARG 1 -10.506 4.391 -1.297
7 HG2 ARG 1 HG2 ARG 1 -10.013 4.381 1.659
8 HG3 ARG 1 HG1 ARG 1 -8.708 4.647 0.505
9 HD2 ARG 1 HD2 ARG 1 -9.805 6.594 -0.373
10 HD3 ARG 1 HD1 ARG 1 -11.241 6.277 0.596
11 HE ARG 1 HE ARG 1 -9.233 6.500 2.428
12 HH11 ARG 1 HH11 ARG 1 -10.448 8.539 -0.142
13 HH12 ARG 1 HH12 ARG 1 -10.038 10.021 0.653
14 HH21 ARG 1 HH21 ARG 1 -8.687 8.451 3.492
15 HH22 ARG 1 HH22 ARG 1 -9.023 9.970 2.727
16 HA PRO 2 HA PRO 2 -12.594 1.441 3.623
17 HB2 PRO 2 HB2 PRO 2 -11.555 -1.146 2.821
18 HB3 PRO 2 HB1 PRO 2 -13.187 -0.726 3.351
19 HG2 PRO 2 HG2 PRO 2 -12.577 -1.467 0.802
20 HG3 PRO 2 HG1 PRO 2 -13.933 -0.406 1.218
21 HD2 PRO 2 HD2 PRO 2 -11.231 0.308 0.145
22 HD3 PRO 2 HD1 PRO 2 -12.822 0.987 -0.248
23 H PHE 3 HN PHE 3 -9.783 0.840 1.587
24 HA PHE 3 HA PHE 3 -8.059 1.199 3.938
25 HB2 PHE 3 HB2 PHE 3 -7.577 -0.843 1.749
26 HB3 PHE 3 HB1 PHE 3 -6.579 -0.576 3.172
27 HD1 PHE 3 HD1 PHE 3 -9.401 -2.298 1.821
28 HD2 PHE 3 HD2 PHE 3 -7.566 -1.039 5.443
29 HE1 PHE 3 HE1 PHE 3 -10.763 -3.920 3.069
30 HE2 PHE 3 HE2 PHE 3 -8.918 -2.662 6.699
31 HZ PHE 3 HZ PHE 3 -10.524 -4.106 5.511
32 H NLE 4 HN NLE 4 -6.126 2.280 3.535
33 HA NLE 4 HA NLE 4 -5.465 3.018 0.808
34 HB2 NLE 4 HB1 NLE 4 -5.950 5.143 2.900
35 HB3 NLE 4 HB2 NLE 4 -7.090 4.743 1.627
36 HG2 NLE 4 HG1 NLE 4 -5.449 5.405 -0.060
37 HG3 NLE 4 HG2 NLE 4 -4.300 5.803 1.215
38 HD2 NLE 4 HD1 NLE 4 -7.003 7.103 0.877
39 HD3 NLE 4 HD2 NLE 4 -5.472 7.789 0.317
40 HE1 NLE 4 HE1 NLE 4 -4.637 7.805 2.615
41 HE2 NLE 4 HE2 NLE 4 -6.162 7.118 3.178
42 HE3 NLE 4 HE3 NLE 4 -6.127 8.735 2.476
43 H CYS 5 HN CYS 5 -3.337 3.362 0.524
44 HA CYS 5 HA CYS 5 -1.521 2.878 2.688
45 HB2 CYS 5 HB2 CYS 5 -0.889 2.091 0.510
46 HB3 CYS 5 HB1 CYS 5 -1.109 3.689 -0.190
47 H THR 6 HN THR 6 -1.093 4.391 4.160
48 HA THR 6 HA THR 6 -1.556 7.177 3.546
49 HB THR 6 HB THR 6 -0.928 7.501 5.985
50 HG1 THR 6 HG1 THR 6 -0.501 5.763 7.203
51 HG21 THR 6 HG21 THR 6 -3.041 6.548 6.812
52 HG22 THR 6 HG22 THR 6 -3.185 5.604 5.328
53 HG23 THR 6 HG23 THR 6 -3.251 7.365 5.262
54 H TRP 7 HN TRP 7 0.880 5.441 2.617
55 HA TRP 7 HA TRP 7 3.153 6.726 3.730
56 HB2 TRP 7 HB2 TRP 7 3.055 4.526 2.371
57 HB3 TRP 7 HB1 TRP 7 3.074 5.569 0.955
58 HD1 TRP 7 HD1 TRP 7 5.319 7.159 0.681
59 HE1 TRP 7 HE1 TRP 7 7.756 6.670 1.363
60 HE3 TRP 7 HE3 TRP 7 4.478 3.376 4.009
61 HZ2 TRP 7 HZ2 TRP 7 9.132 4.895 3.079
62 HZ3 TRP 7 HZ3 TRP 7 6.408 2.332 5.122
63 HH2 TRP 7 HH2 TRP 7 8.682 3.074 4.666
64 H SER 8 HN SER 8 4.153 8.558 3.168
65 HA SER 8 HA SER 8 2.717 10.616 1.974
66 HB2 SER 8 HB2 SER 8 5.710 10.443 2.352
67 HB3 SER 8 HB1 SER 8 4.756 11.917 2.197
68 HG SER 8 HG SER 8 5.382 10.869 4.413
69 H TYR 9 HN TYR 9 2.653 11.494 -0.006
70 HA TYR 9 HA TYR 9 2.912 11.814 -2.234
71 HB2 TYR 9 HB2 TYR 9 5.500 10.294 -1.882
72 HB3 TYR 9 HB1 TYR 9 5.021 11.147 -3.344
73 HD1 TYR 9 HD1 TYR 9 6.731 11.397 -0.253
74 HD2 TYR 9 HD2 TYR 9 4.523 13.680 -3.081
75 HE1 TYR 9 HE1 TYR 9 7.744 13.454 0.625
76 HE2 TYR 9 HE2 TYR 9 5.530 15.744 -2.210
77 HH TYR 9 HH TYR 9 8.220 15.740 -0.145
78 H CYS 10 HN CYS 10 2.310 8.913 -0.852
79 HA CYS 10 HA CYS 10 2.096 7.530 -3.427
80 HB2 CYS 10 HB2 CYS 10 3.332 6.404 -1.567
81 HB3 CYS 10 HB1 CYS 10 1.824 6.354 -0.664
82 H GLY 11 HN GLY 11 0.170 7.280 -0.429
83 HA2 GLY 11 HA2 GLY 11 -2.100 7.263 -0.092
84 HA3 GLY 11 HA1 GLY 11 -2.128 8.563 -1.272
85 H LYS 12 HN LYS 12 -1.434 5.079 -1.578
86 HA LYS 12 HA LYS 12 -3.211 4.984 -3.876
87 HB2 LYS 12 HB2 LYS 12 -0.875 3.932 -3.780
88 HB3 LYS 12 HB1 LYS 12 -1.596 2.698 -2.756
89 HG2 LYS 12 HG2 LYS 12 -2.920 1.870 -4.483
90 HG3 LYS 12 HG1 LYS 12 -2.721 3.329 -5.460
91 HD2 LYS 12 HD2 LYS 12 -0.301 2.776 -5.668
92 HD3 LYS 12 HD1 LYS 12 -0.622 1.254 -4.839
93 HE2 LYS 12 HE2 LYS 12 -2.004 2.094 -7.378
94 HE3 LYS 12 HE1 LYS 12 -0.533 1.126 -7.350
95 HZ1 LYS 12 HZ1 LYS 12 -3.112 0.364 -6.092
96 HZ2 LYS 12 HZ2 LYS 12 -1.704 -0.570 -6.108
97 HZ3 LYS 12 HZ3 LYS 12 -2.516 -0.243 -7.550
98 H ARG 13 HN ARG 13 -5.159 3.972 -3.906
99 HA ARG 13 HA ARG 13 -6.256 3.290 -1.278
100 HB2 ARG 13 HB2 ARG 13 -7.641 3.807 -3.916
101 HB3 ARG 13 HB1 ARG 13 -8.443 3.552 -2.375
102 HG2 ARG 13 HG2 ARG 13 -7.540 5.591 -1.497
103 HG3 ARG 13 HG1 ARG 13 -6.543 5.816 -2.936
104 HD2 ARG 13 HD2 ARG 13 -9.558 5.771 -2.884
105 HD3 ARG 13 HD1 ARG 13 -8.561 7.221 -2.977
106 HE ARG 13 HE ARG 13 -7.685 6.120 -5.120
107 HH11 ARG 13 HH11 ARG 13 -10.970 5.800 -3.937
108 HH12 ARG 13 HH12 ARG 13 -11.648 5.575 -5.516
109 HH21 ARG 13 HH21 ARG 13 -8.584 5.831 -7.198
110 HH22 ARG 13 HH22 ARG 13 -10.295 5.595 -7.367
111 H PHE 14 HN PHE 14 -7.333 1.384 -0.827
112 HA PHE 14 HA PHE 14 -7.427 -0.693 -2.890
113 HB2 PHE 14 HB2 PHE 14 -6.259 -1.136 -0.129
114 HB3 PHE 14 HB1 PHE 14 -6.463 -2.358 -1.382
115 HD1 PHE 14 HD1 PHE 14 -4.391 0.289 -0.109
116 HD2 PHE 14 HD2 PHE 14 -5.132 -2.211 -3.462
117 HE1 PHE 14 HE1 PHE 14 -2.147 0.798 -0.976
118 HE2 PHE 14 HE2 PHE 14 -2.890 -1.703 -4.338
119 HZ PHE 14 HZ PHE 14 -1.419 -0.148 -3.111
120 H THR 15 HN THR 15 -9.037 -2.224 -2.569
121 HA THR 15 HA THR 15 -11.077 -1.456 -0.627
122 HB THR 15 HB THR 15 -11.360 -3.434 -2.892
123 HG1 THR 15 HG1 THR 15 -11.824 -1.772 -4.204
124 HG21 THR 15 HG21 THR 15 -13.409 -1.805 -1.379
125 HG22 THR 15 HG22 THR 15 -13.104 -3.527 -1.154
126 HG23 THR 15 HG23 THR 15 -13.744 -2.938 -2.687
127 H ARG 16 HN ARG 16 -8.590 -3.670 -0.981
128 HA ARG 16 HA ARG 16 -9.753 -5.330 1.140
129 HB2 ARG 16 HB2 ARG 16 -8.450 -7.282 0.122
130 HB3 ARG 16 HB1 ARG 16 -9.920 -6.781 -0.703
131 HG2 ARG 16 HG2 ARG 16 -8.599 -5.559 -2.335
132 HG3 ARG 16 HG1 ARG 16 -7.123 -6.021 -1.496
133 HD2 ARG 16 HD2 ARG 16 -9.082 -7.976 -2.688
134 HD3 ARG 16 HD1 ARG 16 -7.646 -7.389 -3.518
135 HE ARG 16 HE ARG 16 -6.532 -8.368 -1.337
136 HH11 ARG 16 HH11 ARG 16 -9.107 -9.714 -3.274
137 HH12 ARG 16 HH12 ARG 16 -8.656 -11.359 -2.971
138 HH21 ARG 16 HH21 ARG 16 -5.897 -10.548 -0.956
139 HH22 ARG 16 HH22 ARG 16 -6.838 -11.834 -1.657
140 H SER 17 HN SER 17 -8.457 -5.813 2.802
141 HA SER 17 HA SER 17 -6.324 -4.002 3.242
142 HB2 SER 17 HB2 SER 17 -7.932 -4.854 4.979
143 HB3 SER 17 HB1 SER 17 -7.065 -6.389 4.939
144 HG SER 17 HG SER 17 -6.425 -4.070 6.190
145 H ASP 18 HN ASP 18 -6.478 -7.356 2.324
146 HA ASP 18 HA ASP 18 -3.806 -8.074 2.843
147 HB2 ASP 18 HB2 ASP 18 -5.306 -9.842 2.443
148 HB3 ASP 18 HB1 ASP 18 -5.902 -9.120 0.958
149 H GLU 19 HN GLU 19 -5.337 -6.466 0.133
150 HA GLU 19 HA GLU 19 -3.058 -6.584 -1.586
151 HB2 GLU 19 HB2 GLU 19 -5.441 -6.245 -2.342
152 HB3 GLU 19 HB1 GLU 19 -5.343 -4.614 -1.698
153 HG2 GLU 19 HG2 GLU 19 -4.978 -4.495 -4.029
154 HG3 GLU 19 HG1 GLU 19 -3.435 -4.200 -3.231
155 H LEU 20 HN LEU 20 -4.394 -4.252 0.702
156 HA LEU 20 HA LEU 20 -2.486 -2.224 0.300
157 HB2 LEU 20 HB2 LEU 20 -4.479 -1.696 1.500
158 HB3 LEU 20 HB1 LEU 20 -4.166 -2.944 2.690
159 HG LEU 20 HG LEU 20 -2.218 -1.677 3.505
160 HD11 LEU 20 HD11 LEU 20 -1.675 -0.537 1.398
161 HD12 LEU 20 HD12 LEU 20 -1.810 0.584 2.750
162 HD13 LEU 20 HD13 LEU 20 -3.119 0.456 1.580
163 HD21 LEU 20 HD21 LEU 20 -4.463 -1.356 4.492
164 HD22 LEU 20 HD22 LEU 20 -4.708 0.011 3.404
165 HD23 LEU 20 HD23 LEU 20 -3.435 0.071 4.621
166 H GLN 21 HN GLN 21 -2.579 -4.915 2.642
167 HA GLN 21 HA GLN 21 -0.166 -4.404 3.939
168 HB2 GLN 21 HB2 GLN 21 -1.553 -7.009 3.307
169 HB3 GLN 21 HB1 GLN 21 -0.090 -6.928 4.275
170 HG2 GLN 21 HG2 GLN 21 -1.235 -5.546 5.917
171 HG3 GLN 21 HG1 GLN 21 -2.703 -5.595 4.939
172 HE21 GLN 21 HE21 GLN 21 -2.163 -6.536 7.670
173 HE22 GLN 21 HE22 GLN 21 -2.610 -8.205 7.684
174 H ARG 22 HN ARG 22 -0.780 -6.456 1.126
175 HA ARG 22 HA ARG 22 1.823 -7.208 0.526
176 HB2 ARG 22 HB2 ARG 22 -0.087 -8.200 -0.563
177 HB3 ARG 22 HB1 ARG 22 -0.542 -6.660 -1.270
178 HG2 ARG 22 HG2 ARG 22 1.570 -6.700 -2.570
179 HG3 ARG 22 HG1 ARG 22 1.864 -8.324 -1.944
180 HD2 ARG 22 HD2 ARG 22 -0.145 -9.144 -2.966
181 HD3 ARG 22 HD1 ARG 22 -0.611 -7.518 -3.454
182 HE ARG 22 HE ARG 22 1.871 -8.664 -4.502
183 HH11 ARG 22 HH11 ARG 22 -1.393 -7.500 -5.015
184 HH12 ARG 22 HH12 ARG 22 -1.260 -7.538 -6.746
185 HH21 ARG 22 HH21 ARG 22 2.049 -8.693 -6.773
186 HH22 ARG 22 HH22 ARG 22 0.695 -8.220 -7.746
187 H HIS 23 HN HIS 23 -0.006 -4.373 -0.521
188 HA HIS 23 HA HIS 23 1.984 -3.245 -2.146
189 HB2 HIS 23 HB2 HIS 23 -0.250 -2.450 -2.393
190 HB3 HIS 23 HB1 HIS 23 -0.368 -2.041 -0.684
191 HD1 HIS 23 HD1 HIS 23 0.831 -0.673 -3.965
192 HD2 HIS 23 HD2 HIS 23 0.956 0.291 0.092
193 HE1 HIS 23 HE1 HIS 23 1.702 1.718 -3.805
194 H LYS 24 HN LYS 24 1.242 -2.757 1.298
195 HA LYS 24 HA LYS 24 3.053 -0.695 1.804
196 HB2 LYS 24 HB2 LYS 24 2.140 -2.937 3.606
197 HB3 LYS 24 HB1 LYS 24 3.060 -1.546 4.162
198 HG2 LYS 24 HG2 LYS 24 1.259 -0.058 3.530
199 HG3 LYS 24 HG1 LYS 24 0.347 -1.411 2.858
200 HD2 LYS 24 HD2 LYS 24 -0.524 -0.875 5.038
201 HD3 LYS 24 HD1 LYS 24 0.294 -2.437 5.110
202 HE2 LYS 24 HE2 LYS 24 0.872 -1.139 7.060
203 HE3 LYS 24 HE1 LYS 24 2.292 -1.307 6.029
204 HZ1 LYS 24 HZ1 LYS 24 1.853 0.923 5.165
205 HZ2 LYS 24 HZ2 LYS 24 2.097 0.938 6.837
206 HZ3 LYS 24 HZ3 LYS 24 0.533 1.077 6.211
207 H ARG 25 HN ARG 25 3.534 -4.124 1.454
208 HA ARG 25 HA ARG 25 6.153 -4.178 2.552
209 HB2 ARG 25 HB2 ARG 25 4.754 -6.119 0.715
210 HB3 ARG 25 HB1 ARG 25 6.275 -6.435 1.545
211 HG2 ARG 25 HG2 ARG 25 5.095 -6.073 3.705
212 HG3 ARG 25 HG1 ARG 25 3.585 -5.949 2.803
213 HD2 ARG 25 HD2 ARG 25 3.798 -8.186 3.646
214 HD3 ARG 25 HD1 ARG 25 4.004 -8.215 1.897
215 HE ARG 25 HE ARG 25 6.516 -7.971 3.147
216 HH11 ARG 25 HH11 ARG 25 3.959 -10.304 2.632
217 HH12 ARG 25 HH12 ARG 25 5.013 -11.679 2.718
218 HH21 ARG 25 HH21 ARG 25 7.276 -11.367 3.078
219 HH22 ARG 25 HH22 ARG 25 7.913 -9.766 3.276
220 H THR 26 HN THR 26 4.984 -2.902 -0.327
221 HA THR 26 HA THR 26 7.361 -3.387 -1.884
222 HB THR 26 HB THR 26 4.911 -2.821 -2.737
223 HG1 THR 26 HG1 THR 26 7.007 -3.156 -3.935
224 HG21 THR 26 HG21 THR 26 6.181 -0.084 -2.554
225 HG22 THR 26 HG22 THR 26 4.711 -0.618 -1.735
226 HG23 THR 26 HG23 THR 26 4.739 -0.476 -3.493
227 H HIS 27 HN HIS 27 6.182 -0.983 0.364
228 HA HIS 27 HA HIS 27 8.292 0.900 -0.234
229 HB2 HIS 27 HB2 HIS 27 6.332 0.781 2.064
230 HB3 HIS 27 HB1 HIS 27 7.503 2.069 1.830
231 HD1 HIS 27 HD1 HIS 27 7.091 3.584 -0.433
232 HD2 HIS 27 HD2 HIS 27 3.970 1.141 0.872
233 HE1 HIS 27 HE1 HIS 27 4.958 4.484 -1.508
234 H THR 28 HN THR 28 7.539 -1.524 2.199
235 HA THR 28 HA THR 28 10.003 -1.090 3.639
236 HB THR 28 HB THR 28 9.260 -3.140 4.925
