Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
611876 | 5tcz RC | 30181 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H1 GLY 1 2.613 1.113 -0.262
2 H2 GLY 1 H2 GLY 1 1.700 0.810 -1.612
3 H3 GLY 1 H3 GLY 1 1.394 -0.000 -0.204
4 HA2 GLY 1 HA2 GLY 1 3.790 -0.248 -1.878
5 HA3 GLY 1 HA3 GLY 1 3.548 -1.056 -0.314
6 HA PRO 2 HA PRO 2 2.106 -3.929 -3.658
7 HB2 PRO 2 HB2 PRO 2 2.990 -6.262 -2.436
8 HB3 PRO 2 HB3 PRO 2 4.000 -5.202 -3.452
9 HG2 PRO 2 HG2 PRO 2 3.758 -5.222 -0.430
10 HG3 PRO 2 HG3 PRO 2 5.254 -5.224 -1.421
11 HD2 PRO 2 HD2 PRO 2 4.297 -2.935 -0.384
12 HD3 PRO 2 HD3 PRO 2 4.920 -2.960 -2.058
13 H TYR 3 H TYR 3 1.011 -3.534 -0.435
14 HA TYR 3 HA TYR 3 -1.379 -5.032 -1.102
15 HB2 TYR 3 HB2 TYR 3 -1.363 -6.160 1.235
16 HB3 TYR 3 HB3 TYR 3 -0.688 -6.884 -0.208
17 HD1 TYR 3 HD1 TYR 3 1.611 -7.456 -0.397
18 HD2 TYR 3 HD2 TYR 3 0.234 -5.079 2.933
19 HE1 TYR 3 HE1 TYR 3 3.767 -7.860 0.790
20 HE2 TYR 3 HE2 TYR 3 2.414 -5.439 4.084
21 HH TYR 3 HH TYR 3 4.634 -6.167 3.752
22 H CYS 4 H CYS 4 -2.787 -3.571 -1.134
23 HA CYS 4 HA CYS 4 -3.449 -2.078 1.318
24 HB2 CYS 4 HB2 CYS 4 -3.321 0.082 -0.031
25 HB3 CYS 4 HB3 CYS 4 -1.833 -0.593 0.584
26 H GLN 5 H GLN 5 -4.257 -1.573 -2.173
27 HA GLN 5 HA GLN 5 -7.013 -1.134 -1.638
28 HB2 GLN 5 HB2 GLN 5 -5.951 -0.283 -3.597
29 HB3 GLN 5 HB3 GLN 5 -5.542 -1.883 -4.190
30 HG2 GLN 5 HG2 GLN 5 -8.467 -1.316 -3.715
31 HG3 GLN 5 HG3 GLN 5 -7.697 -0.395 -4.986
32 HE21 GLN 5 HE21 GLN 5 -6.039 -2.183 -6.422
33 HE22 GLN 5 HE22 GLN 5 -7.041 -3.523 -6.905
34 H LYS 6 H LYS 6 -5.658 -4.089 -3.250
35 HA LYS 6 HA LYS 6 -7.925 -5.669 -2.315
36 HB2 LYS 6 HB2 LYS 6 -6.773 -5.937 -4.542
37 HB3 LYS 6 HB3 LYS 6 -5.452 -6.752 -3.691
38 HG2 LYS 6 HG2 LYS 6 -6.930 -8.562 -3.000
39 HG3 LYS 6 HG3 LYS 6 -8.364 -7.611 -3.379
40 HD2 LYS 6 HD2 LYS 6 -8.141 -9.263 -5.087
41 HD3 LYS 6 HD3 LYS 6 -7.772 -7.693 -5.799
42 HE2 LYS 6 HE2 LYS 6 -6.126 -9.130 -6.660
43 HE3 LYS 6 HE3 LYS 6 -5.292 -8.253 -5.368
44 HZ1 LYS 6 HZ1 LYS 6 -6.452 -10.977 -5.196
45 HZ2 LYS 6 HZ2 LYS 6 -5.687 -10.240 -3.935
46 HZ3 LYS 6 HZ3 LYS 6 -4.864 -10.653 -5.311
47 H TRP 7 H TRP 7 -6.531 -4.461 -0.215
48 HA TRP 7 HA TRP 7 -6.550 -6.836 1.488