237 HG1 THR 28 HG1 THR 28 7.827 -4.267 3.819
238 HG21 THR 28 HG21 THR 28 7.329 -0.819 4.739
239 HG22 THR 28 HG22 THR 28 8.767 -0.903 5.755
240 HG23 THR 28 HG23 THR 28 7.404 -1.977 6.067
241 H GLY 29 HN GLY 29 9.755 -2.100 0.734
242 HA2 GLY 29 HA2 GLY 29 11.444 -4.506 1.042
243 HA3 GLY 29 HA1 GLY 29 10.441 -4.172 -0.365
244 H GLU 30 HN GLU 30 12.039 -1.485 0.974
245 HA GLU 30 HA GLU 30 13.742 -0.158 0.337
246 HB2 GLU 30 HB2 GLU 30 14.913 -2.788 -0.543
247 HB3 GLU 30 HB1 GLU 30 15.801 -1.270 -0.584
248 HG2 GLU 30 HG2 GLU 30 14.594 -2.503 1.882
249 HG3 GLU 30 HG1 GLU 30 16.291 -2.609 1.413
250 H LYS 31 HN LYS 31 12.835 1.147 -1.117
251 HA LYS 31 HA LYS 31 12.589 0.287 -3.898
252 HB2 LYS 31 HB2 LYS 31 11.639 2.787 -2.486
253 HB3 LYS 31 HB1 LYS 31 11.352 2.429 -4.182
254 HG2 LYS 31 HG2 LYS 31 10.000 0.536 -3.616
255 HG3 LYS 31 HG1 LYS 31 10.412 0.695 -1.910
256 HD2 LYS 31 HD2 LYS 31 8.182 1.572 -2.356
257 HD3 LYS 31 HD1 LYS 31 9.270 2.858 -1.833
258 HE2 LYS 31 HE2 LYS 31 7.874 3.599 -3.689
259 HE3 LYS 31 HE1 LYS 31 9.571 3.552 -4.156
260 HZ1 LYS 31 HZ1 LYS 31 8.118 2.632 -5.865
261 HZ2 LYS 31 HZ2 LYS 31 7.573 1.448 -4.789
262 HZ3 LYS 31 HZ3 LYS 31 9.188 1.465 -5.277
263 HN1 NH2 32 HN1 NH2 32 14.828 0.265 -4.342
264 HN2 NH2 32 HN2 NH2 32 15.717 1.727 -4.593
Start of MODEL 5
1 H1 ARG 1 HT1 ARG 1 -12.879 5.058 -1.241
2 H2 ARG 1 HT2 ARG 1 -13.412 5.059 0.364
3 H3 ARG 1 HT3 ARG 1 -13.496 3.644 -0.553
4 HA ARG 1 HA ARG 1 -11.099 3.551 -0.697
5 HB2 ARG 1 HB2 ARG 1 -11.194 5.915 1.186
6 HB3 ARG 1 HB1 ARG 1 -9.745 5.069 0.664
7 HG2 ARG 1 HG2 ARG 1 -10.186 5.782 -1.646
8 HG3 ARG 1 HG1 ARG 1 -11.597 6.677 -1.078
9 HD2 ARG 1 HD2 ARG 1 -8.740 7.149 -0.229
10 HD3 ARG 1 HD1 ARG 1 -9.662 8.149 -1.348
11 HE ARG 1 HE ARG 1 -11.125 8.031 1.002
12 HH11 ARG 1 HH11 ARG 1 -7.992 9.219 -0.019
13 HH12 ARG 1 HH12 ARG 1 -7.930 10.462 1.188
14 HH21 ARG 1 HH21 ARG 1 -11.044 9.657 2.582
15 HH22 ARG 1 HH22 ARG 1 -9.673 10.717 2.665
16 HA PRO 2 HA PRO 2 -12.744 1.353 3.055
17 HB2 PRO 2 HB2 PRO 2 -11.561 -0.931 1.590
18 HB3 PRO 2 HB1 PRO 2 -13.159 -0.779 2.331
19 HG2 PRO 2 HG2 PRO 2 -12.872 -0.739 -0.321
20 HG3 PRO 2 HG1 PRO 2 -14.055 0.304 0.488
21 HD2 PRO 2 HD2 PRO 2 -11.345 1.003 -0.588
22 HD3 PRO 2 HD1 PRO 2 -12.868 1.910 -0.699
23 H PHE 3 HN PHE 3 -9.734 0.951 1.249
24 HA PHE 3 HA PHE 3 -8.253 1.167 3.770
25 HB2 PHE 3 HB2 PHE 3 -7.621 -0.822 1.569
26 HB3 PHE 3 HB1 PHE 3 -6.650 -0.545 3.007
27 HD1 PHE 3 HD1 PHE 3 -9.541 -2.201 1.625
28 HD2 PHE 3 HD2 PHE 3 -7.543 -1.161 5.233
29 HE1 PHE 3 HE1 PHE 3 -10.879 -3.869 2.839
30 HE2 PHE 3 HE2 PHE 3 -8.874 -2.829 6.456
31 HZ PHE 3 HZ PHE 3 -10.547 -4.188 5.259
32 H NLE 4 HN NLE 4 -6.139 2.113 3.499
33 HA NLE 4 HA NLE 4 -5.478 3.135 0.862
34 HB2 NLE 4 HB1 NLE 4 -5.808 5.076 3.144
35 HB3 NLE 4 HB2 NLE 4 -7.093 4.759 1.990
36 HG2 NLE 4 HG1 NLE 4 -5.736 5.572 0.178
37 HG3 NLE 4 HG2 NLE 4 -4.352 5.764 1.254
38 HD2 NLE 4 HD1 NLE 4 -6.966 7.228 1.595
39 HD3 NLE 4 HD2 NLE 4 -5.558 7.891 0.756
40 HE1 NLE 4 HE1 NLE 4 -5.633 6.994 3.636
41 HE2 NLE 4 HE2 NLE 4 -5.647 8.665 3.071
42 HE3 NLE 4 HE3 NLE 4 -4.229 7.654 2.796
43 H CYS 5 HN CYS 5 -3.360 3.559 0.607
44 HA CYS 5 HA CYS 5 -1.509 2.778 2.661
45 HB2 CYS 5 HB2 CYS 5 -0.920 2.208 0.415
46 HB3 CYS 5 HB1 CYS 5 -1.183 3.857 -0.140
47 H THR 6 HN THR 6 -0.737 4.096 4.191
48 HA THR 6 HA THR 6 -1.229 6.949 3.947
49 HB THR 6 HB THR 6 -0.408 6.961 6.361
50 HG1 THR 6 HG1 THR 6 0.493 5.146 6.957
51 HG21 THR 6 HG21 THR 6 -2.515 6.009 7.216
52 HG22 THR 6 HG22 THR 6 -2.811 5.276 5.639
53 HG23 THR 6 HG23 THR 6 -2.778 7.032 5.804
54 H TRP 7 HN TRP 7 0.979 5.499 2.467
55 HA TRP 7 HA TRP 7 3.362 6.695 3.587
56 HB2 TRP 7 HB2 TRP 7 3.238 4.500 2.226
57 HB3 TRP 7 HB1 TRP 7 3.144 5.548 0.815
58 HD1 TRP 7 HD1 TRP 7 5.338 7.020 0.236
59 HE1 TRP 7 HE1 TRP 7 7.817 6.668 0.843
60 HE3 TRP 7 HE3 TRP 7 4.763 3.647 4.025
61 HZ2 TRP 7 HZ2 TRP 7 9.325 5.147 2.690
62 HZ3 TRP 7 HZ3 TRP 7 6.772 2.791 5.160
63 HH2 TRP 7 HH2 TRP 7 9.001 3.524 4.504
64 H SER 8 HN SER 8 4.248 8.571 3.017
65 HA SER 8 HA SER 8 2.657 10.573 1.885
66 HB2 SER 8 HB2 SER 8 4.525 10.908 3.531
67 HB3 SER 8 HB1 SER 8 5.664 10.632 2.214
68 HG SER 8 HG SER 8 3.644 12.609 2.066
69 H TYR 9 HN TYR 9 2.532 11.460 -0.078
70 HA TYR 9 HA TYR 9 2.662 11.733 -2.311
71 HB2 TYR 9 HB2 TYR 9 5.453 10.647 -1.939
72 HB3 TYR 9 HB1 TYR 9 4.840 11.305 -3.453
73 HD1 TYR 9 HD1 TYR 9 6.395 12.054 -0.343
74 HD2 TYR 9 HD2 TYR 9 3.979 13.735 -3.413
75 HE1 TYR 9 HE1 TYR 9 7.049 14.306 0.386
76 HE2 TYR 9 HE2 TYR 9 4.627 15.991 -2.694
77 HH TYR 9 HH TYR 9 5.474 17.126 -0.729
78 H CYS 10 HN CYS 10 2.046 9.038 -0.938
79 HA CYS 10 HA CYS 10 1.854 7.592 -3.490
80 HB2 CYS 10 HB2 CYS 10 3.312 6.479 -1.775
81 HB3 CYS 10 HB1 CYS 10 1.904 6.356 -0.731
82 H GLY 11 HN GLY 11 0.274 7.273 -0.298
83 HA2 GLY 11 HA2 GLY 11 -1.949 7.108 0.265
84 HA3 GLY 11 HA1 GLY 11 -2.145 8.464 -0.831
85 H LYS 12 HN LYS 12 -1.196 5.163 -1.699
86 HA LYS 12 HA LYS 12 -3.115 5.094 -3.792
87 HB2 LYS 12 HB2 LYS 12 -0.903 3.933 -3.851
88 HB3 LYS 12 HB1 LYS 12 -1.517 2.791 -2.664
89 HG2 LYS 12 HG2 LYS 12 -3.091 1.911 -4.175
90 HG3 LYS 12 HG1 LYS 12 -2.847 3.236 -5.314
91 HD2 LYS 12 HD2 LYS 12 -0.570 2.469 -5.736
92 HD3 LYS 12 HD1 LYS 12 -0.786 1.162 -4.573
93 HE2 LYS 12 HE2 LYS 12 -2.581 0.230 -5.950
94 HE3 LYS 12 HE1 LYS 12 -2.376 1.539 -7.110
95 HZ1 LYS 12 HZ1 LYS 12 -0.288 -0.452 -6.414
96 HZ2 LYS 12 HZ2 LYS 12 -0.164 0.756 -7.585
97 HZ3 LYS 12 HZ3 LYS 12 -1.261 -0.509 -7.793
98 H ARG 13 HN ARG 13 -5.017 3.944 -3.961
99 HA ARG 13 HA ARG 13 -6.296 3.450 -1.369
100 HB2 ARG 13 HB2 ARG 13 -7.578 3.833 -4.080
101 HB3 ARG 13 HB1 ARG 13 -8.387 3.850 -2.520
102 HG2 ARG 13 HG2 ARG 13 -7.450 5.915 -1.931
103 HG3 ARG 13 HG1 ARG 13 -6.247 5.832 -3.220
104 HD2 ARG 13 HD2 ARG 13 -8.099 5.951 -4.872
105 HD3 ARG 13 HD1 ARG 13 -9.225 6.182 -3.535
106 HE ARG 13 HE ARG 13 -7.764 8.217 -3.026
107 HH11 ARG 13 HH11 ARG 13 -8.290 6.973 -6.258
108 HH12 ARG 13 HH12 ARG 13 -8.109 8.520 -7.016
109 HH21 ARG 13 HH21 ARG 13 -7.528 10.258 -4.030
110 HH22 ARG 13 HH22 ARG 13 -7.671 10.386 -5.753
111 H PHE 14 HN PHE 14 -7.416 1.562 -0.913
112 HA PHE 14 HA PHE 14 -7.422 -0.566 -2.930
113 HB2 PHE 14 HB2 PHE 14 -6.402 -0.948 -0.101
114 HB3 PHE 14 HB1 PHE 14 -6.538 -2.193 -1.337
115 HD1 PHE 14 HD1 PHE 14 -4.534 0.437 0.028
116 HD2 PHE 14 HD2 PHE 14 -5.105 -2.052 -3.365
117 HE1 PHE 14 HE1 PHE 14 -2.247 0.933 -0.713
118 HE2 PHE 14 HE2 PHE 14 -2.815 -1.562 -4.112
119 HZ PHE 14 HZ PHE 14 -1.408 -0.032 -2.817
120 H THR 15 HN THR 15 -8.919 -2.267 -2.473
121 HA THR 15 HA THR 15 -10.983 -1.524 -0.515
122 HB THR 15 HB THR 15 -11.812 -1.533 -2.823
123 HG1 THR 15 HG1 THR 15 -12.757 -3.278 -0.868
124 HG21 THR 15 HG21 THR 15 -11.947 -3.617 -4.101
125 HG22 THR 15 HG22 THR 15 -11.040 -4.451 -2.839
126 HG23 THR 15 HG23 THR 15 -10.272 -3.172 -3.778
127 H ARG 16 HN ARG 16 -8.435 -3.529 -0.941
128 HA ARG 16 HA ARG 16 -9.572 -5.510 0.914
129 HB2 ARG 16 HB2 ARG 16 -7.601 -6.032 -1.322
130 HB3 ARG 16 HB1 ARG 16 -8.053 -7.206 -0.095
131 HG2 ARG 16 HG2 ARG 16 -10.389 -7.064 -0.881
132 HG3 ARG 16 HG1 ARG 16 -9.853 -5.982 -2.167
133 HD2 ARG 16 HD2 ARG 16 -8.914 -8.819 -1.744
134 HD3 ARG 16 HD1 ARG 16 -10.082 -8.293 -2.954
135 HE ARG 16 HE ARG 16 -7.773 -6.796 -3.339
136 HH11 ARG 16 HH11 ARG 16 -8.765 -10.144 -3.521
137 HH12 ARG 16 HH12 ARG 16 -7.599 -10.556 -4.738
138 HH21 ARG 16 HH21 ARG 16 -6.218 -7.341 -4.942
139 HH22 ARG 16 HH22 ARG 16 -6.161 -8.973 -5.538
140 H SER 17 HN SER 17 -8.420 -5.918 2.693
141 HA SER 17 HA SER 17 -6.384 -4.091 3.447
142 HB2 SER 17 HB2 SER 17 -6.308 -5.589 5.520
143 HB3 SER 17 HB1 SER 17 -7.857 -4.829 5.153
144 HG SER 17 HG SER 17 -7.585 -7.296 5.592
145 H ASP 18 HN ASP 18 -6.413 -7.465 2.444
146 HA ASP 18 HA ASP 18 -3.691 -8.012 2.986
147 HB2 ASP 18 HB2 ASP 18 -5.242 -9.830 2.595
148 HB3 ASP 18 HB1 ASP 18 -5.586 -9.239 0.976
149 H GLU 19 HN GLU 19 -5.383 -6.625 0.265
150 HA GLU 19 HA GLU 19 -3.252 -6.540 -1.569
151 HB2 GLU 19 HB2 GLU 19 -5.697 -6.109 -2.057
152 HB3 GLU 19 HB1 GLU 19 -5.488 -4.523 -1.329
153 HG2 GLU 19 HG2 GLU 19 -5.300 -4.161 -3.612
154 HG3 GLU 19 HG1 GLU 19 -3.639 -4.164 -3.023
155 H LEU 20 HN LEU 20 -4.458 -4.199 0.797
156 HA LEU 20 HA LEU 20 -2.520 -2.221 0.393
157 HB2 LEU 20 HB2 LEU 20 -4.483 -1.688 1.628
158 HB3 LEU 20 HB1 LEU 20 -4.174 -2.959 2.794
159 HG LEU 20 HG LEU 20 -2.200 -1.718 3.607
160 HD11 LEU 20 HD11 LEU 20 -1.686 -0.521 1.526
161 HD12 LEU 20 HD12 LEU 20 -1.814 0.566 2.908
162 HD13 LEU 20 HD13 LEU 20 -3.136 0.460 1.747
163 HD21 LEU 20 HD21 LEU 20 -4.366 -1.434 4.692
164 HD22 LEU 20 HD22 LEU 20 -4.749 -0.115 3.587
165 HD23 LEU 20 HD23 LEU 20 -3.425 0.056 4.737
166 H GLN 21 HN GLN 21 -2.548 -5.007 2.607
167 HA GLN 21 HA GLN 21 -0.133 -4.456 3.914
168 HB2 GLN 21 HB2 GLN 21 -1.473 -7.086 3.293
169 HB3 GLN 21 HB1 GLN 21 -0.032 -6.956 4.290
170 HG2 GLN 21 HG2 GLN 21 -1.250 -5.555 5.871
171 HG3 GLN 21 HG1 GLN 21 -2.697 -5.684 4.870
172 HE21 GLN 21 HE21 GLN 21 -2.244 -6.500 7.632
173 HE22 GLN 21 HE22 GLN 21 -2.615 -8.188 7.694
174 H ARG 22 HN ARG 22 -0.736 -6.465 1.045
175 HA ARG 22 HA ARG 22 1.910 -7.154 0.493
176 HB2 ARG 22 HB2 ARG 22 0.114 -8.230 -0.689
177 HB3 ARG 22 HB1 ARG 22 -0.434 -6.700 -1.360
178 HG2 ARG 22 HG2 ARG 22 1.612 -6.531 -2.671
179 HG3 ARG 22 HG1 ARG 22 2.184 -8.053 -1.987
180 HD2 ARG 22 HD2 ARG 22 0.306 -9.229 -2.987
181 HD3 ARG 22 HD1 ARG 22 -0.326 -7.713 -3.625
182 HE ARG 22 HE ARG 22 2.202 -7.872 -4.640
183 HH11 ARG 22 HH11 ARG 22 -0.602 -9.964 -4.703
184 HH12 ARG 22 HH12 ARG 22 -0.217 -10.651 -6.248
185 HH21 ARG 22 HH21 ARG 22 2.721 -8.771 -6.671
186 HH22 ARG 22 HH22 ARG 22 1.685 -9.976 -7.368
187 H HIS 23 HN HIS 23 -0.005 -4.387 -0.579
188 HA HIS 23 HA HIS 23 1.944 -3.175 -2.169
189 HB2 HIS 23 HB2 HIS 23 -0.320 -2.435 -2.352
190 HB3 HIS 23 HB1 HIS 23 -0.387 -2.015 -0.642
191 HD1 HIS 23 HD1 HIS 23 0.752 -0.680 -3.966
192 HD2 HIS 23 HD2 HIS 23 0.890 0.345 0.075
193 HE1 HIS 23 HE1 HIS 23 1.638 1.710 -3.846
194 H LYS 24 HN LYS 24 1.265 -2.790 1.304
195 HA LYS 24 HA LYS 24 3.126 -0.752 1.793
196 HB2 LYS 24 HB2 LYS 24 2.157 -2.959 3.604
197 HB3 LYS 24 HB1 LYS 24 3.155 -1.619 4.149
198 HG2 LYS 24 HG2 LYS 24 1.342 -0.085 3.286
199 HG3 LYS 24 HG1 LYS 24 0.342 -1.526 3.100
200 HD2 LYS 24 HD2 LYS 24 1.606 -0.585 5.673
201 HD3 LYS 24 HD1 LYS 24 -0.085 -0.368 5.221
202 HE2 LYS 24 HE2 LYS 24 -0.395 -2.788 5.168
203 HE3 LYS 24 HE1 LYS 24 1.305 -3.027 5.571