49 HB2 TRP 7 HB2 TRP 7 -4.120 -6.419 0.935
50 HB3 TRP 7 HB3 TRP 7 -4.259 -4.870 1.747
51 HD1 TRP 7 HD1 TRP 7 -5.401 -8.396 2.967
52 HE1 TRP 7 HE1 TRP 7 -4.186 -8.952 5.179
53 HE3 TRP 7 HE3 TRP 7 -2.574 -4.154 3.455
54 HZ2 TRP 7 HZ2 TRP 7 -2.030 -7.870 6.714
55 HZ3 TRP 7 HZ3 TRP 7 -0.927 -3.954 5.302
56 HH2 TRP 7 HH2 TRP 7 -0.638 -5.804 6.932
57 H MET 8 H MET 8 -7.859 -4.010 0.747
58 HA MET 8 HA MET 8 -9.272 -2.606 1.725
59 HB2 MET 8 HB2 MET 8 -9.572 -5.031 3.474
60 HB3 MET 8 HB3 MET 8 -10.616 -3.622 3.684
61 HG2 MET 8 HG2 MET 8 -11.437 -3.712 1.478
62 HG3 MET 8 HG3 MET 8 -10.181 -4.821 0.933
63 HE1 MET 8 HE1 MET 8 -11.274 -8.274 2.281
64 HE2 MET 8 HE2 MET 8 -10.120 -7.379 1.272
65 HE3 MET 8 HE3 MET 8 -10.113 -7.171 3.039
66 H GLN 9 H GLN 9 -7.087 -1.627 2.022
67 HA GLN 9 HA GLN 9 -5.885 -0.966 4.369
68 HB2 GLN 9 HB2 GLN 9 -4.887 0.866 3.052
69 HB3 GLN 9 HB3 GLN 9 -4.940 -0.644 2.194
70 HG2 GLN 9 HG2 GLN 9 -6.903 0.094 0.867
71 HG3 GLN 9 HG3 GLN 9 -6.995 1.586 1.801
72 HE21 GLN 9 HE21 GLN 9 -4.083 2.144 1.814
73 HE22 GLN 9 HE22 GLN 9 -3.750 2.674 0.185
74 H THR 10 H THR 10 -8.459 -0.561 5.359
75 HA THR 10 HA THR 10 -9.508 0.929 6.849
76 HB THR 10 HB THR 10 -6.589 1.269 7.561
77 HG1 THR 10 HG1 THR 10 -6.621 -0.798 8.247
78 HG21 THR 10 HG21 THR 10 -9.146 0.771 9.167
79 HG22 THR 10 HG22 THR 10 -8.223 2.286 9.124
80 HG23 THR 10 HG23 THR 10 -7.504 0.842 9.846
81 H CYS 11 H CYS 11 -10.088 2.654 5.020
82 HA CYS 11 HA CYS 11 -8.069 4.684 4.758
83 HB2 CYS 11 HB2 CYS 11 -9.332 3.677 2.915
84 HB3 CYS 11 HB3 CYS 11 -10.733 4.654 3.372
85 H ASP 12 H ASP 12 -8.055 6.782 5.025
86 HA ASP 12 HA ASP 12 -9.898 8.231 6.831
87 HB2 ASP 12 HB2 ASP 12 -6.868 7.995 7.146
88 HB3 ASP 12 HB3 ASP 12 -7.941 8.970 8.136
89 H SER 13 H SER 13 -9.169 10.680 6.723
90 HA SER 13 HA SER 13 -8.551 11.493 4.010
91 HB2 SER 13 HB2 SER 13 -10.066 12.822 5.361
92 HB3 SER 13 HB3 SER 13 -8.804 13.114 6.560
93 HG SER 13 HG SER 13 -7.587 13.988 4.700
94 H GLU 14 H GLU 14 -6.481 10.056 5.722
95 HA GLU 14 HA GLU 14 -4.079 11.661 4.982
96 HB2 GLU 14 HB2 GLU 14 -3.049 10.977 7.086
97 HB3 GLU 14 HB3 GLU 14 -4.476 11.952 7.376
98 HG2 GLU 14 HG2 GLU 14 -5.816 10.007 7.935
99 HG3 GLU 14 HG3 GLU 14 -4.493 8.913 7.529