204 HZ1 LYS 24 HZ1 LYS 24 -0.091 -3.246 7.523
205 HZ2 LYS 24 HZ2 LYS 24 -0.713 -1.693 7.291
206 HZ3 LYS 24 HZ3 LYS 24 0.917 -1.897 7.680
207 H ARG 25 HN ARG 25 3.496 -4.220 1.492
208 HA ARG 25 HA ARG 25 6.159 -4.340 2.469
209 HB2 ARG 25 HB2 ARG 25 4.603 -6.207 0.681
210 HB3 ARG 25 HB1 ARG 25 6.203 -6.567 1.323
211 HG2 ARG 25 HG2 ARG 25 5.360 -6.458 3.583
212 HG3 ARG 25 HG1 ARG 25 3.767 -5.986 2.990
213 HD2 ARG 25 HD2 ARG 25 3.768 -8.333 3.547
214 HD3 ARG 25 HD1 ARG 25 3.600 -8.136 1.806
215 HE ARG 25 HE ARG 25 6.248 -8.479 2.078
216 HH11 ARG 25 HH11 ARG 25 3.516 -10.247 3.359
217 HH12 ARG 25 HH12 ARG 25 4.353 -11.766 3.398
218 HH21 ARG 25 HH21 ARG 25 6.526 -11.908 2.690
219 HH22 ARG 25 HH22 ARG 25 7.349 -10.493 2.109
220 H THR 26 HN THR 26 4.916 -2.957 -0.296
221 HA THR 26 HA THR 26 7.219 -3.336 -1.978
222 HB THR 26 HB THR 26 5.010 -1.269 -2.146
223 HG1 THR 26 HG1 THR 26 5.002 -3.901 -2.617
224 HG21 THR 26 HG21 THR 26 7.005 -0.599 -3.397
225 HG22 THR 26 HG22 THR 26 5.687 -1.031 -4.489
226 HG23 THR 26 HG23 THR 26 7.017 -2.158 -4.222
227 H HIS 27 HN HIS 27 6.076 -0.953 0.365
228 HA HIS 27 HA HIS 27 8.270 0.858 -0.165
229 HB2 HIS 27 HB2 HIS 27 6.231 0.856 2.072
230 HB3 HIS 27 HB1 HIS 27 7.416 2.121 1.795
231 HD1 HIS 27 HD1 HIS 27 7.067 3.416 -0.670
232 HD2 HIS 27 HD2 HIS 27 3.870 1.285 0.950
233 HE1 HIS 27 HE1 HIS 27 4.950 4.324 -1.765
234 H THR 28 HN THR 28 7.279 -1.362 2.407
235 HA THR 28 HA THR 28 9.558 -0.731 4.039
236 HB THR 28 HB THR 28 8.658 -2.583 5.490
237 HG1 THR 28 HG1 THR 28 6.751 -3.561 4.904
238 HG21 THR 28 HG21 THR 28 6.700 -0.424 4.684
239 HG22 THR 28 HG22 THR 28 7.999 -0.255 5.863
240 HG23 THR 28 HG23 THR 28 6.652 -1.346 6.186
241 H GLY 29 HN GLY 29 8.434 -3.641 2.326
242 HA2 GLY 29 HA2 GLY 29 10.253 -4.732 0.969
243 HA3 GLY 29 HA1 GLY 29 11.201 -4.662 2.448
244 H GLU 30 HN GLU 30 11.107 -6.341 3.796
245 HA GLU 30 HA GLU 30 9.390 -8.559 3.093
246 HB2 GLU 30 HB2 GLU 30 11.405 -8.350 5.333
247 HB3 GLU 30 HB1 GLU 30 10.659 -9.825 4.736
248 HG2 GLU 30 HG2 GLU 30 12.571 -8.042 3.252
249 HG3 GLU 30 HG1 GLU 30 12.903 -9.646 3.897
250 H LYS 31 HN LYS 31 9.550 -6.067 5.488
251 HA LYS 31 HA LYS 31 7.033 -7.027 6.628
252 HB2 LYS 31 HB2 LYS 31 8.785 -7.848 8.134
253 HB3 LYS 31 HB1 LYS 31 9.453 -6.229 8.260
254 HG2 LYS 31 HG2 LYS 31 8.170 -6.752 10.233
255 HG3 LYS 31 HG1 LYS 31 7.380 -5.464 9.324
256 HD2 LYS 31 HD2 LYS 31 5.727 -7.049 10.103
257 HD3 LYS 31 HD1 LYS 31 5.850 -7.139 8.347
258 HE2 LYS 31 HE2 LYS 31 7.247 -9.121 8.527
259 HE3 LYS 31 HE1 LYS 31 7.205 -9.010 10.284
260 HZ1 LYS 31 HZ1 LYS 31 5.648 -10.650 9.421
261 HZ2 LYS 31 HZ2 LYS 31 4.840 -9.448 8.549
262 HZ3 LYS 31 HZ3 LYS 31 4.843 -9.410 10.238
263 HN1 NH2 32 HN1 NH2 32 9.303 -4.473 7.515
264 HN2 NH2 32 HN2 NH2 32 8.222 -3.154 7.234
Start of MODEL 6
1 H1 ARG 1 HT1 ARG 1 -13.366 5.682 1.734
2 H2 ARG 1 HT2 ARG 1 -13.753 4.495 0.597
3 H3 ARG 1 HT3 ARG 1 -13.132 5.979 0.087
4 HA ARG 1 HA ARG 1 -11.448 4.267 -0.021
5 HB2 ARG 1 HB2 ARG 1 -11.016 6.307 2.172
6 HB3 ARG 1 HB1 ARG 1 -9.736 5.382 1.401
7 HG2 ARG 1 HG2 ARG 1 -10.222 6.431 -0.730
8 HG3 ARG 1 HG1 ARG 1 -11.569 7.312 -0.008
9 HD2 ARG 1 HD2 ARG 1 -10.037 8.488 1.469
10 HD3 ARG 1 HD1 ARG 1 -8.680 7.569 0.820
11 HE ARG 1 HE ARG 1 -9.980 8.862 -1.302
12 HH11 ARG 1 HH11 ARG 1 -8.038 9.635 1.506
13 HH12 ARG 1 HH12 ARG 1 -7.369 11.072 0.806
14 HH21 ARG 1 HH21 ARG 1 -9.101 10.750 -2.229
15 HH22 ARG 1 HH22 ARG 1 -7.979 11.710 -1.318
16 HA PRO 2 HA PRO 2 -12.524 1.381 3.359
17 HB2 PRO 2 HB2 PRO 2 -11.310 -0.565 1.514
18 HB3 PRO 2 HB1 PRO 2 -12.920 -0.565 2.243
19 HG2 PRO 2 HG2 PRO 2 -12.560 -0.070 -0.369
20 HG3 PRO 2 HG1 PRO 2 -13.823 0.746 0.572
21 HD2 PRO 2 HD2 PRO 2 -11.138 1.771 -0.280
22 HD3 PRO 2 HD1 PRO 2 -12.710 2.598 -0.277
23 H PHE 3 HN PHE 3 -9.606 1.118 1.349
24 HA PHE 3 HA PHE 3 -7.996 1.063 3.806
25 HB2 PHE 3 HB2 PHE 3 -7.623 -0.683 1.359
26 HB3 PHE 3 HB1 PHE 3 -6.491 -0.582 2.695
27 HD1 PHE 3 HD1 PHE 3 -9.494 -2.077 1.451
28 HD2 PHE 3 HD2 PHE 3 -7.243 -1.325 4.978
29 HE1 PHE 3 HE1 PHE 3 -10.762 -3.825 2.625
30 HE2 PHE 3 HE2 PHE 3 -8.501 -3.071 6.160
31 HZ PHE 3 HZ PHE 3 -10.270 -4.324 4.986
32 H NLE 4 HN NLE 4 -5.888 1.972 3.570
33 HA NLE 4 HA NLE 4 -5.081 3.157 1.082
34 HB2 NLE 4 HB1 NLE 4 -5.801 4.997 3.370
35 HB3 NLE 4 HB2 NLE 4 -6.825 4.739 1.967
36 HG2 NLE 4 HG1 NLE 4 -5.056 5.625 0.520
37 HG3 NLE 4 HG2 NLE 4 -4.056 5.919 1.944
38 HD2 NLE 4 HD1 NLE 4 -5.714 7.472 2.822
39 HD3 NLE 4 HD2 NLE 4 -6.774 7.140 1.444
40 HE1 NLE 4 HE1 NLE 4 -5.547 9.227 1.122
41 HE2 NLE 4 HE2 NLE 4 -5.067 8.022 -0.073
42 HE3 NLE 4 HE3 NLE 4 -4.021 8.366 1.304
43 H CYS 5 HN CYS 5 -2.908 3.324 1.051
44 HA CYS 5 HA CYS 5 -1.466 2.300 3.294
45 HB2 CYS 5 HB2 CYS 5 0.503 2.437 1.917
46 HB3 CYS 5 HB1 CYS 5 -0.828 1.872 0.915
47 H THR 6 HN THR 6 -2.325 5.401 2.228
48 HA THR 6 HA THR 6 -1.920 7.516 2.902
49 HB THR 6 HB THR 6 -1.704 7.847 5.374
50 HG1 THR 6 HG1 THR 6 -0.791 5.366 5.316
51 HG21 THR 6 HG21 THR 6 -3.817 5.888 4.480
52 HG22 THR 6 HG22 THR 6 -3.891 7.641 4.312
53 HG23 THR 6 HG23 THR 6 -3.899 6.910 5.916
54 H TRP 7 HN TRP 7 0.455 6.005 1.974
55 HA TRP 7 HA TRP 7 2.628 7.116 3.545
56 HB2 TRP 7 HB2 TRP 7 2.590 4.813 2.377
57 HB3 TRP 7 HB1 TRP 7 2.903 5.714 0.899
58 HD1 TRP 7 HD1 TRP 7 5.304 6.975 0.727
59 HE1 TRP 7 HE1 TRP 7 7.556 6.451 1.868
60 HE3 TRP 7 HE3 TRP 7 3.615 3.967 4.494
61 HZ2 TRP 7 HZ2 TRP 7 8.481 4.952 4.075
62 HZ3 TRP 7 HZ3 TRP 7 5.249 3.027 6.078
63 HH2 TRP 7 HH2 TRP 7 7.629 3.511 5.871
64 H SER 8 HN SER 8 3.964 8.748 2.907
65 HA SER 8 HA SER 8 2.870 10.845 1.448
66 HB2 SER 8 HB2 SER 8 5.793 10.350 2.047
67 HB3 SER 8 HB1 SER 8 5.049 11.907 1.681
68 HG SER 8 HG SER 8 5.169 10.558 4.036
69 H TYR 9 HN TYR 9 2.978 11.509 -0.609
70 HA TYR 9 HA TYR 9 3.400 11.601 -2.829
71 HB2 TYR 9 HB2 TYR 9 5.833 9.964 -2.123
72 HB3 TYR 9 HB1 TYR 9 5.514 10.623 -3.722
73 HD1 TYR 9 HD1 TYR 9 6.761 11.299 -0.410
74 HD2 TYR 9 HD2 TYR 9 5.433 13.117 -4.019
75 HE1 TYR 9 HE1 TYR 9 7.845 13.401 0.255
76 HE2 TYR 9 HE2 TYR 9 6.516 15.223 -3.364
77 HH TYR 9 HH TYR 9 7.267 16.356 -1.341
78 H CYS 10 HN CYS 10 2.217 9.083 -1.320
79 HA CYS 10 HA CYS 10 1.785 7.650 -3.844
80 HB2 CYS 10 HB2 CYS 10 3.359 6.405 -2.373
81 HB3 CYS 10 HB1 CYS 10 2.109 6.346 -1.142
82 H GLY 11 HN GLY 11 0.560 7.433 -0.490
83 HA2 GLY 11 HA2 GLY 11 -1.584 7.256 0.321
84 HA3 GLY 11 HA1 GLY 11 -1.887 8.621 -0.742
85 H LYS 12 HN LYS 12 -1.318 5.129 -1.252
86 HA LYS 12 HA LYS 12 -3.293 5.201 -3.374
87 HB2 LYS 12 HB2 LYS 12 -1.043 4.087 -3.618
88 HB3 LYS 12 HB1 LYS 12 -1.611 2.856 -2.499
89 HG2 LYS 12 HG2 LYS 12 -3.251 2.095 -4.020
90 HG3 LYS 12 HG1 LYS 12 -3.046 3.509 -5.059
91 HD2 LYS 12 HD2 LYS 12 -0.771 2.782 -5.592
92 HD3 LYS 12 HD1 LYS 12 -0.978 1.369 -4.558
93 HE2 LYS 12 HE2 LYS 12 -1.295 0.779 -6.902
94 HE3 LYS 12 HE1 LYS 12 -2.793 0.580 -5.996
95 HZ1 LYS 12 HZ1 LYS 12 -2.132 2.929 -7.689
96 HZ2 LYS 12 HZ2 LYS 12 -3.594 2.656 -6.881
97 HZ3 LYS 12 HZ3 LYS 12 -3.130 1.647 -8.154
98 H ARG 13 HN ARG 13 -5.230 4.246 -3.339
99 HA ARG 13 HA ARG 13 -6.161 3.262 -0.737
100 HB2 ARG 13 HB2 ARG 13 -8.409 3.811 -1.530
101 HB3 ARG 13 HB1 ARG 13 -7.343 5.202 -1.677
102 HG2 ARG 13 HG2 ARG 13 -7.082 4.758 -4.064
103 HG3 ARG 13 HG1 ARG 13 -8.134 3.351 -3.918
104 HD2 ARG 13 HD2 ARG 13 -9.980 4.783 -3.248
105 HD3 ARG 13 HD1 ARG 13 -8.929 6.196 -3.319
106 HE ARG 13 HE ARG 13 -9.067 4.712 -5.780
107 HH11 ARG 13 HH11 ARG 13 -10.544 7.265 -3.885
108 HH12 ARG 13 HH12 ARG 13 -11.270 8.030 -5.261
109 HH21 ARG 13 HH21 ARG 13 -10.022 5.726 -7.587
110 HH22 ARG 13 HH22 ARG 13 -10.972 7.159 -7.361
111 H PHE 14 HN PHE 14 -7.342 1.375 -0.524
112 HA PHE 14 HA PHE 14 -7.522 -0.397 -2.857
113 HB2 PHE 14 HB2 PHE 14 -6.363 -1.181 -0.170
114 HB3 PHE 14 HB1 PHE 14 -6.679 -2.285 -1.505
115 HD1 PHE 14 HD1 PHE 14 -4.473 0.236 -0.156
116 HD2 PHE 14 HD2 PHE 14 -5.351 -2.172 -3.546
117 HE1 PHE 14 HE1 PHE 14 -2.226 0.677 -1.045
118 HE2 PHE 14 HE2 PHE 14 -3.106 -1.736 -4.443
119 HZ PHE 14 HZ PHE 14 -1.566 -0.263 -3.220
120 H THR 15 HN THR 15 -8.938 -2.228 -2.501
121 HA THR 15 HA THR 15 -11.100 -1.621 -0.606
122 HB THR 15 HB THR 15 -12.411 -3.252 -2.064
123 HG1 THR 15 HG1 THR 15 -11.371 -4.168 -3.654
124 HG21 THR 15 HG21 THR 15 -12.782 -1.566 -3.861
125 HG22 THR 15 HG22 THR 15 -11.387 -0.672 -3.255
126 HG23 THR 15 HG23 THR 15 -12.814 -0.880 -2.238
127 H ARG 16 HN ARG 16 -8.518 -3.688 -1.209
128 HA ARG 16 HA ARG 16 -9.605 -5.763 0.580
129 HB2 ARG 16 HB2 ARG 16 -7.592 -6.002 -1.662
130 HB3 ARG 16 HB1 ARG 16 -7.932 -7.287 -0.517
131 HG2 ARG 16 HG2 ARG 16 -10.252 -7.349 -1.278
132 HG3 ARG 16 HG1 ARG 16 -9.897 -6.066 -2.439
133 HD2 ARG 16 HD2 ARG 16 -9.859 -8.307 -3.471
134 HD3 ARG 16 HD1 ARG 16 -8.302 -7.491 -3.574
135 HE ARG 16 HE ARG 16 -8.866 -9.513 -1.505
136 HH11 ARG 16 HH11 ARG 16 -6.853 -8.253 -4.084
137 HH12 ARG 16 HH12 ARG 16 -5.587 -9.413 -3.834
138 HH21 ARG 16 HH21 ARG 16 -7.193 -11.046 -1.187
139 HH22 ARG 16 HH22 ARG 16 -5.777 -10.993 -2.188
140 H SER 17 HN SER 17 -8.488 -6.296 2.345
141 HA SER 17 HA SER 17 -6.521 -4.488 3.307
142 HB2 SER 17 HB2 SER 17 -6.479 -6.137 5.263
143 HB3 SER 17 HB1 SER 17 -8.030 -5.379 4.903
144 HG SER 17 HG SER 17 -7.413 -7.979 4.942
145 H ASP 18 HN ASP 18 -6.424 -7.806 2.096
146 HA ASP 18 HA ASP 18 -3.703 -8.268 2.761
147 HB2 ASP 18 HB2 ASP 18 -5.384 -9.587 0.619
148 HB3 ASP 18 HB1 ASP 18 -3.839 -10.178 1.213
149 H GLU 19 HN GLU 19 -5.352 -6.875 0.030
150 HA GLU 19 HA GLU 19 -3.131 -6.713 -1.720
151 HB2 GLU 19 HB2 GLU 19 -5.556 -6.439 -2.369
152 HB3 GLU 19 HB1 GLU 19 -5.511 -4.852 -1.615
153 HG2 GLU 19 HG2 GLU 19 -5.235 -4.603 -3.970
154 HG3 GLU 19 HG1 GLU 19 -3.720 -4.199 -3.167
155 H LEU 20 HN LEU 20 -4.596 -4.446 0.588
156 HA LEU 20 HA LEU 20 -2.784 -2.347 0.303
157 HB2 LEU 20 HB2 LEU 20 -4.762 -1.976 1.569
158 HB3 LEU 20 HB1 LEU 20 -4.383 -3.285 2.673
159 HG LEU 20 HG LEU 20 -2.383 -1.954 3.425
160 HD11 LEU 20 HD11 LEU 20 -2.224 -0.521 1.447
161 HD12 LEU 20 HD12 LEU 20 -2.330 0.413 2.940
162 HD13 LEU 20 HD13 LEU 20 -3.743 0.254 1.899
163 HD21 LEU 20 HD21 LEU 20 -3.635 -0.542 4.903
164 HD22 LEU 20 HD22 LEU 20 -4.526 -2.048 4.672
165 HD23 LEU 20 HD23 LEU 20 -5.028 -0.584 3.830
166 H GLN 21 HN GLN 21 -2.674 -5.152 2.496
167 HA GLN 21 HA GLN 21 -0.312 -4.446 3.822
168 HB2 GLN 21 HB2 GLN 21 -1.502 -7.163 3.257
169 HB3 GLN 21 HB1 GLN 21 -0.100 -6.916 4.291
170 HG2 GLN 21 HG2 GLN 21 -2.845 -5.762 4.744
171 HG3 GLN 21 HG1 GLN 21 -2.158 -7.153 5.578