100 H ARG 15 H ARG 15 -5.784 8.964 4.268
101 HA ARG 15 HA ARG 15 -3.556 7.041 4.491
102 HB2 ARG 15 HB2 ARG 15 -6.086 6.672 5.158
103 HB3 ARG 15 HB3 ARG 15 -6.279 6.230 3.461
104 HG2 ARG 15 HG2 ARG 15 -4.139 5.061 5.311
105 HG3 ARG 15 HG3 ARG 15 -5.764 4.381 5.197
106 HD2 ARG 15 HD2 ARG 15 -5.449 3.421 3.170
107 HD3 ARG 15 HD3 ARG 15 -4.453 4.734 2.545
108 HE ARG 15 HE ARG 15 -2.590 3.420 3.077
109 HH11 ARG 15 HH11 ARG 15 -5.164 2.338 5.221
110 HH12 ARG 15 HH12 ARG 15 -3.989 1.569 6.285
111 HH21 ARG 15 HH21 ARG 15 -1.215 2.307 4.535
112 HH22 ARG 15 HH22 ARG 15 -2.007 1.374 5.793
113 H LYS 16 H LYS 16 -2.470 6.306 2.931
114 HA LYS 16 HA LYS 16 -2.417 7.468 0.299
115 HB2 LYS 16 HB2 LYS 16 -0.762 5.348 1.721
116 HB3 LYS 16 HB3 LYS 16 -0.427 5.899 0.091
117 HG2 LYS 16 HG2 LYS 16 1.020 7.049 1.630
118 HG3 LYS 16 HG3 LYS 16 -0.098 8.216 0.922
119 HD2 LYS 16 HD2 LYS 16 -1.376 8.345 2.968
120 HD3 LYS 16 HD3 LYS 16 -0.494 6.964 3.678
121 HE2 LYS 16 HE2 LYS 16 1.555 8.412 3.680
122 HE3 LYS 16 HE3 LYS 16 0.576 9.724 3.001
123 HZ1 LYS 16 HZ1 LYS 16 0.656 10.013 5.325
124 HZ2 LYS 16 HZ2 LYS 16 0.234 8.476 5.674
125 HZ3 LYS 16 HZ3 LYS 16 -0.878 9.495 5.009
126 H CYS 17 H CYS 17 -4.679 6.769 -0.057
127 HA CYS 17 HA CYS 17 -5.554 4.115 -0.433
128 HB2 CYS 17 HB2 CYS 17 -6.962 6.126 -0.078
129 HB3 CYS 17 HB3 CYS 17 -6.537 6.694 -1.687
130 H CYS 18 H CYS 18 -4.676 2.682 -1.878
131 HA CYS 18 HA CYS 18 -2.772 3.570 -3.768
132 HB2 CYS 18 HB2 CYS 18 -4.042 0.889 -3.176
133 HB3 CYS 18 HB3 CYS 18 -2.781 1.082 -4.395
134 H GLU 19 H GLU 19 -6.149 3.183 -4.282
135 HA GLU 19 HA GLU 19 -5.743 3.605 -7.209
136 HB2 GLU 19 HB2 GLU 19 -7.772 1.792 -5.848
137 HB3 GLU 19 HB3 GLU 19 -7.833 2.228 -7.554
138 HG2 GLU 19 HG2 GLU 19 -5.632 0.634 -6.210
139 HG3 GLU 19 HG3 GLU 19 -6.911 0.007 -7.245
140 H GLY 20 H GLY 20 -6.643 5.229 -4.606
141 HA2 GLY 20 HA2 GLY 20 -7.912 7.074 -4.197
142 HA3 GLY 20 HA3 GLY 20 -8.020 7.256 -5.951
143 H MET 21 H MET 21 -9.483 4.395 -4.676
144 HA MET 21 HA MET 21 -12.161 5.473 -5.367
145 HB2 MET 21 HB2 MET 21 -12.712 3.120 -5.966
146 HB3 MET 21 HB3 MET 21 -11.481 3.895 -6.962
147 HG2 MET 21 HG2 MET 21 -9.707 2.736 -5.709