172 HE21 GLN 21 HE21 GLN 21 0.503 -5.958 5.752
173 HE22 GLN 21 HE22 GLN 21 0.399 -4.737 6.973
174 H ARG 22 HN ARG 22 -0.792 -6.441 0.929
175 HA ARG 22 HA ARG 22 1.881 -7.101 0.457
176 HB2 ARG 22 HB2 ARG 22 -0.105 -8.029 -0.751
177 HB3 ARG 22 HB1 ARG 22 -0.227 -6.516 -1.633
178 HG2 ARG 22 HG2 ARG 22 0.875 -8.110 -3.019
179 HG3 ARG 22 HG1 ARG 22 2.065 -6.912 -2.506
180 HD2 ARG 22 HD2 ARG 22 2.961 -9.193 -2.388
181 HD3 ARG 22 HD1 ARG 22 2.890 -8.434 -0.799
182 HE ARG 22 HE ARG 22 0.549 -9.781 -0.937
183 HH11 ARG 22 HH11 ARG 22 3.879 -10.731 -1.458
184 HH12 ARG 22 HH12 ARG 22 3.624 -12.367 -0.941
185 HH21 ARG 22 HH21 ARG 22 0.210 -11.922 -0.249
186 HH22 ARG 22 HH22 ARG 22 1.531 -13.050 -0.258
187 H HIS 23 HN HIS 23 -0.037 -4.351 -0.630
188 HA HIS 23 HA HIS 23 1.969 -3.049 -2.103
189 HB2 HIS 23 HB2 HIS 23 -0.360 -2.472 -2.381
190 HB3 HIS 23 HB1 HIS 23 -0.492 -1.995 -0.693
191 HD1 HIS 23 HD1 HIS 23 0.625 -0.711 -4.044
192 HD2 HIS 23 HD2 HIS 23 0.617 0.461 -0.044
193 HE1 HIS 23 HE1 HIS 23 1.271 1.758 -4.005
194 H LYS 24 HN LYS 24 0.998 -2.765 1.294
195 HA LYS 24 HA LYS 24 2.655 -0.652 2.037
196 HB2 LYS 24 HB2 LYS 24 1.632 -3.009 3.606
197 HB3 LYS 24 HB1 LYS 24 2.552 -1.710 4.348
198 HG2 LYS 24 HG2 LYS 24 0.856 -0.110 3.818
199 HG3 LYS 24 HG1 LYS 24 -0.022 -1.293 2.848
200 HD2 LYS 24 HD2 LYS 24 -1.101 -1.029 4.996
201 HD3 LYS 24 HD1 LYS 24 -0.401 -2.642 4.872
202 HE2 LYS 24 HE2 LYS 24 0.024 -1.733 7.069
203 HE3 LYS 24 HE1 LYS 24 1.539 -1.873 6.182
204 HZ1 LYS 24 HZ1 LYS 24 -0.028 0.632 6.481
205 HZ2 LYS 24 HZ2 LYS 24 1.474 0.479 5.721
206 HZ3 LYS 24 HZ3 LYS 24 1.341 0.230 7.386
207 H ARG 25 HN ARG 25 3.380 -4.032 1.503
208 HA ARG 25 HA ARG 25 5.847 -4.097 2.869
209 HB2 ARG 25 HB2 ARG 25 4.862 -5.743 0.543
210 HB3 ARG 25 HB1 ARG 25 6.350 -6.075 1.419
211 HG2 ARG 25 HG2 ARG 25 5.016 -6.327 3.488
212 HG3 ARG 25 HG1 ARG 25 3.554 -6.125 2.525
213 HD2 ARG 25 HD2 ARG 25 4.278 -8.084 1.153
214 HD3 ARG 25 HD1 ARG 25 5.601 -8.324 2.293
215 HE ARG 25 HE ARG 25 3.189 -8.212 3.721
216 HH11 ARG 25 HH11 ARG 25 4.947 -10.326 1.546
217 HH12 ARG 25 HH12 ARG 25 4.131 -11.759 2.074
218 HH21 ARG 25 HH21 ARG 25 2.522 -11.638 3.712
219 HH22 ARG 25 HH22 ARG 25 2.113 -10.110 4.421
220 H THR 26 HN THR 26 4.981 -2.582 -0.095
221 HA THR 26 HA THR 26 7.713 -2.562 -1.071
222 HB THR 26 HB THR 26 5.580 -2.538 -2.563
223 HG1 THR 26 HG1 THR 26 6.815 -1.110 -4.078
224 HG21 THR 26 HG21 THR 26 4.877 -0.284 -3.261
225 HG22 THR 26 HG22 THR 26 5.872 0.416 -1.984
226 HG23 THR 26 HG23 THR 26 4.486 -0.593 -1.570
227 H HIS 27 HN HIS 27 5.745 -0.709 1.026
228 HA HIS 27 HA HIS 27 7.450 1.641 0.834
229 HB2 HIS 27 HB2 HIS 27 5.056 0.993 2.551
230 HB3 HIS 27 HB1 HIS 27 6.019 2.447 2.776
231 HD1 HIS 27 HD1 HIS 27 6.304 3.708 0.131
232 HD2 HIS 27 HD2 HIS 27 2.864 1.606 1.190
233 HE1 HIS 27 HE1 HIS 27 4.455 4.517 -1.418
234 H THR 28 HN THR 28 6.418 -0.582 3.394
235 HA THR 28 HA THR 28 8.790 0.079 4.945
236 HB THR 28 HB THR 28 6.581 -1.828 5.719
237 HG1 THR 28 HG1 THR 28 6.643 0.991 5.643
238 HG21 THR 28 HG21 THR 28 7.205 -1.179 7.993
239 HG22 THR 28 HG22 THR 28 8.431 -0.083 7.354
240 HG23 THR 28 HG23 THR 28 8.599 -1.824 7.126
241 H GLY 29 HN GLY 29 10.109 -0.950 3.219
242 HA2 GLY 29 HA2 GLY 29 10.563 -3.763 3.893
243 HA3 GLY 29 HA1 GLY 29 10.235 -3.384 2.207
244 H GLU 30 HN GLU 30 11.911 -1.101 4.168
245 HA GLU 30 HA GLU 30 14.002 -0.241 4.126
246 HB2 GLU 30 HB2 GLU 30 14.748 -3.106 3.533
247 HB3 GLU 30 HB1 GLU 30 15.899 -1.841 3.948
248 HG2 GLU 30 HG2 GLU 30 13.697 -2.929 5.686
249 HG3 GLU 30 HG1 GLU 30 15.434 -3.147 5.899
250 H LYS 31 HN LYS 31 12.601 0.237 1.857
251 HA LYS 31 HA LYS 31 14.496 -0.189 -0.338
252 HB2 LYS 31 HB2 LYS 31 11.643 0.808 -0.350
253 HB3 LYS 31 HB1 LYS 31 12.664 0.733 -1.779
254 HG2 LYS 31 HG2 LYS 31 12.894 -1.733 -1.362
255 HG3 LYS 31 HG1 LYS 31 11.649 -1.561 -0.121
256 HD2 LYS 31 HD2 LYS 31 10.092 -0.697 -1.786
257 HD3 LYS 31 HD1 LYS 31 11.338 -0.819 -3.028
258 HE2 LYS 31 HE2 LYS 31 11.438 -3.269 -2.590
259 HE3 LYS 31 HE1 LYS 31 10.069 -3.081 -1.495
260 HZ1 LYS 31 HZ1 LYS 31 10.083 -2.467 -4.400
261 HZ2 LYS 31 HZ2 LYS 31 8.767 -2.217 -3.364
262 HZ3 LYS 31 HZ3 LYS 31 9.325 -3.787 -3.664
263 HN1 NH2 32 HN1 NH2 32 16.049 1.259 0.300
264 HN2 NH2 32 HN2 NH2 32 15.822 2.973 0.236
Start of MODEL 7
1 H1 ARG 1 HT1 ARG 1 -13.741 5.165 -0.534
2 H2 ARG 1 HT2 ARG 1 -13.491 5.396 1.122
3 H3 ARG 1 HT3 ARG 1 -14.397 4.078 0.581
4 HA ARG 1 HA ARG 1 -12.496 3.110 -0.463
5 HB2 ARG 1 HB2 ARG 1 -10.254 4.107 -0.070
6 HB3 ARG 1 HB1 ARG 1 -11.286 5.107 -1.081
7 HG2 ARG 1 HG2 ARG 1 -11.785 6.527 0.853
8 HG3 ARG 1 HG1 ARG 1 -10.720 5.531 1.844
9 HD2 ARG 1 HD2 ARG 1 -8.847 6.108 0.321
10 HD3 ARG 1 HD1 ARG 1 -9.933 7.191 -0.550
11 HE ARG 1 HE ARG 1 -9.468 7.576 2.328
12 HH11 ARG 1 HH11 ARG 1 -9.170 8.734 -0.965
13 HH12 ARG 1 HH12 ARG 1 -8.766 10.352 -0.491
14 HH21 ARG 1 HH21 ARG 1 -8.929 9.709 2.951
15 HH22 ARG 1 HH22 ARG 1 -8.615 10.903 1.729
16 HA PRO 2 HA PRO 2 -12.701 1.354 3.652
17 HB2 PRO 2 HB2 PRO 2 -11.493 -0.993 2.366
18 HB3 PRO 2 HB1 PRO 2 -13.046 -0.846 3.196
19 HG2 PRO 2 HG2 PRO 2 -12.873 -1.141 0.526
20 HG3 PRO 2 HG1 PRO 2 -14.151 -0.181 1.292
21 HD2 PRO 2 HD2 PRO 2 -11.653 0.739 -0.075
22 HD3 PRO 2 HD1 PRO 2 -13.289 1.426 -0.122
23 H PHE 3 HN PHE 3 -9.891 0.842 1.530
24 HA PHE 3 HA PHE 3 -8.170 1.134 3.895
25 HB2 PHE 3 HB2 PHE 3 -7.698 -0.754 1.575
26 HB3 PHE 3 HB1 PHE 3 -6.665 -0.562 2.984
27 HD1 PHE 3 HD1 PHE 3 -9.582 -2.161 1.630
28 HD2 PHE 3 HD2 PHE 3 -7.521 -1.229 5.229
29 HE1 PHE 3 HE1 PHE 3 -10.841 -3.921 2.800
30 HE2 PHE 3 HE2 PHE 3 -8.778 -2.982 6.410
31 HZ PHE 3 HZ PHE 3 -10.534 -4.251 5.214
32 H NLE 4 HN NLE 4 -6.240 2.246 3.591
33 HA NLE 4 HA NLE 4 -5.585 3.235 0.943
34 HB2 NLE 4 HB1 NLE 4 -6.256 5.100 3.227
35 HB3 NLE 4 HB2 NLE 4 -7.202 4.883 1.763
36 HG2 NLE 4 HG1 NLE 4 -5.414 5.807 0.423
37 HG3 NLE 4 HG2 NLE 4 -4.380 5.936 1.847
38 HD2 NLE 4 HD1 NLE 4 -5.973 7.520 2.849
39 HD3 NLE 4 HD2 NLE 4 -6.982 7.406 1.400
40 HE1 NLE 4 HE1 NLE 4 -4.131 8.392 1.501
41 HE2 NLE 4 HE2 NLE 4 -5.573 9.397 1.329
42 HE3 NLE 4 HE3 NLE 4 -5.128 8.266 0.050
43 H CYS 5 HN CYS 5 -3.455 3.461 0.684
44 HA CYS 5 HA CYS 5 -1.660 2.946 2.867
45 HB2 CYS 5 HB2 CYS 5 -1.084 2.108 0.671
46 HB3 CYS 5 HB1 CYS 5 -1.181 3.722 -0.015
47 H THR 6 HN THR 6 -1.370 4.494 4.339
48 HA THR 6 HA THR 6 -1.643 7.274 3.646
49 HB THR 6 HB THR 6 -1.020 7.544 6.145
50 HG1 THR 6 HG1 THR 6 -0.226 5.614 6.758
51 HG21 THR 6 HG21 THR 6 -3.292 7.789 5.278
52 HG22 THR 6 HG22 THR 6 -3.305 6.938 6.823
53 HG23 THR 6 HG23 THR 6 -3.507 6.038 5.319
54 H TRP 7 HN TRP 7 0.687 5.634 2.636
55 HA TRP 7 HA TRP 7 2.989 6.934 3.782
56 HB2 TRP 7 HB2 TRP 7 2.879 4.645 2.542
57 HB3 TRP 7 HB1 TRP 7 2.920 5.618 1.078
58 HD1 TRP 7 HD1 TRP 7 5.194 7.098 0.679
59 HE1 TRP 7 HE1 TRP 7 7.618 6.635 1.425
60 HE3 TRP 7 HE3 TRP 7 4.256 3.663 4.336
61 HZ2 TRP 7 HZ2 TRP 7 8.947 5.011 3.329
62 HZ3 TRP 7 HZ3 TRP 7 6.156 2.700 5.572
63 HH2 TRP 7 HH2 TRP 7 8.448 3.360 5.078
64 H SER 8 HN SER 8 3.537 8.979 3.349
65 HA SER 8 HA SER 8 2.123 10.701 1.705
66 HB2 SER 8 HB2 SER 8 5.010 10.957 2.572
67 HB3 SER 8 HB1 SER 8 3.971 12.274 2.032
68 HG SER 8 HG SER 8 2.714 12.025 3.843
69 H TYR 9 HN TYR 9 2.451 11.577 -0.320
70 HA TYR 9 HA TYR 9 3.112 11.740 -2.482
71 HB2 TYR 9 HB2 TYR 9 5.417 11.832 -1.911
72 HB3 TYR 9 HB1 TYR 9 5.465 10.118 -1.523
73 HD1 TYR 9 HD1 TYR 9 6.358 8.667 -3.078
74 HD2 TYR 9 HD2 TYR 9 4.765 12.378 -4.418
75 HE1 TYR 9 HE1 TYR 9 7.115 8.161 -5.357
76 HE2 TYR 9 HE2 TYR 9 5.522 11.880 -6.702
77 HH TYR 9 HH TYR 9 7.124 10.511 -7.861
78 H CYS 10 HN CYS 10 2.749 8.662 -0.958
79 HA CYS 10 HA CYS 10 2.274 7.303 -3.471
80 HB2 CYS 10 HB2 CYS 10 3.375 6.121 -1.610
81 HB3 CYS 10 HB1 CYS 10 1.929 6.332 -0.632
82 H GLY 11 HN GLY 11 0.286 7.377 -0.508
83 HA2 GLY 11 HA2 GLY 11 -1.983 7.539 -0.208
84 HA3 GLY 11 HA1 GLY 11 -1.918 8.742 -1.485
85 H LYS 12 HN LYS 12 -1.319 5.246 -1.585
86 HA LYS 12 HA LYS 12 -3.162 5.035 -3.821
87 HB2 LYS 12 HB2 LYS 12 -0.852 3.981 -3.802
88 HB3 LYS 12 HB1 LYS 12 -1.475 2.839 -2.620
89 HG2 LYS 12 HG2 LYS 12 -2.969 1.892 -4.170
90 HG3 LYS 12 HG1 LYS 12 -2.747 3.220 -5.310
91 HD2 LYS 12 HD2 LYS 12 -0.359 2.528 -5.538
92 HD3 LYS 12 HD1 LYS 12 -0.728 1.118 -4.547
93 HE2 LYS 12 HE2 LYS 12 -2.102 1.795 -7.140
94 HE3 LYS 12 HE1 LYS 12 -0.761 0.662 -6.990
95 HZ1 LYS 12 HZ1 LYS 12 -2.934 -0.434 -7.024
96 HZ2 LYS 12 HZ2 LYS 12 -3.379 0.386 -5.618
97 HZ3 LYS 12 HZ3 LYS 12 -2.106 -0.727 -5.581
98 H ARG 13 HN ARG 13 -5.153 4.187 -3.685
99 HA ARG 13 HA ARG 13 -6.074 3.378 -1.024
100 HB2 ARG 13 HB2 ARG 13 -8.354 3.696 -1.999
101 HB3 ARG 13 HB1 ARG 13 -7.358 5.146 -2.017
102 HG2 ARG 13 HG2 ARG 13 -6.902 4.863 -4.362
103 HG3 ARG 13 HG1 ARG 13 -7.747 3.315 -4.374
104 HD2 ARG 13 HD2 ARG 13 -9.034 5.955 -3.693
105 HD3 ARG 13 HD1 ARG 13 -9.087 5.204 -5.288
106 HE ARG 13 HE ARG 13 -10.001 3.303 -3.507
107 HH11 ARG 13 HH11 ARG 13 -10.962 6.510 -4.508
108 HH12 ARG 13 HH12 ARG 13 -12.652 6.219 -4.256
109 HH21 ARG 13 HH21 ARG 13 -12.217 2.910 -3.160
110 HH22 ARG 13 HH22 ARG 13 -13.368 4.168 -3.489
111 H PHE 14 HN PHE 14 -7.334 1.498 -0.676
112 HA PHE 14 HA PHE 14 -7.290 -0.506 -2.824
113 HB2 PHE 14 HB2 PHE 14 -6.316 -0.975 0.006
114 HB3 PHE 14 HB1 PHE 14 -6.507 -2.222 -1.227
115 HD1 PHE 14 HD1 PHE 14 -4.443 0.449 0.035
116 HD2 PHE 14 HD2 PHE 14 -5.067 -2.212 -3.217
117 HE1 PHE 14 HE1 PHE 14 -2.154 0.871 -0.746
118 HE2 PHE 14 HE2 PHE 14 -2.778 -1.787 -4.005
119 HZ PHE 14 HZ PHE 14 -1.351 -0.185 -2.809
120 H THR 15 HN THR 15 -8.764 -2.236 -2.533
121 HA THR 15 HA THR 15 -11.105 -1.491 -0.940
122 HB THR 15 HB THR 15 -12.258 -3.201 -2.394
123 HG1 THR 15 HG1 THR 15 -10.969 -3.601 -4.405
124 HG21 THR 15 HG21 THR 15 -10.895 -0.898 -3.792
125 HG22 THR 15 HG22 THR 15 -12.410 -0.816 -2.895
126 HG23 THR 15 HG23 THR 15 -12.316 -1.754 -4.385
127 H ARG 16 HN ARG 16 -8.522 -3.680 -1.053
128 HA ARG 16 HA ARG 16 -9.768 -5.297 1.056
129 HB2 ARG 16 HB2 ARG 16 -8.473 -7.276 0.097
130 HB3 ARG 16 HB1 ARG 16 -9.894 -6.758 -0.796
131 HG2 ARG 16 HG2 ARG 16 -8.570 -5.680 -2.441
132 HG3 ARG 16 HG1 ARG 16 -7.108 -5.894 -1.482
133 HD2 ARG 16 HD2 ARG 16 -7.178 -7.501 -3.306
134 HD3 ARG 16 HD1 ARG 16 -7.297 -8.326 -1.754
135 HE ARG 16 HE ARG 16 -9.887 -7.958 -2.507
136 HH11 ARG 16 HH11 ARG 16 -7.083 -9.403 -4.024
137 HH12 ARG 16 HH12 ARG 16 -8.009 -10.563 -4.921
138 HH21 ARG 16 HH21 ARG 16 -11.113 -9.490 -3.690
139 HH22 ARG 16 HH22 ARG 16 -10.296 -10.618 -4.726
140 H SER 17 HN SER 17 -8.448 -5.920 2.702
141 HA SER 17 HA SER 17 -6.356 -4.079 3.237
142 HB2 SER 17 HB2 SER 17 -6.179 -5.407 5.390
143 HB3 SER 17 HB1 SER 17 -7.760 -4.712 5.041
144 HG SER 17 HG SER 17 -6.936 -7.382 5.027
145 H ASP 18 HN ASP 18 -6.413 -7.462 2.294
146 HA ASP 18 HA ASP 18 -3.708 -8.018 2.934
147 HB2 ASP 18 HB2 ASP 18 -5.394 -9.787 2.503
148 HB3 ASP 18 HB1 ASP 18 -5.417 -9.326 0.806
149 H GLU 19 HN GLU 19 -5.287 -6.517 0.233
150 HA GLU 19 HA GLU 19 -3.039 -6.594 -1.522
151 HB2 GLU 19 HB2 GLU 19 -5.471 -6.253 -2.183
152 HB3 GLU 19 HB1 GLU 19 -5.295 -4.599 -1.614
153 HG2 GLU 19 HG2 GLU 19 -5.002 -4.605 -3.963
154 HG3 GLU 19 HG1 GLU 19 -3.427 -4.326 -3.225
155 H LEU 20 HN LEU 20 -4.376 -4.255 0.762
156 HA LEU 20 HA LEU 20 -2.468 -2.226 0.367
157 HB2 LEU 20 HB2 LEU 20 -4.451 -1.687 1.562
158 HB3 LEU 20 HB1 LEU 20 -4.186 -2.972 2.722
159 HG LEU 20 HG LEU 20 -2.236 -1.754 3.613
160 HD11 LEU 20 HD11 LEU 20 -1.825 0.547 2.953
161 HD12 LEU 20 HD12 LEU 20 -3.086 0.435 1.726
162 HD13 LEU 20 HD13 LEU 20 -1.625 -0.542 1.581
163 HD21 LEU 20 HD21 LEU 20 -4.756 -0.107 3.526
164 HD22 LEU 20 HD22 LEU 20 -3.482 -0.002 4.739
165 HD23 LEU 20 HD23 LEU 20 -4.458 -1.466 4.607
166 H GLN 21 HN GLN 21 -2.552 -4.968 2.621
167 HA GLN 21 HA GLN 21 -0.113 -4.409 3.912
168 HB2 GLN 21 HB2 GLN 21 -1.763 -5.981 4.812
169 HB3 GLN 21 HB1 GLN 21 -1.481 -7.070 3.460
170 HG2 GLN 21 HG2 GLN 21 -0.346 -7.797 5.503
171 HG3 GLN 21 HG1 GLN 21 0.784 -7.458 4.194
172 HE21 GLN 21 HE21 GLN 21 2.491 -7.140 5.611
173 HE22 GLN 21 HE22 GLN 21 2.623 -5.729 6.598
174 H ARG 22 HN ARG 22 -0.866 -6.526 1.179
175 HA ARG 22 HA ARG 22 1.700 -7.393 0.532
176 HB2 ARG 22 HB2 ARG 22 -0.270 -8.326 -0.512
177 HB3 ARG 22 HB1 ARG 22 -0.697 -6.772 -1.204
178 HG2 ARG 22 HG2 ARG 22 1.335 -6.886 -2.606
179 HG3 ARG 22 HG1 ARG 22 1.641 -8.503 -1.965
180 HD2 ARG 22 HD2 ARG 22 -0.501 -9.267 -2.831
181 HD3 ARG 22 HD1 ARG 22 -0.853 -7.648 -3.428
182 HE ARG 22 HE ARG 22 1.514 -9.054 -4.433
183 HH11 ARG 22 HH11 ARG 22 -1.668 -7.674 -4.996
184 HH12 ARG 22 HH12 ARG 22 -1.575 -7.877 -6.720
185 HH21 ARG 22 HH21 ARG 22 1.628 -9.309 -6.691
186 HH22 ARG 22 HH22 ARG 22 0.301 -8.798 -7.684
187 H HIS 23 HN HIS 23 -0.043 -4.476 -0.353
188 HA HIS 23 HA HIS 23 1.922 -3.387 -2.055
189 HB2 HIS 23 HB2 HIS 23 -0.297 -2.558 -2.234
190 HB3 HIS 23 HB1 HIS 23 -0.371 -2.178 -0.517
191 HD1 HIS 23 HD1 HIS 23 0.888 -0.808 -3.793
192 HD2 HIS 23 HD2 HIS 23 0.854 0.167 0.263
193 HE1 HIS 23 HE1 HIS 23 1.708 1.596 -3.611
194 H LYS 24 HN LYS 24 1.313 -2.997 1.426
195 HA LYS 24 HA LYS 24 3.109 -0.973 2.003
196 HB2 LYS 24 HB2 LYS 24 2.359 -3.406 3.616
197 HB3 LYS 24 HB1 LYS 24 3.383 -2.128 4.250
198 HG2 LYS 24 HG2 LYS 24 1.557 -0.517 3.900
199 HG3 LYS 24 HG1 LYS 24 0.528 -1.835 3.331
200 HD2 LYS 24 HD2 LYS 24 0.758 -2.955 5.492
201 HD3 LYS 24 HD1 LYS 24 1.809 -1.657 6.059
202 HE2 LYS 24 HE2 LYS 24 -0.040 -0.060 5.785
203 HE3 LYS 24 HE1 LYS 24 -1.083 -1.374 5.241
204 HZ1 LYS 24 HZ1 LYS 24 0.219 -1.241 7.905
205 HZ2 LYS 24 HZ2 LYS 24 -0.879 -2.417 7.377
206 HZ3 LYS 24 HZ3 LYS 24 -1.387 -0.821 7.592
207 H ARG 25 HN ARG 25 3.714 -4.340 1.338
208 HA ARG 25 HA ARG 25 6.412 -4.353 2.238
209 HB2 ARG 25 HB2 ARG 25 4.839 -6.230 0.479
210 HB3 ARG 25 HB1 ARG 25 6.504 -6.530 0.963
211 HG2 ARG 25 HG2 ARG 25 5.848 -6.546 3.298
212 HG3 ARG 25 HG1 ARG 25 4.187 -6.166 2.850
213 HD2 ARG 25 HD2 ARG 25 4.019 -8.275 1.650
214 HD3 ARG 25 HD1 ARG 25 5.693 -8.651 2.046
215 HE ARG 25 HE ARG 25 4.982 -8.689 4.409
216 HH11 ARG 25 HH11 ARG 25 2.606 -9.205 1.882
217 HH12 ARG 25 HH12 ARG 25 1.481 -10.001 2.934
218 HH21 ARG 25 HH21 ARG 25 1.994 -10.317 5.157
219 HH22 ARG 25 HH22 ARG 25 3.512 -9.756 5.785
220 H THR 26 HN THR 26 5.088 -2.766 -0.338
221 HA THR 26 HA THR 26 7.372 -3.149 -2.099
222 HB THR 26 HB THR 26 4.899 -2.730 -2.861
223 HG1 THR 26 HG1 THR 26 7.108 -2.600 -4.068
224 HG21 THR 26 HG21 THR 26 5.878 0.104 -2.472
225 HG22 THR 26 HG22 THR 26 4.515 -0.653 -1.646
226 HG23 THR 26 HG23 THR 26 4.441 -0.363 -3.384
227 H HIS 27 HN HIS 27 6.296 -0.998 0.397
228 HA HIS 27 HA HIS 27 8.250 1.041 -0.295
229 HB2 HIS 27 HB2 HIS 27 6.397 0.795 2.085
230 HB3 HIS 27 HB1 HIS 27 7.511 2.132 1.839
231 HD1 HIS 27 HD1 HIS 27 6.974 3.603 -0.464
232 HD2 HIS 27 HD2 HIS 27 3.968 1.137 1.048
233 HE1 HIS 27 HE1 HIS 27 4.781 4.427 -1.465
234 H THR 28 HN THR 28 7.746 -1.477 2.100
235 HA THR 28 HA THR 28 10.322 -0.868 3.341
236 HB THR 28 HB THR 28 9.489 -2.644 5.015
237 HG1 THR 28 HG1 THR 28 6.892 -2.107 4.517
238 HG21 THR 28 HG21 THR 28 8.093 -1.000 6.187
239 HG22 THR 28 HG22 THR 28 7.974 -0.046 4.710
240 HG23 THR 28 HG23 THR 28 9.535 -0.243 5.507
241 H GLY 29 HN GLY 29 9.967 -2.211 0.705
242 HA2 GLY 29 HA2 GLY 29 12.007 -4.129 0.937
243 HA3 GLY 29 HA1 GLY 29 10.460 -4.966 0.876
244 H GLU 30 HN GLU 30 11.305 -5.879 -1.129
245 HA GLU 30 HA GLU 30 11.345 -6.064 -3.390
246 HB2 GLU 30 HB2 GLU 30 8.979 -5.190 -2.970
247 HB3 GLU 30 HB1 GLU 30 9.582 -3.617 -3.461
248 HG2 GLU 30 HG2 GLU 30 10.264 -4.642 -5.633
249 HG3 GLU 30 HG1 GLU 30 9.442 -6.117 -5.124
250 H LYS 31 HN LYS 31 13.577 -4.960 -2.515
251 HA LYS 31 HA LYS 31 14.048 -2.486 -4.008
252 HB2 LYS 31 HB2 LYS 31 15.757 -3.885 -1.940
253 HB3 LYS 31 HB1 LYS 31 16.160 -2.366 -2.724
254 HG2 LYS 31 HG2 LYS 31 14.198 -1.317 -1.730
255 HG3 LYS 31 HG1 LYS 31 13.767 -2.846 -0.962
256 HD2 LYS 31 HD2 LYS 31 15.829 -2.804 0.325
257 HD3 LYS 31 HD1 LYS 31 16.319 -1.311 -0.478
258 HE2 LYS 31 HE2 LYS 31 14.392 -0.158 0.473
259 HE3 LYS 31 HE1 LYS 31 13.869 -1.652 1.249
260 HZ1 LYS 31 HZ1 LYS 31 15.044 -0.196 2.782
261 HZ2 LYS 31 HZ2 LYS 31 16.420 -0.238 1.802
262 HZ3 LYS 31 HZ3 LYS 31 15.882 -1.647 2.562
263 HN1 NH2 32 HN1 NH2 32 16.005 -5.350 -3.295
264 HN2 NH2 32 HN2 NH2 32 16.613 -5.556 -4.900
Start of MODEL 8
1 H1 ARG 1 HT1 ARG 1 -13.595 5.192 1.235
2 H2 ARG 1 HT2 ARG 1 -14.298 3.956 0.324
3 H3 ARG 1 HT3 ARG 1 -13.548 5.254 -0.455
4 HA ARG 1 HA ARG 1 -12.189 3.263 -0.503
5 HB2 ARG 1 HB2 ARG 1 -10.117 4.281 0.446
6 HB3 ARG 1 HB1 ARG 1 -11.020 5.359 -0.606
7 HG2 ARG 1 HG2 ARG 1 -11.895 6.556 1.288
8 HG3 ARG 1 HG1 ARG 1 -11.154 5.407 2.401
9 HD2 ARG 1 HD2 ARG 1 -9.832 7.438 2.281
10 HD3 ARG 1 HD1 ARG 1 -8.933 6.083 1.604
11 HE ARG 1 HE ARG 1 -9.985 7.103 -0.602
12 HH11 ARG 1 HH11 ARG 1 -8.507 8.749 2.109
13 HH12 ARG 1 HH12 ARG 1 -7.911 10.065 1.147
14 HH21 ARG 1 HH21 ARG 1 -9.204 8.825 -1.871
15 HH22 ARG 1 HH22 ARG 1 -8.308 10.110 -1.122
16 HA PRO 2 HA PRO 2 -12.892 0.850 3.251
17 HB2 PRO 2 HB2 PRO 2 -11.494 -1.163 1.585
18 HB3 PRO 2 HB1 PRO 2 -13.039 -1.285 2.435
19 HG2 PRO 2 HG2 PRO 2 -12.967 -1.055 -0.217
20 HG3 PRO 2 HG1 PRO 2 -14.208 -0.218 0.735
21 HD2 PRO 2 HD2 PRO 2 -11.691 0.880 -0.475
22 HD3 PRO 2 HD1 PRO 2 -13.320 1.584 -0.427
23 H PHE 3 HN PHE 3 -9.908 0.841 1.315
24 HA PHE 3 HA PHE 3 -8.373 1.098 3.796
25 HB2 PHE 3 HB2 PHE 3 -7.809 -0.895 1.589
26 HB3 PHE 3 HB1 PHE 3 -6.667 -0.490 2.863
27 HD1 PHE 3 HD1 PHE 3 -9.714 -2.273 2.016
28 HD2 PHE 3 HD2 PHE 3 -7.107 -1.129 5.175
29 HE1 PHE 3 HE1 PHE 3 -10.770 -3.937 3.487
30 HE2 PHE 3 HE2 PHE 3 -8.151 -2.791 6.650
31 HZ PHE 3 HZ PHE 3 -9.993 -4.199 5.807
32 H NLE 4 HN NLE 4 -6.237 2.002 3.468
33 HA NLE 4 HA NLE 4 -5.679 3.208 0.895
34 HB2 NLE 4 HB1 NLE 4 -6.257 4.873 3.349
35 HB3 NLE 4 HB2 NLE 4 -7.215 4.823 1.878
36 HG2 NLE 4 HG1 NLE 4 -5.446 5.854 0.623
37 HG3 NLE 4 HG2 NLE 4 -4.365 5.774 2.016
38 HD2 NLE 4 HD1 NLE 4 -5.886 7.270 3.255
39 HD3 NLE 4 HD2 NLE 4 -6.904 7.393 1.814
40 HE1 NLE 4 HE1 NLE 4 -5.404 9.308 1.982
41 HE2 NLE 4 HE2 NLE 4 -5.009 8.328 0.569
42 HE3 NLE 4 HE3 NLE 4 -4.012 8.226 2.020
43 H CYS 5 HN CYS 5 -3.561 3.501 0.583
44 HA CYS 5 HA CYS 5 -1.668 2.881 2.668
45 HB2 CYS 5 HB2 CYS 5 -1.134 2.157 0.421
46 HB3 CYS 5 HB1 CYS 5 -1.321 3.795 -0.195
47 H THR 6 HN THR 6 -0.944 4.332 4.085
48 HA THR 6 HA THR 6 -1.563 7.138 3.627
49 HB THR 6 HB THR 6 -0.773 7.367 6.040
50 HG1 THR 6 HG1 THR 6 -1.105 4.551 6.140
51 HG21 THR 6 HG21 THR 6 -3.083 5.503 5.472
52 HG22 THR 6 HG22 THR 6 -3.143 7.264 5.407
53 HG23 THR 6 HG23 THR 6 -2.851 6.450 6.943
54 H TRP 7 HN TRP 7 0.889 5.344 2.653
55 HA TRP 7 HA TRP 7 3.174 6.664 3.665
56 HB2 TRP 7 HB2 TRP 7 3.027 4.434 2.358
57 HB3 TRP 7 HB1 TRP 7 3.047 5.448 0.918
58 HD1 TRP 7 HD1 TRP 7 5.328 6.825 0.428
59 HE1 TRP 7 HE1 TRP 7 7.758 6.397 1.181
60 HE3 TRP 7 HE3 TRP 7 4.416 3.565 4.248
61 HZ2 TRP 7 HZ2 TRP 7 9.097 4.868 3.144
62 HZ3 TRP 7 HZ3 TRP 7 6.324 2.665 5.514
63 HH2 TRP 7 HH2 TRP 7 8.612 3.300 4.973
64 H SER 8 HN SER 8 4.060 8.533 3.167
65 HA SER 8 HA SER 8 2.656 10.526 1.835
66 HB2 SER 8 HB2 SER 8 4.469 10.822 3.565
67 HB3 SER 8 HB1 SER 8 5.640 10.496 2.291
68 HG SER 8 HG SER 8 3.716 12.587 2.268
69 H TYR 9 HN TYR 9 2.829 11.467 -0.147
70 HA TYR 9 HA TYR 9 3.164 11.694 -2.364
71 HB2 TYR 9 HB2 TYR 9 5.668 10.077 -1.884
72 HB3 TYR 9 HB1 TYR 9 5.277 10.912 -3.381
73 HD1 TYR 9 HD1 TYR 9 7.016 11.144 -0.348
74 HD2 TYR 9 HD2 TYR 9 4.760 13.499 -3.082
75 HE1 TYR 9 HE1 TYR 9 8.091 13.175 0.518
76 HE2 TYR 9 HE2 TYR 9 5.831 15.533 -2.220
77 HH TYR 9 HH TYR 9 6.942 16.276 -0.121
78 H CYS 10 HN CYS 10 2.378 8.868 -0.935
79 HA CYS 10 HA CYS 10 2.074 7.486 -3.505
80 HB2 CYS 10 HB2 CYS 10 3.299 6.288 -1.680
81 HB3 CYS 10 HB1 CYS 10 1.817 6.313 -0.735
82 H GLY 11 HN GLY 11 0.231 7.382 -0.441
83 HA2 GLY 11 HA2 GLY 11 -2.029 7.469 -0.045
84 HA3 GLY 11 HA1 GLY 11 -2.030 8.761 -1.232
85 H LYS 12 HN LYS 12 -1.502 5.255 -1.514
86 HA LYS 12 HA LYS 12 -3.298 5.199 -3.801
87 HB2 LYS 12 HB2 LYS 12 -1.088 4.107 -3.934
88 HB3 LYS 12 HB1 LYS 12 -1.546 3.035 -2.621
89 HG2 LYS 12 HG2 LYS 12 -3.237 2.007 -3.974
90 HG3 LYS 12 HG1 LYS 12 -2.946 3.163 -5.278
91 HD2 LYS 12 HD2 LYS 12 -0.728 2.307 -5.616
92 HD3 LYS 12 HD1 LYS 12 -0.866 1.270 -4.197
93 HE2 LYS 12 HE2 LYS 12 -1.183 -0.080 -6.154
94 HE3 LYS 12 HE1 LYS 12 -2.730 0.074 -5.323
95 HZ1 LYS 12 HZ1 LYS 12 -3.336 1.818 -6.901
96 HZ2 LYS 12 HZ2 LYS 12 -3.019 0.350 -7.673
97 HZ3 LYS 12 HZ3 LYS 12 -1.873 1.591 -7.720
98 H ARG 13 HN ARG 13 -5.295 4.291 -3.794
99 HA ARG 13 HA ARG 13 -6.377 3.515 -1.203
100 HB2 ARG 13 HB2 ARG 13 -8.553 3.744 -2.200
101 HB3 ARG 13 HB1 ARG 13 -7.584 5.126 -2.697
102 HG2 ARG 13 HG2 ARG 13 -7.316 4.291 -4.877
103 HG3 ARG 13 HG1 ARG 13 -7.867 2.681 -4.411
104 HD2 ARG 13 HD2 ARG 13 -9.625 3.729 -5.625
105 HD3 ARG 13 HD1 ARG 13 -10.101 3.667 -3.931
106 HE ARG 13 HE ARG 13 -8.944 6.131 -4.250