148 HG3 MET 21 HG3 MET 21 -10.907 1.942 -4.701
149 HE1 MET 21 HE1 MET 21 -9.738 2.499 -8.392
150 HE2 MET 21 HE2 MET 21 -10.300 1.026 -9.214
151 HE3 MET 21 HE3 MET 21 -11.457 2.276 -8.715
152 H VAL 22 H VAL 22 -13.644 5.627 -3.913
153 HA VAL 22 HA VAL 22 -14.789 5.516 -1.991
154 HB VAL 22 HB VAL 22 -14.507 2.517 -2.135
155 HG11 VAL 22 HG11 VAL 22 -16.904 2.653 -1.441
156 HG12 VAL 22 HG12 VAL 22 -15.813 3.331 -0.236
157 HG13 VAL 22 HG13 VAL 22 -16.752 4.408 -1.295
158 HG21 VAL 22 HG21 VAL 22 -16.360 4.251 -3.803
159 HG22 VAL 22 HG22 VAL 22 -14.968 3.352 -4.438
160 HG23 VAL 22 HG23 VAL 22 -16.309 2.468 -3.720
161 H CYS 23 H CYS 23 -12.938 6.575 -0.872
162 HA CYS 23 HA CYS 23 -11.568 5.060 1.165
163 HB2 CYS 23 HB2 CYS 23 -10.760 7.171 0.148
164 HB3 CYS 23 HB3 CYS 23 -12.070 8.037 0.947
165 H ARG 24 H ARG 24 -13.816 3.992 1.590
166 HA ARG 24 HA ARG 24 -14.882 5.121 4.134
167 HB2 ARG 24 HB2 ARG 24 -16.550 3.911 1.889
168 HB3 ARG 24 HB3 ARG 24 -17.047 3.879 3.568
169 HG2 ARG 24 HG2 ARG 24 -18.138 5.767 2.886
170 HG3 ARG 24 HG3 ARG 24 -16.655 6.462 3.571
171 HD2 ARG 24 HD2 ARG 24 -15.700 6.488 1.204
172 HD3 ARG 24 HD3 ARG 24 -17.262 5.900 0.625
173 HE ARG 24 HE ARG 24 -17.098 8.350 2.337
174 HH11 ARG 24 HH11 ARG 24 -17.697 7.218 -1.001
175 HH12 ARG 24 HH12 ARG 24 -18.563 8.677 -1.339
176 HH21 ARG 24 HH21 ARG 24 -18.365 9.959 1.836
177 HH22 ARG 24 HH22 ARG 24 -18.785 10.249 0.146
178 H LEU 25 H LEU 25 -14.215 3.909 5.661
179 HA LEU 25 HA LEU 25 -13.174 2.298 6.844
180 HB2 LEU 25 HB2 LEU 25 -15.057 0.409 5.392
181 HB3 LEU 25 HB3 LEU 25 -14.177 0.095 6.876
182 HG LEU 25 HG LEU 25 -15.459 2.289 7.728
183 HD11 LEU 25 HD11 LEU 25 -16.686 2.761 5.628
184 HD12 LEU 25 HD12 LEU 25 -17.802 2.285 6.874
185 HD13 LEU 25 HD13 LEU 25 -17.338 1.115 5.610
186 HD21 LEU 25 HD21 LEU 25 -16.731 -0.462 7.489
187 HD22 LEU 25 HD22 LEU 25 -17.173 0.802 8.670
188 HD23 LEU 25 HD23 LEU 25 -15.578 0.054 8.739
189 H TRP 26 H TRP 26 -12.846 1.807 3.433
190 HA TRP 26 HA TRP 26 -10.141 0.741 3.658
191 HB2 TRP 26 HB2 TRP 26 -11.084 -1.142 1.910
192 HB3 TRP 26 HB3 TRP 26 -10.816 -1.342 3.615
193 HD1 TRP 26 HD1 TRP 26 -12.663 -2.267 4.987
194 HE1 TRP 26 HE1 TRP 26 -15.198 -2.557 4.796