107 HH11 ARG 13 HH11 ARG 13 -11.591 4.401 -5.745
108 HH12 ARG 13 HH12 ARG 13 -12.496 5.837 -6.106
109 HH21 ARG 13 HH21 ARG 13 -10.128 8.031 -4.734
110 HH22 ARG 13 HH22 ARG 13 -11.661 7.902 -5.539
111 H PHE 14 HN PHE 14 -7.520 1.585 -0.810
112 HA PHE 14 HA PHE 14 -7.388 -0.524 -2.839
113 HB2 PHE 14 HB2 PHE 14 -6.406 -0.845 0.010
114 HB3 PHE 14 HB1 PHE 14 -6.627 -2.162 -1.138
115 HD1 PHE 14 HD1 PHE 14 -4.550 0.636 -0.144
116 HD2 PHE 14 HD2 PHE 14 -5.168 -2.394 -3.054
117 HE1 PHE 14 HE1 PHE 14 -2.267 0.986 -0.992
118 HE2 PHE 14 HE2 PHE 14 -2.888 -2.057 -3.901
119 HZ PHE 14 HZ PHE 14 -1.438 -0.363 -2.866
120 H THR 15 HN THR 15 -8.799 -2.341 -2.331
121 HA THR 15 HA THR 15 -11.123 -1.479 -0.764
122 HB THR 15 HB THR 15 -12.310 -3.296 -2.102
123 HG1 THR 15 HG1 THR 15 -11.273 -4.048 -3.923
124 HG21 THR 15 HG21 THR 15 -12.600 -0.919 -2.595
125 HG22 THR 15 HG22 THR 15 -12.561 -1.862 -4.086
126 HG23 THR 15 HG23 THR 15 -11.143 -0.938 -3.589
127 H ARG 16 HN ARG 16 -8.533 -3.620 -0.733
128 HA ARG 16 HA ARG 16 -9.754 -5.134 1.449
129 HB2 ARG 16 HB2 ARG 16 -8.680 -7.229 0.546
130 HB3 ARG 16 HB1 ARG 16 -10.056 -6.635 -0.373
131 HG2 ARG 16 HG2 ARG 16 -8.596 -5.699 -2.039
132 HG3 ARG 16 HG1 ARG 16 -7.179 -6.147 -1.090
133 HD2 ARG 16 HD2 ARG 16 -7.588 -7.716 -2.932
134 HD3 ARG 16 HD1 ARG 16 -7.710 -8.500 -1.360
135 HE ARG 16 HE ARG 16 -10.273 -7.803 -1.915
136 HH11 ARG 16 HH11 ARG 16 -7.823 -9.553 -3.695
137 HH12 ARG 16 HH12 ARG 16 -8.966 -10.577 -4.503
138 HH21 ARG 16 HH21 ARG 16 -11.779 -9.143 -2.980
139 HH22 ARG 16 HH22 ARG 16 -11.218 -10.344 -4.102
140 H SER 17 HN SER 17 -8.311 -5.965 2.955
141 HA SER 17 HA SER 17 -6.168 -4.172 3.438
142 HB2 SER 17 HB2 SER 17 -5.846 -5.702 5.480
143 HB3 SER 17 HB1 SER 17 -7.379 -4.844 5.338
144 HG SER 17 HG SER 17 -7.002 -7.444 5.551
145 H ASP 18 HN ASP 18 -6.335 -7.552 2.427
146 HA ASP 18 HA ASP 18 -3.616 -8.168 2.763
147 HB2 ASP 18 HB2 ASP 18 -5.758 -9.275 0.978
148 HB3 ASP 18 HB1 ASP 18 -4.095 -9.821 0.806
149 H GLU 19 HN GLU 19 -5.341 -6.649 0.105
150 HA GLU 19 HA GLU 19 -3.174 -6.601 -1.708
151 HB2 GLU 19 HB2 GLU 19 -5.639 -6.216 -2.234
152 HB3 GLU 19 HB1 GLU 19 -5.426 -4.593 -1.598
153 HG2 GLU 19 HG2 GLU 19 -5.263 -4.506 -3.966
154 HG3 GLU 19 HG1 GLU 19 -3.660 -4.219 -3.289
155 H LEU 20 HN LEU 20 -4.451 -4.226 0.602
156 HA LEU 20 HA LEU 20 -2.558 -2.217 0.175
157 HB2 LEU 20 HB2 LEU 20 -4.501 -1.700 1.425
158 HB3 LEU 20 HB1 LEU 20 -4.190 -2.979 2.580
159 HG LEU 20 HG LEU 20 -2.203 -1.727 3.383
160 HD11 LEU 20 HD11 LEU 20 -1.763 -0.462 1.329
161 HD12 LEU 20 HD12 LEU 20 -1.903 0.590 2.737
162 HD13 LEU 20 HD13 LEU 20 -3.240 0.464 1.596
163 HD21 LEU 20 HD21 LEU 20 -3.439 -0.057 4.616
164 HD22 LEU 20 HD22 LEU 20 -4.396 -1.534 4.484
165 HD23 LEU 20 HD23 LEU 20 -4.764 -0.148 3.458
166 H GLN 21 HN GLN 21 -2.524 -4.935 2.457
167 HA GLN 21 HA GLN 21 -0.145 -4.234 3.769
168 HB2 GLN 21 HB2 GLN 21 -1.514 -6.897 3.402
169 HB3 GLN 21 HB1 GLN 21 -0.087 -6.684 4.409
170 HG2 GLN 21 HG2 GLN 21 -1.256 -5.190 5.865
171 HG3 GLN 21 HG1 GLN 21 -2.658 -5.169 4.797
172 HE21 GLN 21 HE21 GLN 21 -2.415 -5.918 7.614
173 HE22 GLN 21 HE22 GLN 21 -3.029 -7.531 7.725
174 H ARG 22 HN ARG 22 -0.693 -6.408 1.005
175 HA ARG 22 HA ARG 22 2.007 -7.145 0.669
176 HB2 ARG 22 HB2 ARG 22 -0.248 -6.971 -1.335
177 HB3 ARG 22 HB1 ARG 22 1.338 -7.625 -1.717
178 HG2 ARG 22 HG2 ARG 22 1.025 -9.329 0.033
179 HG3 ARG 22 HG1 ARG 22 -0.595 -8.696 0.326
180 HD2 ARG 22 HD2 ARG 22 0.429 -9.894 -2.243
181 HD3 ARG 22 HD1 ARG 22 -0.700 -10.639 -1.116
182 HE ARG 22 HE ARG 22 -1.318 -8.187 -2.637
183 HH11 ARG 22 HH11 ARG 22 -2.258 -11.295 -1.317
184 HH12 ARG 22 HH12 ARG 22 -3.864 -11.220 -1.964
185 HH21 ARG 22 HH21 ARG 22 -3.417 -8.086 -3.486
186 HH22 ARG 22 HH22 ARG 22 -4.531 -9.394 -3.194
187 H HIS 23 HN HIS 23 0.102 -4.474 -0.560
188 HA HIS 23 HA HIS 23 2.048 -3.318 -2.222
189 HB2 HIS 23 HB2 HIS 23 -0.201 -2.590 -2.468
190 HB3 HIS 23 HB1 HIS 23 -0.342 -2.202 -0.758
191 HD1 HIS 23 HD1 HIS 23 0.715 -0.733 -4.027
192 HD2 HIS 23 HD2 HIS 23 0.909 0.179 0.040
193 HE1 HIS 23 HE1 HIS 23 1.480 1.695 -3.853
194 H LYS 24 HN LYS 24 1.293 -2.803 1.205
195 HA LYS 24 HA LYS 24 3.120 -0.709 1.629
196 HB2 LYS 24 HB2 LYS 24 1.983 -2.734 3.551
197 HB3 LYS 24 HB1 LYS 24 2.943 -1.348 4.048
198 HG2 LYS 24 HG2 LYS 24 1.257 0.145 3.038
199 HG3 LYS 24 HG1 LYS 24 0.287 -1.270 2.629
200 HD2 LYS 24 HD2 LYS 24 -0.544 -0.247 4.664
201 HD3 LYS 24 HD1 LYS 24 0.132 -1.837 5.015
202 HE2 LYS 24 HE2 LYS 24 2.172 -0.821 5.843
203 HE3 LYS 24 HE1 LYS 24 1.584 0.780 5.405
204 HZ1 LYS 24 HZ1 LYS 24 -0.151 0.589 7.028
205 HZ2 LYS 24 HZ2 LYS 24 1.326 0.262 7.780
206 HZ3 LYS 24 HZ3 LYS 24 0.280 -1.006 7.382
207 H ARG 25 HN ARG 25 3.516 -4.165 1.517
208 HA ARG 25 HA ARG 25 6.018 -4.324 2.802
209 HB2 ARG 25 HB2 ARG 25 4.775 -6.074 0.683
210 HB3 ARG 25 HB1 ARG 25 6.276 -6.464 1.515
211 HG2 ARG 25 HG2 ARG 25 5.084 -6.467 3.647
212 HG3 ARG 25 HG1 ARG 25 3.582 -6.092 2.804
213 HD2 ARG 25 HD2 ARG 25 3.675 -8.454 3.266
214 HD3 ARG 25 HD1 ARG 25 3.817 -8.195 1.531
215 HE ARG 25 HE ARG 25 6.372 -8.355 2.192
216 HH11 ARG 25 HH11 ARG 25 3.681 -10.321 3.272
217 HH12 ARG 25 HH12 ARG 25 4.644 -11.750 3.473
218 HH21 ARG 25 HH21 ARG 25 6.895 -11.701 3.012
219 HH22 ARG 25 HH22 ARG 25 7.641 -10.235 2.461
220 H THR 26 HN THR 26 5.085 -3.186 -0.312
221 HA THR 26 HA THR 26 7.640 -3.426 -1.550
222 HB THR 26 HB THR 26 5.466 -1.459 -2.279
223 HG1 THR 26 HG1 THR 26 5.049 -3.356 -3.831
224 HG21 THR 26 HG21 THR 26 7.670 -1.170 -3.369
225 HG22 THR 26 HG22 THR 26 6.402 -1.619 -4.508
226 HG23 THR 26 HG23 THR 26 7.566 -2.826 -3.964
227 H HIS 27 HN HIS 27 6.074 -0.987 0.465
228 HA HIS 27 HA HIS 27 8.178 0.955 0.079
229 HB2 HIS 27 HB2 HIS 27 6.016 0.796 2.193
230 HB3 HIS 27 HB1 HIS 27 7.150 2.124 2.035
231 HD1 HIS 27 HD1 HIS 27 6.926 3.385 -0.512
232 HD2 HIS 27 HD2 HIS 27 3.700 1.246 1.036
233 HE1 HIS 27 HE1 HIS 27 4.834 4.255 -1.695
234 H THR 28 HN THR 28 7.241 -1.400 2.517
235 HA THR 28 HA THR 28 9.505 -0.712 4.200
236 HB THR 28 HB THR 28 8.498 -2.540 5.691
237 HG1 THR 28 HG1 THR 28 6.305 -2.174 3.886
238 HG21 THR 28 HG21 THR 28 6.842 -0.101 5.032
239 HG22 THR 28 HG22 THR 28 8.208 -0.158 6.146
240 HG23 THR 28 HG23 THR 28 6.730 -1.046 6.516
241 H GLY 29 HN GLY 29 10.709 -1.552 2.099
242 HA2 GLY 29 HA2 GLY 29 11.062 -4.444 2.137
243 HA3 GLY 29 HA1 GLY 29 11.810 -3.315 1.015
244 H GLU 30 HN GLU 30 13.926 -3.714 1.210
245 HA GLU 30 HA GLU 30 15.154 -4.393 3.700
246 HB2 GLU 30 HB2 GLU 30 16.459 -3.552 1.105
247 HB3 GLU 30 HB1 GLU 30 17.245 -4.369 2.447
248 HG2 GLU 30 HG2 GLU 30 15.737 -6.300 2.087
249 HG3 GLU 30 HG1 GLU 30 15.091 -5.481 0.668
250 H LYS 31 HN LYS 31 14.359 -1.472 2.135
251 HA LYS 31 HA LYS 31 16.116 0.019 3.971
252 HB2 LYS 31 HB2 LYS 31 15.164 0.878 1.230
253 HB3 LYS 31 HB1 LYS 31 16.207 1.807 2.297
254 HG2 LYS 31 HG2 LYS 31 17.973 0.224 2.068
255 HG3 LYS 31 HG1 LYS 31 16.922 -0.902 1.207
256 HD2 LYS 31 HD2 LYS 31 16.692 0.777 -0.604
257 HD3 LYS 31 HD1 LYS 31 17.857 1.799 0.243
258 HE2 LYS 31 HE2 LYS 31 19.554 0.086 0.041
259 HE3 LYS 31 HE1 LYS 31 18.392 -1.013 -0.699
260 HZ1 LYS 31 HZ1 LYS 31 19.337 1.553 -1.848
261 HZ2 LYS 31 HZ2 LYS 31 18.192 0.530 -2.556
262 HZ3 LYS 31 HZ3 LYS 31 19.787 0.005 -2.363
263 HN1 NH2 32 HN1 NH2 32 13.508 1.153 1.894
264 HN2 NH2 32 HN2 NH2 32 12.476 1.693 3.172
Start of MODEL 9
1 H1 ARG 1 HT1 ARG 1 -13.133 5.488 0.237
2 H2 ARG 1 HT2 ARG 1 -13.433 4.082 -0.644
3 H3 ARG 1 HT3 ARG 1 -12.690 5.402 -1.393
4 HA ARG 1 HA ARG 1 -11.068 3.713 -0.919
5 HB2 ARG 1 HB2 ARG 1 -10.846 6.138 0.882
6 HB3 ARG 1 HB1 ARG 1 -9.511 5.071 0.474
7 HG2 ARG 1 HG2 ARG 1 -9.749 5.669 -1.882
8 HG3 ARG 1 HG1 ARG 1 -11.089 6.739 -1.474
9 HD2 ARG 1 HD2 ARG 1 -9.629 8.147 -0.169
10 HD3 ARG 1 HD1 ARG 1 -8.286 7.026 -0.396
11 HE ARG 1 HE ARG 1 -9.284 7.879 -2.901
12 HH11 ARG 1 HH11 ARG 1 -7.457 9.102 -0.175
13 HH12 ARG 1 HH12 ARG 1 -6.497 10.172 -1.142
14 HH21 ARG 1 HH21 ARG 1 -8.044 9.308 -4.165
15 HH22 ARG 1 HH22 ARG 1 -6.842 10.302 -3.409
16 HA PRO 2 HA PRO 2 -12.790 1.604 2.802
17 HB2 PRO 2 HB2 PRO 2 -11.580 -0.726 1.442
18 HB3 PRO 2 HB1 PRO 2 -13.223 -0.518 2.061
19 HG2 PRO 2 HG2 PRO 2 -12.728 -0.522 -0.565
20 HG3 PRO 2 HG1 PRO 2 -13.953 0.550 0.139
21 HD2 PRO 2 HD2 PRO 2 -11.155 1.186 -0.733
22 HD3 PRO 2 HD1 PRO 2 -12.645 2.120 -0.970
23 H PHE 3 HN PHE 3 -9.736 0.869 1.167
24 HA PHE 3 HA PHE 3 -8.351 1.165 3.746
25 HB2 PHE 3 HB2 PHE 3 -7.671 -0.782 1.522
26 HB3 PHE 3 HB1 PHE 3 -6.723 -0.534 2.982
27 HD1 PHE 3 HD1 PHE 3 -9.700 -2.044 1.559
28 HD2 PHE 3 HD2 PHE 3 -7.563 -1.274 5.153
29 HE1 PHE 3 HE1 PHE 3 -11.071 -3.718 2.728
30 HE2 PHE 3 HE2 PHE 3 -8.928 -2.952 6.328
31 HZ PHE 3 HZ PHE 3 -10.682 -4.177 5.114
32 H NLE 4 HN NLE 4 -6.464 2.391 3.663
33 HA NLE 4 HA NLE 4 -5.722 3.466 1.042
34 HB2 NLE 4 HB1 NLE 4 -6.346 5.145 3.479
35 HB3 NLE 4 HB2 NLE 4 -7.331 5.031 2.030
36 HG2 NLE 4 HG1 NLE 4 -5.621 6.089 0.716
37 HG3 NLE 4 HG2 NLE 4 -4.508 6.079 2.087
38 HD2 NLE 4 HD1 NLE 4 -6.058 7.555 3.322
39 HD3 NLE 4 HD2 NLE 4 -7.114 7.601 1.902
40 HE1 NLE 4 HE1 NLE 4 -5.303 8.590 0.589
41 HE2 NLE 4 HE2 NLE 4 -4.249 8.543 2.003
42 HE3 NLE 4 HE3 NLE 4 -5.678 9.577 1.999
43 H CYS 5 HN CYS 5 -3.613 3.480 0.750
44 HA CYS 5 HA CYS 5 -1.774 3.068 2.927
45 HB2 CYS 5 HB2 CYS 5 -1.284 2.068 0.754
46 HB3 CYS 5 HB1 CYS 5 -1.323 3.650 -0.009
47 H THR 6 HN THR 6 -1.200 4.698 4.219
48 HA THR 6 HA THR 6 -1.597 7.420 3.272
49 HB THR 6 HB THR 6 -1.122 7.962 5.740
50 HG1 THR 6 HG1 THR 6 -1.896 5.335 6.312
51 HG21 THR 6 HG21 THR 6 -3.355 8.027 4.778
52 HG22 THR 6 HG22 THR 6 -3.414 7.322 6.394
53 HG23 THR 6 HG23 THR 6 -3.512 6.282 4.972
54 H TRP 7 HN TRP 7 0.765 5.552 2.665
55 HA TRP 7 HA TRP 7 3.075 6.729 3.788
56 HB2 TRP 7 HB2 TRP 7 2.839 4.515 2.477
57 HB3 TRP 7 HB1 TRP 7 2.968 5.514 1.036
58 HD1 TRP 7 HD1 TRP 7 5.339 6.843 0.703
59 HE1 TRP 7 HE1 TRP 7 7.713 6.205 1.472
60 HE3 TRP 7 HE3 TRP 7 4.122 3.397 4.265
61 HZ2 TRP 7 HZ2 TRP 7 8.904 4.459 3.346
62 HZ3 TRP 7 HZ3 TRP 7 5.937 2.282 5.497
63 HH2 TRP 7 HH2 TRP 7 8.274 2.801 5.044
64 H SER 8 HN SER 8 4.408 8.345 3.039
65 HA SER 8 HA SER 8 3.221 10.586 1.881
66 HB2 SER 8 HB2 SER 8 5.205 10.647 3.367
67 HB3 SER 8 HB1 SER 8 6.175 9.943 2.076
68 HG SER 8 HG SER 8 4.736 12.365 1.754
69 H TYR 9 HN TYR 9 3.063 11.348 -0.123
70 HA TYR 9 HA TYR 9 3.138 11.542 -2.376
71 HB2 TYR 9 HB2 TYR 9 5.633 9.848 -2.220
72 HB3 TYR 9 HB1 TYR 9 5.111 10.787 -3.611
73 HD1 TYR 9 HD1 TYR 9 7.406 10.767 -1.087
74 HD2 TYR 9 HD2 TYR 9 4.514 13.369 -2.806
75 HE1 TYR 9 HE1 TYR 9 8.649 12.703 -0.237
76 HE2 TYR 9 HE2 TYR 9 5.754 15.309 -1.958
77 HH TYR 9 HH TYR 9 8.902 15.126 -0.834
78 H CYS 10 HN CYS 10 2.243 8.894 -0.867
79 HA CYS 10 HA CYS 10 1.834 7.388 -3.350
80 HB2 CYS 10 HB2 CYS 10 3.055 6.214 -1.518
81 HB3 CYS 10 HB1 CYS 10 1.611 6.354 -0.523
82 H GLY 11 HN GLY 11 0.014 7.279 -0.291
83 HA2 GLY 11 HA2 GLY 11 -2.233 7.488 0.126
84 HA3 GLY 11 HA1 GLY 11 -2.217 8.744 -1.099
85 H LYS 12 HN LYS 12 -1.468 5.344 -1.668
86 HA LYS 12 HA LYS 12 -3.497 5.258 -3.723
87 HB2 LYS 12 HB2 LYS 12 -1.212 4.278 -4.027
88 HB3 LYS 12 HB1 LYS 12 -1.617 3.064 -2.821
89 HG2 LYS 12 HG2 LYS 12 -3.254 2.090 -4.210
90 HG3 LYS 12 HG1 LYS 12 -3.215 3.451 -5.335
91 HD2 LYS 12 HD2 LYS 12 -0.901 2.873 -5.929
92 HD3 LYS 12 HD1 LYS 12 -0.970 1.499 -4.824
93 HE2 LYS 12 HE2 LYS 12 -1.349 0.807 -7.148
94 HE3 LYS 12 HE1 LYS 12 -2.761 0.503 -6.140
95 HZ1 LYS 12 HZ1 LYS 12 -3.343 1.458 -8.293
96 HZ2 LYS 12 HZ2 LYS 12 -2.435 2.838 -7.941
97 HZ3 LYS 12 HZ3 LYS 12 -3.804 2.470 -7.021
98 H ARG 13 HN ARG 13 -5.379 4.108 -3.666
99 HA ARG 13 HA ARG 13 -6.158 3.147 -1.009
100 HB2 ARG 13 HB2 ARG 13 -8.414 3.648 -1.536
101 HB3 ARG 13 HB1 ARG 13 -7.464 5.022 -2.077
102 HG2 ARG 13 HG2 ARG 13 -8.289 2.827 -3.949
103 HG3 ARG 13 HG1 ARG 13 -9.336 4.199 -3.594
104 HD2 ARG 13 HD2 ARG 13 -7.542 5.716 -4.361
105 HD3 ARG 13 HD1 ARG 13 -6.570 4.311 -4.792
106 HE ARG 13 HE ARG 13 -8.871 3.898 -6.145
107 HH11 ARG 13 HH11 ARG 13 -6.659 6.604 -5.946
108 HH12 ARG 13 HH12 ARG 13 -7.001 7.168 -7.550
109 HH21 ARG 13 HH21 ARG 13 -9.329 4.642 -8.254
110 HH22 ARG 13 HH22 ARG 13 -8.530 6.059 -8.858
111 H PHE 14 HN PHE 14 -7.367 1.249 -0.749
112 HA PHE 14 HA PHE 14 -7.374 -0.635 -3.001
113 HB2 PHE 14 HB2 PHE 14 -6.311 -1.264 -0.231
114 HB3 PHE 14 HB1 PHE 14 -6.441 -2.396 -1.576
115 HD1 PHE 14 HD1 PHE 14 -4.550 0.328 -0.122
116 HD2 PHE 14 HD2 PHE 14 -4.986 -2.184 -3.517
117 HE1 PHE 14 HE1 PHE 14 -2.317 0.998 -0.903
118 HE2 PHE 14 HE2 PHE 14 -2.754 -1.523 -4.303
119 HZ PHE 14 HZ PHE 14 -1.419 0.068 -2.989
120 H THR 15 HN THR 15 -8.792 -2.462 -2.645
121 HA THR 15 HA THR 15 -11.134 -1.649 -1.107
122 HB THR 15 HB THR 15 -10.912 -3.921 -3.089
123 HG1 THR 15 HG1 THR 15 -11.398 -1.142 -3.457
124 HG21 THR 15 HG21 THR 15 -13.338 -3.623 -3.297
125 HG22 THR 15 HG22 THR 15 -13.288 -2.339 -2.090
126 HG23 THR 15 HG23 THR 15 -12.885 -3.994 -1.634
127 H ARG 16 HN ARG 16 -8.549 -3.908 -1.024
128 HA ARG 16 HA ARG 16 -9.750 -5.112 1.360
129 HB2 ARG 16 HB2 ARG 16 -8.777 -7.327 0.725
130 HB3 ARG 16 HB1 ARG 16 -10.107 -6.798 -0.294
131 HG2 ARG 16 HG2 ARG 16 -8.524 -6.109 -2.013
132 HG3 ARG 16 HG1 ARG 16 -7.184 -6.628 -0.990
133 HD2 ARG 16 HD2 ARG 16 -7.756 -8.308 -2.692
134 HD3 ARG 16 HD1 ARG 16 -7.992 -8.920 -1.056
135 HE ARG 16 HE ARG 16 -10.370 -7.790 -2.210
136 HH11 ARG 16 HH11 ARG 16 -8.403 -10.684 -2.024
137 HH12 ARG 16 HH12 ARG 16 -9.733 -11.755 -2.324
138 HH21 ARG 16 HH21 ARG 16 -12.113 -9.192 -2.598
139 HH22 ARG 16 HH22 ARG 16 -11.845 -10.905 -2.653
140 H SER 17 HN SER 17 -8.321 -5.761 2.952
141 HA SER 17 HA SER 17 -6.128 -3.971 3.181
142 HB2 SER 17 HB2 SER 17 -7.581 -4.577 5.083
143 HB3 SER 17 HB1 SER 17 -6.956 -6.222 5.020
144 HG SER 17 HG SER 17 -5.115 -5.581 5.879
145 H ASP 18 HN ASP 18 -6.431 -7.340 2.364
146 HA ASP 18 HA ASP 18 -3.775 -8.132 2.876
147 HB2 ASP 18 HB2 ASP 18 -5.683 -9.173 0.768
148 HB3 ASP 18 HB1 ASP 18 -4.211 -9.977 1.299
149 H GLU 19 HN GLU 19 -5.322 -6.610 0.143
150 HA GLU 19 HA GLU 19 -3.107 -6.645 -1.620
151 HB2 GLU 19 HB2 GLU 19 -5.494 -6.279 -2.286
152 HB3 GLU 19 HB1 GLU 19 -5.419 -4.701 -1.522
153 HG2 GLU 19 HG2 GLU 19 -5.151 -4.382 -3.843
154 HG3 GLU 19 HG1 GLU 19 -3.582 -4.111 -3.087
155 H LEU 20 HN LEU 20 -4.406 -4.271 0.661
156 HA LEU 20 HA LEU 20 -2.541 -2.233 0.233
157 HB2 LEU 20 HB2 LEU 20 -4.509 -1.734 1.462
158 HB3 LEU 20 HB1 LEU 20 -4.177 -2.990 2.637
159 HG LEU 20 HG LEU 20 -2.227 -1.689 3.441
160 HD11 LEU 20 HD11 LEU 20 -1.776 -0.467 1.363
161 HD12 LEU 20 HD12 LEU 20 -1.932 0.609 2.752
162 HD13 LEU 20 HD13 LEU 20 -3.259 0.458 1.601
163 HD21 LEU 20 HD21 LEU 20 -3.500 0.005 4.616
164 HD22 LEU 20 HD22 LEU 20 -4.428 -1.494 4.520
165 HD23 LEU 20 HD23 LEU 20 -4.814 -0.145 3.451
166 H GLN 21 HN GLN 21 -2.492 -4.901 2.590
167 HA GLN 21 HA GLN 21 -0.090 -4.119 3.835
168 HB2 GLN 21 HB2 GLN 21 -1.440 -6.813 3.651
169 HB3 GLN 21 HB1 GLN 21 -0.002 -6.518 4.622
170 HG2 GLN 21 HG2 GLN 21 -2.692 -5.204 4.961
171 HG3 GLN 21 HG1 GLN 21 -1.983 -6.437 6.002
172 HE21 GLN 21 HE21 GLN 21 -2.883 -3.727 6.633
173 HE22 GLN 21 HE22 GLN 21 -1.515 -2.921 7.317
174 H ARG 22 HN ARG 22 -0.723 -6.349 1.156
175 HA ARG 22 HA ARG 22 1.965 -7.150 0.794
176 HB2 ARG 22 HB2 ARG 22 0.057 -8.357 -0.196
177 HB3 ARG 22 HB1 ARG 22 -0.263 -6.986 -1.248
178 HG2 ARG 22 HG2 ARG 22 0.888 -8.657 -2.498
179 HG3 ARG 22 HG1 ARG 22 1.985 -7.301 -2.245
180 HD2 ARG 22 HD2 ARG 22 3.045 -8.509 -0.400
181 HD3 ARG 22 HD1 ARG 22 1.950 -9.865 -0.657
182 HE ARG 22 HE ARG 22 3.422 -9.164 -3.014
183 HH11 ARG 22 HH11 ARG 22 3.554 -10.964 -0.014
184 HH12 ARG 22 HH12 ARG 22 4.749 -12.082 -0.589
185 HH21 ARG 22 HH21 ARG 22 4.994 -10.646 -3.775
186 HH22 ARG 22 HH22 ARG 22 5.559 -11.909 -2.727
187 H HIS 23 HN HIS 23 0.037 -4.502 -0.462
188 HA HIS 23 HA HIS 23 1.945 -3.393 -2.200
189 HB2 HIS 23 HB2 HIS 23 -0.272 -2.610 -2.422
190 HB3 HIS 23 HB1 HIS 23 -0.415 -2.265 -0.702
191 HD1 HIS 23 HD1 HIS 23 0.624 -0.709 -3.931
192 HD2 HIS 23 HD2 HIS 23 0.868 0.081 0.158
193 HE1 HIS 23 HE1 HIS 23 1.368 1.719 -3.697
194 H LYS 24 HN LYS 24 1.267 -2.736 1.239
195 HA LYS 24 HA LYS 24 3.115 -0.679 1.603
196 HB2 LYS 24 HB2 LYS 24 2.191 -2.769 3.570
197 HB3 LYS 24 HB1 LYS 24 3.102 -1.332 4.007
198 HG2 LYS 24 HG2 LYS 24 1.259 0.052 3.089
199 HG3 LYS 24 HG1 LYS 24 0.337 -1.428 2.821
200 HD2 LYS 24 HD2 LYS 24 -0.362 -0.420 4.897
201 HD3 LYS 24 HD1 LYS 24 0.498 -1.923 5.237
202 HE2 LYS 24 HE2 LYS 24 2.513 -0.675 5.781
203 HE3 LYS 24 HE1 LYS 24 1.709 0.841 5.378
204 HZ1 LYS 24 HZ1 LYS 24 1.747 0.460 7.758
205 HZ2 LYS 24 HZ2 LYS 24 0.921 -1.004 7.566
206 HZ3 LYS 24 HZ3 LYS 24 0.157 0.451 7.182
207 H ARG 25 HN ARG 25 3.578 -4.095 1.351
208 HA ARG 25 HA ARG 25 6.155 -4.243 2.495
209 HB2 ARG 25 HB2 ARG 25 4.770 -5.980 0.458
210 HB3 ARG 25 HB1 ARG 25 6.320 -6.378 1.187
211 HG2 ARG 25 HG2 ARG 25 3.756 -5.968 2.705
212 HG3 ARG 25 HG1 ARG 25 4.419 -7.533 2.238
213 HD2 ARG 25 HD2 ARG 25 5.683 -5.503 4.079
214 HD3 ARG 25 HD1 ARG 25 4.991 -7.057 4.539
215 HE ARG 25 HE ARG 25 6.905 -7.741 2.747
216 HH11 ARG 25 HH11 ARG 25 6.906 -5.819 5.664
217 HH12 ARG 25 HH12 ARG 25 8.568 -6.144 6.032
218 HH21 ARG 25 HH21 ARG 25 9.813 -7.487 4.641
219 HH22 ARG 25 HH22 ARG 25 9.093 -8.176 3.222
220 H THR 26 HN THR 26 5.097 -2.826 -0.411
221 HA THR 26 HA THR 26 7.600 -3.208 -1.805
222 HB THR 26 HB THR 26 5.242 -2.899 -2.888
223 HG1 THR 26 HG1 THR 26 6.909 -1.289 -4.330
224 HG21 THR 26 HG21 THR 26 4.650 -0.770 -1.875
225 HG22 THR 26 HG22 THR 26 4.810 -0.579 -3.621
226 HG23 THR 26 HG23 THR 26 6.096 -0.020 -2.552
227 H HIS 27 HN HIS 27 6.170 -0.840 0.328
228 HA HIS 27 HA HIS 27 8.134 1.192 -0.252
229 HB2 HIS 27 HB2 HIS 27 6.204 0.909 2.059
230 HB3 HIS 27 HB1 HIS 27 7.272 2.283 1.829
231 HD1 HIS 27 HD1 HIS 27 6.784 3.604 -0.624
232 HD2 HIS 27 HD2 HIS 27 3.780 1.261 1.065
233 HE1 HIS 27 HE1 HIS 27 4.580 4.391 -1.643
234 H THR 28 HN THR 28 7.572 -1.219 2.251
235 HA THR 28 HA THR 28 9.898 -0.535 3.764
236 HB THR 28 HB THR 28 9.392 -2.827 4.851
237 HG1 THR 28 HG1 THR 28 6.801 -2.652 3.919
238 HG21 THR 28 HG21 THR 28 7.323 -0.622 4.898
239 HG22 THR 28 HG22 THR 28 8.781 -0.703 5.888
240 HG23 THR 28 HG23 THR 28 7.495 -1.889 6.113
241 H GLY 29 HN GLY 29 9.135 -2.774 1.200
242 HA2 GLY 29 HA2 GLY 29 11.761 -4.041 1.393
243 HA3 GLY 29 HA1 GLY 29 10.457 -4.516 0.314
244 H GLU 30 HN GLU 30 11.847 -1.301 0.787
245 HA GLU 30 HA GLU 30 12.681 -1.348 -2.035
246 HB2 GLU 30 HB2 GLU 30 10.958 0.342 -1.527
247 HB3 GLU 30 HB1 GLU 30 11.997 1.027 -0.286
248 HG2 GLU 30 HG2 GLU 30 12.022 2.340 -2.347
249 HG3 GLU 30 HG1 GLU 30 13.613 1.696 -1.951
250 H LYS 31 HN LYS 31 14.720 -0.633 -2.580
251 HA LYS 31 HA LYS 31 16.595 -0.253 -0.341
252 HB2 LYS 31 HB2 LYS 31 17.050 -1.844 -2.877
253 HB3 LYS 31 HB1 LYS 31 18.278 -1.507 -1.667
254 HG2 LYS 31 HG2 LYS 31 17.038 -2.801 -0.023
255 HG3 LYS 31 HG1 LYS 31 15.765 -3.105 -1.207
256 HD2 LYS 31 HD2 LYS 31 17.389 -4.268 -2.635
257 HD3 LYS 31 HD1 LYS 31 18.646 -3.979 -1.434
258 HE2 LYS 31 HE2 LYS 31 16.126 -5.575 -0.986
259 HE3 LYS 31 HE1 LYS 31 17.721 -6.253 -1.300
260 HZ1 LYS 31 HZ1 LYS 31 16.947 -4.618 1.057
261 HZ2 LYS 31 HZ2 LYS 31 18.503 -5.200 0.750
262 HZ3 LYS 31 HZ3 LYS 31 17.242 -6.282 1.047
263 HN1 NH2 32 HN1 NH2 32 16.376 2.000 -0.705
264 HN2 NH2 32 HN2 NH2 32 17.119 2.772 -2.065
Start of MODEL 10
1 H1 ARG 1 HT1 ARG 1 -14.853 3.381 1.046
2 H2 ARG 1 HT2 ARG 1 -14.564 4.789 0.160
3 H3 ARG 1 HT3 ARG 1 -14.395 4.800 1.842
4 HA ARG 1 HA ARG 1 -12.721 3.279 -0.071
5 HB2 ARG 1 HB2 ARG 1 -12.301 5.715 -0.053
6 HB3 ARG 1 HB1 ARG 1 -12.060 5.651 1.686
7 HG2 ARG 1 HG2 ARG 1 -10.153 4.100 1.304
8 HG3 ARG 1 HG1 ARG 1 -10.355 4.361 -0.430
9 HD2 ARG 1 HD2 ARG 1 -9.745 6.481 1.628
10 HD3 ARG 1 HD1 ARG 1 -8.602 5.795 0.476
11 HE ARG 1 HE ARG 1 -10.813 6.860 -0.908
12 HH11 ARG 1 HH11 ARG 1 -8.046 7.917 0.956
13 HH12 ARG 1 HH12 ARG 1 -7.879 9.413 0.099
14 HH21 ARG 1 HH21 ARG 1 -10.616 8.832 -2.026
15 HH22 ARG 1 HH22 ARG 1 -9.352 9.941 -1.597
16 HA PRO 2 HA PRO 2 -12.662 0.862 3.764
17 HB2 PRO 2 HB2 PRO 2 -11.331 -1.136 2.078
18 HB3 PRO 2 HB1 PRO 2 -12.833 -1.266 2.997
19 HG2 PRO 2 HG2 PRO 2 -12.804 -1.150 0.307
20 HG3 PRO 2 HG1 PRO 2 -14.114 -0.446 1.271
21 HD2 PRO 2 HD2 PRO 2 -11.793 0.905 -0.048
22 HD3 PRO 2 HD1 PRO 2 -13.486 1.427 0.066
23 H PHE 3 HN PHE 3 -9.930 0.875 1.449
24 HA PHE 3 HA PHE 3 -8.123 1.203 3.740
25 HB2 PHE 3 HB2 PHE 3 -7.736 -0.777 1.482
26 HB3 PHE 3 HB1 PHE 3 -6.554 -0.424 2.733
27 HD1 PHE 3 HD1 PHE 3 -9.602 -2.186 1.902
28 HD2 PHE 3 HD2 PHE 3 -6.990 -1.068 5.065
29 HE1 PHE 3 HE1 PHE 3 -10.595 -3.922 3.328
30 HE2 PHE 3 HE2 PHE 3 -7.977 -2.803 6.499
31 HZ PHE 3 HZ PHE 3 -9.882 -4.149 5.663
32 H NLE 4 HN NLE 4 -6.187 2.280 3.304
33 HA NLE 4 HA NLE 4 -5.583 3.166 0.631
34 HB2 NLE 4 HB1 NLE 4 -5.978 5.333 2.666
35 HB3 NLE 4 HB2 NLE 4 -7.358 4.740 1.759
36 HG2 NLE 4 HG1 NLE 4 -6.679 6.587 0.542
37 HG3 NLE 4 HG2 NLE 4 -5.946 5.246 -0.331
38 HD2 NLE 4 HD1 NLE 4 -4.308 6.966 -0.160
39 HD3 NLE 4 HD2 NLE 4 -3.832 5.672 0.950
40 HE1 NLE 4 HE1 NLE 4 -5.293 8.199 1.716
41 HE2 NLE 4 HE2 NLE 4 -3.581 7.878 1.985
42 HE3 NLE 4 HE3 NLE 4 -4.799 6.914 2.817
43 H CYS 5 HN CYS 5 -3.443 3.427 0.409
44 HA CYS 5 HA CYS 5 -1.710 2.814 2.582
45 HB2 CYS 5 HB2 CYS 5 -1.033 2.114 0.407
46 HB3 CYS 5 HB1 CYS 5 -1.203 3.738 -0.242
47 H THR 6 HN THR 6 -1.148 4.164 4.120
48 HA THR 6 HA THR 6 -1.534 7.006 3.763
49 HB THR 6 HB THR 6 -0.928 7.063 6.230
50 HG1 THR 6 HG1 THR 6 0.001 5.265 6.878
51 HG21 THR 6 HG21 THR 6 -3.246 7.073 5.474
52 HG22 THR 6 HG22 THR 6 -3.085 6.085 6.926
53 HG23 THR 6 HG23 THR 6 -3.230 5.314 5.347
54 H TRP 7 HN TRP 7 0.779 5.477 2.506
55 HA TRP 7 HA TRP 7 3.096 6.642 3.768
56 HB2 TRP 7 HB2 TRP 7 3.028 4.453 2.418
57 HB3 TRP 7 HB1 TRP 7 3.011 5.482 0.991
58 HD1 TRP 7 HD1 TRP 7 5.247 6.933 0.504
59 HE1 TRP 7 HE1 TRP 7 7.691 6.554 1.224
60 HE3 TRP 7 HE3 TRP 7 4.462 3.592 4.284
61 HZ2 TRP 7 HZ2 TRP 7 9.098 5.026 3.143
62 HZ3 TRP 7 HZ3 TRP 7 6.409 2.717 5.511
63 HH2 TRP 7 HH2 TRP 7 8.673 3.418 4.952
64 H SER 8 HN SER 8 4.060 8.487 3.275
65 HA SER 8 HA SER 8 2.653 10.549 2.046
66 HB2 SER 8 HB2 SER 8 4.402 10.854 3.770
67 HB3 SER 8 HB1 SER 8 5.625 10.392 2.588
68 HG SER 8 HG SER 8 5.395 12.668 2.788
69 H TYR 9 HN TYR 9 2.616 11.407 0.066
70 HA TYR 9 HA TYR 9 2.895 11.702 -2.153
71 HB2 TYR 9 HB2 TYR 9 5.635 10.608 -1.545
72 HB3 TYR 9 HB1 TYR 9 5.157 11.140 -3.152
73 HD1 TYR 9 HD1 TYR 9 6.287 12.156 0.104
74 HD2 TYR 9 HD2 TYR 9 4.489 13.550 -3.486
75 HE1 TYR 9 HE1 TYR 9 6.887 14.460 0.706
76 HE2 TYR 9 HE2 TYR 9 5.086 15.859 -2.898
77 HH TYR 9 HH TYR 9 5.613 17.177 -0.898
78 H CYS 10 HN CYS 10 2.219 8.946 -0.840
79 HA CYS 10 HA CYS 10 2.169 7.549 -3.426
80 HB2 CYS 10 HB2 CYS 10 3.383 6.320 -1.654
81 HB3 CYS 10 HB1 CYS 10 1.931 6.351 -0.661
82 H GLY 11 HN GLY 11 0.246 7.221 -0.447
83 HA2 GLY 11 HA2 GLY 11 -2.015 7.246 -0.096
84 HA3 GLY 11 HA1 GLY 11 -2.025 8.585 -1.224
85 H LYS 12 HN LYS 12 -1.265 5.178 -1.872
86 HA LYS 12 HA LYS 12 -3.242 5.133 -3.981
87 HB2 LYS 12 HB2 LYS 12 -1.048 4.054 -4.302
88 HB3 LYS 12 HB1 LYS 12 -1.398 2.951 -2.978
89 HG2 LYS 12 HG2 LYS 12 -3.159 1.919 -4.203
90 HG3 LYS 12 HG1 LYS 12 -3.059 3.132 -5.477
91 HD2 LYS 12 HD2 LYS 12 -0.653 1.487 -4.825
92 HD3 LYS 12 HD1 LYS 12 -1.954 0.774 -5.778
93 HE2 LYS 12 HE2 LYS 12 -0.320 1.676 -7.286
94 HE3 LYS 12 HE1 LYS 12 -1.765 2.679 -7.365
95 HZ1 LYS 12 HZ1 LYS 12 0.670 3.333 -5.798
96 HZ2 LYS 12 HZ2 LYS 12 -0.696 4.315 -5.983
97 HZ3 LYS 12 HZ3 LYS 12 0.286 3.974 -7.311
98 H ARG 13 HN ARG 13 -5.216 4.201 -3.886
99 HA ARG 13 HA ARG 13 -6.110 3.363 -1.236
100 HB2 ARG 13 HB2 ARG 13 -8.376 3.720 -2.089
101 HB3 ARG 13 HB1 ARG 13 -7.370 5.139 -2.333
102 HG2 ARG 13 HG2 ARG 13 -7.076 4.538 -4.680
103 HG3 ARG 13 HG1 ARG 13 -8.062 3.097 -4.435
104 HD2 ARG 13 HD2 ARG 13 -9.002 5.931 -4.010
105 HD3 ARG 13 HD1 ARG 13 -9.313 4.973 -5.458
106 HE ARG 13 HE ARG 13 -10.227 3.459 -3.352
107 HH11 ARG 13 HH11 ARG 13 -10.906 6.634 -4.651
108 HH12 ARG 13 HH12 ARG 13 -12.575 6.613 -4.177
109 HH21 ARG 13 HH21 ARG 13 -12.413 3.418 -2.719
110 HH22 ARG 13 HH22 ARG 13 -13.437 4.769 -3.080
111 H PHE 14 HN PHE 14 -7.333 1.496 -0.847
112 HA PHE 14 HA PHE 14 -7.378 -0.549 -2.947
113 HB2 PHE 14 HB2 PHE 14 -6.237 -1.000 -0.177
114 HB3 PHE 14 HB1 PHE 14 -6.469 -2.238 -1.410
115 HD1 PHE 14 HD1 PHE 14 -4.334 0.352 -0.161
116 HD2 PHE 14 HD2 PHE 14 -5.168 -2.101 -3.527
117 HE1 PHE 14 HE1 PHE 14 -2.089 0.813 -1.048
118 HE2 PHE 14 HE2 PHE 14 -2.925 -1.638 -4.424
119 HZ PHE 14 HZ PHE 14 -1.408 -0.137 -3.213
120 H THR 15 HN THR 15 -8.714 -2.401 -2.359
121 HA THR 15 HA THR 15 -11.035 -1.515 -0.811
122 HB THR 15 HB THR 15 -12.207 -3.373 -2.073
123 HG1 THR 15 HG1 THR 15 -11.141 -4.194 -3.886
124 HG21 THR 15 HG21 THR 15 -12.387 -2.071 -4.153
125 HG22 THR 15 HG22 THR 15 -10.967 -1.137 -3.681
126 HG23 THR 15 HG23 THR 15 -12.446 -1.033 -2.729
127 H ARG 16 HN ARG 16 -8.475 -3.795 -0.770
128 HA ARG 16 HA ARG 16 -9.747 -5.145 1.502
129 HB2 ARG 16 HB2 ARG 16 -8.961 -7.322 0.757
130 HB3 ARG 16 HB1 ARG 16 -9.995 -6.603 -0.465
131 HG2 ARG 16 HG2 ARG 16 -7.910 -5.867 -1.648
132 HG3 ARG 16 HG1 ARG 16 -7.004 -6.858 -0.505
133 HD2 ARG 16 HD2 ARG 16 -7.381 -8.101 -2.543
134 HD3 ARG 16 HD1 ARG 16 -8.303 -8.829 -1.230
135 HE ARG 16 HE ARG 16 -10.246 -7.513 -2.176
136 HH11 ARG 16 HH11 ARG 16 -7.583 -8.637 -4.167
137 HH12 ARG 16 HH12 ARG 16 -8.533 -8.701 -5.615
138 HH21 ARG 16 HH21 ARG 16 -11.485 -7.584 -4.083
139 HH22 ARG 16 HH22 ARG 16 -10.751 -8.084 -5.575
140 H SER 17 HN SER 17 -8.353 -5.992 3.049
141 HA SER 17 HA SER 17 -6.202 -4.233 3.582
142 HB2 SER 17 HB2 SER 17 -5.929 -5.743 5.624
143 HB3 SER 17 HB1 SER 17 -7.487 -4.942 5.433
144 HG SER 17 HG SER 17 -7.288 -7.387 5.875
145 H ASP 18 HN ASP 18 -6.352 -7.573 2.482
146 HA ASP 18 HA ASP 18 -3.628 -8.185 2.920
147 HB2 ASP 18 HB2 ASP 18 -5.631 -9.350 0.985
148 HB3 ASP 18 HB1 ASP 18 -3.997 -9.971 1.168
149 H GLU 19 HN GLU 19 -5.347 -6.681 0.268
150 HA GLU 19 HA GLU 19 -3.185 -6.657 -1.563
151 HB2 GLU 19 HB2 GLU 19 -5.573 -6.330 -2.195
152 HB3 GLU 19 HB1 GLU 19 -5.531 -4.762 -1.407
153 HG2 GLU 19 HG2 GLU 19 -5.291 -4.538 -3.798
154 HG3 GLU 19 HG1 GLU 19 -3.834 -4.006 -2.964
155 H LEU 20 HN LEU 20 -4.505 -4.212 0.659
156 HA LEU 20 HA LEU 20 -2.583 -2.237 0.229
157 HB2 LEU 20 HB2 LEU 20 -4.532 -1.675 1.465
158 HB3 LEU 20 HB1 LEU 20 -4.235 -2.939 2.641
159 HG LEU 20 HG LEU 20 -2.239 -1.696 3.434
160 HD11 LEU 20 HD11 LEU 20 -1.874 0.586 2.740
161 HD12 LEU 20 HD12 LEU 20 -3.229 0.492 1.618
162 HD13 LEU 20 HD13 LEU 20 -1.786 -0.483 1.340
163 HD21 LEU 20 HD21 LEU 20 -4.754 -0.045 3.463
164 HD22 LEU 20 HD22 LEU 20 -3.447 -0.010 4.646
165 HD23 LEU 20 HD23 LEU 20 -4.461 -1.446 4.492
166 H GLN 21 HN GLN 21 -2.589 -4.993 2.447
167 HA GLN 21 HA GLN 21 -0.195 -4.350 3.778
168 HB2 GLN 21 HB2 GLN 21 -1.870 -6.018 4.569
169 HB3 GLN 21 HB1 GLN 21 -1.335 -7.106 3.295
170 HG2 GLN 21 HG2 GLN 21 -0.335 -7.669 5.442
171 HG3 GLN 21 HG1 GLN 21 0.885 -7.191 4.262
172 HE21 GLN 21 HE21 GLN 21 1.991 -5.262 4.540
173 HE22 GLN 21 HE22 GLN 21 1.976 -4.394 6.037
174 H ARG 22 HN ARG 22 -0.824 -6.421 0.962
175 HA ARG 22 HA ARG 22 1.818 -7.195 0.449
176 HB2 ARG 22 HB2 ARG 22 -0.511 -6.727 -1.411
177 HB3 ARG 22 HB1 ARG 22 1.044 -7.322 -1.974
178 HG2 ARG 22 HG2 ARG 22 0.821 -9.293 -0.582
179 HG3 ARG 22 HG1 ARG 22 -0.710 -8.687 0.058
180 HD2 ARG 22 HD2 ARG 22 -1.673 -8.739 -2.187
181 HD3 ARG 22 HD1 ARG 22 -0.142 -9.324 -2.835
182 HE ARG 22 HE ARG 22 -0.916 -11.100 -0.843
183 HH11 ARG 22 HH11 ARG 22 -2.109 -9.992 -3.946
184 HH12 ARG 22 HH12 ARG 22 -2.900 -11.488 -4.324
185 HH21 ARG 22 HH21 ARG 22 -1.938 -13.086 -1.346
186 HH22 ARG 22 HH22 ARG 22 -2.801 -13.249 -2.843
187 H HIS 23 HN HIS 23 -0.034 -4.400 -0.619
188 HA HIS 23 HA HIS 23 1.963 -3.222 -2.190
189 HB2 HIS 23 HB2 HIS 23 -0.281 -2.466 -2.466
190 HB3 HIS 23 HB1 HIS 23 -0.430 -2.066 -0.756
191 HD1 HIS 23 HD1 HIS 23 0.858 -0.689 -4.007
192 HD2 HIS 23 HD2 HIS 23 0.806 0.287 0.046
193 HE1 HIS 23 HE1 HIS 23 1.741 1.698 -3.814
194 H LYS 24 HN LYS 24 1.165 -2.767 1.255
195 HA LYS 24 HA LYS 24 2.961 -0.707 1.804
196 HB2 LYS 24 HB2 LYS 24 2.013 -2.965 3.566
197 HB3 LYS 24 HB1 LYS 24 2.985 -1.627 4.159
198 HG2 LYS 24 HG2 LYS 24 1.216 -0.061 3.465
199 HG3 LYS 24 HG1 LYS 24 0.239 -1.429 2.934
200 HD2 LYS 24 HD2 LYS 24 -0.509 -0.758 5.112
201 HD3 LYS 24 HD1 LYS 24 0.313 -2.313 5.257
202 HE2 LYS 24 HE2 LYS 24 0.964 -0.828 7.074
203 HE3 LYS 24 HE1 LYS 24 2.339 -1.168 6.026
204 HZ1 LYS 24 HZ1 LYS 24 0.681 1.296 5.924
205 HZ2 LYS 24 HZ2 LYS 24 2.040 0.972 4.971
206 HZ3 LYS 24 HZ3 LYS 24 2.209 1.175 6.638
207 H ARG 25 HN ARG 25 3.494 -4.101 1.332
208 HA ARG 25 HA ARG 25 6.106 -4.192 2.448
209 HB2 ARG 25 HB2 ARG 25 4.730 -6.013 0.473
210 HB3 ARG 25 HB1 ARG 25 6.272 -6.365 1.244
211 HG2 ARG 25 HG2 ARG 25 5.213 -6.333 3.422
212 HG3 ARG 25 HG1 ARG 25 3.670 -5.919 2.685
213 HD2 ARG 25 HD2 ARG 25 3.715 -8.054 1.457
214 HD3 ARG 25 HD1 ARG 25 5.229 -8.463 2.260
215 HE ARG 25 HE ARG 25 3.735 -8.078 4.375
216 HH11 ARG 25 HH11 ARG 25 2.875 -9.712 1.401
217 HH12 ARG 25 HH12 ARG 25 1.715 -10.755 2.158
218 HH21 ARG 25 HH21 ARG 25 1.323 -10.594 4.415
219 HH22 ARG 25 HH22 ARG 25 2.199 -9.443 5.374
220 H THR 26 HN THR 26 4.969 -2.674 -0.314
221 HA THR 26 HA THR 26 7.393 -3.033 -1.857
222 HB THR 26 HB THR 26 4.993 -2.550 -2.806
223 HG1 THR 26 HG1 THR 26 7.470 -1.499 -3.695
224 HG21 THR 26 HG21 THR 26 4.633 -0.174 -3.336
225 HG22 THR 26 HG22 THR 26 6.015 0.253 -2.327
226 HG23 THR 26 HG23 THR 26 4.581 -0.470 -1.598
227 H HIS 27 HN HIS 27 6.226 -0.945 0.617
228 HA HIS 27 HA HIS 27 8.283 1.054 0.066
229 HB2 HIS 27 HB2 HIS 27 6.198 0.949 2.255
230 HB3 HIS 27 HB1 HIS 27 7.336 2.264 2.013
231 HD1 HIS 27 HD1 HIS 27 7.013 3.486 -0.526
232 HD2 HIS 27 HD2 HIS 27 3.837 1.335 1.115
233 HE1 HIS 27 HE1 HIS 27 4.894 4.304 -1.689
234 H THR 28 HN THR 28 7.335 -1.267 2.562
235 HA THR 28 HA THR 28 9.921 -0.905 3.882
236 HB THR 28 HB THR 28 7.507 -2.467 4.824
237 HG1 THR 28 HG1 THR 28 8.409 0.162 5.482
238 HG21 THR 28 HG21 THR 28 8.595 -2.358 7.022
239 HG22 THR 28 HG22 THR 28 9.976 -1.534 6.300
240 HG23 THR 28 HG23 THR 28 9.609 -3.200 5.851
241 H GLY 29 HN GLY 29 11.240 -2.026 2.445
242 HA2 GLY 29 HA2 GLY 29 12.379 -4.187 2.369
243 HA3 GLY 29 HA1 GLY 29 10.791 -4.943 2.347
244 H GLU 30 HN GLU 30 13.249 -4.736 0.445
245 HA GLU 30 HA GLU 30 11.845 -3.734 -1.926
246 HB2 GLU 30 HB2 GLU 30 14.765 -4.321 -1.439
247 HB3 GLU 30 HB1 GLU 30 14.112 -3.844 -2.999
248 HG2 GLU 30 HG2 GLU 30 13.977 -2.206 -0.478
249 HG3 GLU 30 HG1 GLU 30 15.125 -1.969 -1.794
250 H LYS 31 HN LYS 31 11.872 -6.530 -0.431
251 HA LYS 31 HA LYS 31 12.062 -8.048 -2.943
252 HB2 LYS 31 HB2 LYS 31 13.845 -8.677 -1.345
253 HB3 LYS 31 HB1 LYS 31 12.615 -9.098 -0.161
254 HG2 LYS 31 HG2 LYS 31 13.522 -11.065 -1.305
255 HG3 LYS 31 HG1 LYS 31 11.792 -10.867 -1.592
256 HD2 LYS 31 HD2 LYS 31 12.283 -9.829 -3.763
257 HD3 LYS 31 HD1 LYS 31 14.006 -10.065 -3.477
258 HE2 LYS 31 HE2 LYS 31 13.703 -12.463 -3.447
259 HE3 LYS 31 HE1 LYS 31 11.959 -12.274 -3.612
260 HZ1 LYS 31 HZ1 LYS 31 13.034 -12.814 -5.722
261 HZ2 LYS 31 HZ2 LYS 31 13.966 -11.409 -5.623
262 HZ3 LYS 31 HZ3 LYS 31 12.288 -11.300 -5.781
263 HN1 NH2 32 HN1 NH2 32 10.781 -8.813 0.260
264 HN2 NH2 32 HN2 NH2 32 9.170 -9.156 -0.274