195 HE3 TRP 26 HE3 TRP 26 -13.466 0.325 0.633
196 HZ2 TRP 26 HZ2 TRP 26 -17.293 -1.852 2.968
197 HZ3 TRP 26 HZ3 TRP 26 -15.745 0.505 -0.291
198 HH2 TRP 26 HH2 TRP 26 -17.672 -0.608 0.851
199 H CYS 27 H CYS 27 -9.989 -0.036 0.866
200 HA CYS 27 HA CYS 27 -11.207 2.142 -0.669
201 HB2 CYS 27 HB2 CYS 27 -8.264 1.439 -0.940
202 HB3 CYS 27 HB3 CYS 27 -9.219 2.308 -2.139
203 H LYS 28 H LYS 28 -12.293 1.304 -2.294
204 HA LYS 28 HA LYS 28 -11.804 -1.353 -3.495
205 HB2 LYS 28 HB2 LYS 28 -14.267 -0.678 -1.820
206 HB3 LYS 28 HB3 LYS 28 -14.173 -2.064 -2.882
207 HG2 LYS 28 HG2 LYS 28 -12.318 -1.692 -0.499
208 HG3 LYS 28 HG3 LYS 28 -13.856 -2.512 -0.408
209 HD2 LYS 28 HD2 LYS 28 -11.844 -3.409 -2.485
210 HD3 LYS 28 HD3 LYS 28 -11.618 -3.876 -0.816
211 HE2 LYS 28 HE2 LYS 28 -14.163 -4.415 -2.415
212 HE3 LYS 28 HE3 LYS 28 -12.841 -5.556 -2.198
213 HZ1 LYS 28 HZ1 LYS 28 -13.222 -5.452 0.214
214 HZ2 LYS 28 HZ2 LYS 28 -14.488 -6.058 -0.592
215 HZ3 LYS 28 HZ3 LYS 28 -14.552 -4.516 -0.007
216 H LYS 29 H LYS 29 -13.260 -1.664 -5.437
217 HA LYS 29 HA LYS 29 -13.708 0.944 -6.673
218 HB2 LYS 29 HB2 LYS 29 -12.770 -1.204 -7.799
219 HB3 LYS 29 HB3 LYS 29 -14.465 -1.683 -7.966
220 HG2 LYS 29 HG2 LYS 29 -14.827 0.660 -9.066
221 HG3 LYS 29 HG3 LYS 29 -13.078 0.813 -9.046
222 HD2 LYS 29 HD2 LYS 29 -13.561 0.052 -11.209
223 HD3 LYS 29 HD3 LYS 29 -13.033 -1.416 -10.379
224 HE2 LYS 29 HE2 LYS 29 -15.436 -1.991 -9.931
225 HE3 LYS 29 HE3 LYS 29 -15.919 -0.484 -10.728
226 HZ1 LYS 29 HZ1 LYS 29 -14.856 -1.347 -12.773
227 HZ2 LYS 29 HZ2 LYS 29 -16.112 -2.274 -12.264
228 HZ3 LYS 29 HZ3 LYS 29 -14.575 -2.780 -12.016
229 H LYS 30 H LYS 30 -15.528 2.039 -6.982
230 HA LYS 30 HA LYS 30 -18.144 0.693 -7.376
231 HB2 LYS 30 HB2 LYS 30 -18.141 1.341 -4.969
232 HB3 LYS 30 HB3 LYS 30 -17.704 2.981 -5.432
233 HG2 LYS 30 HG2 LYS 30 -19.927 2.981 -6.801
234 HG3 LYS 30 HG3 LYS 30 -20.358 1.589 -5.809
235 HD2 LYS 30 HD2 LYS 30 -19.575 4.385 -4.857
236 HD3 LYS 30 HD3 LYS 30 -21.205 3.736 -4.884
237 HE2 LYS 30 HE2 LYS 30 -18.896 2.719 -3.155
238 HE3 LYS 30 HE3 LYS 30 -20.179 3.810 -2.628
239 HZ1 LYS 30 HZ1 LYS 30 -20.535 0.992 -3.477
240 HZ2 LYS 30 HZ2 LYS 30 -21.774 2.037 -3.230
241 HZ3 LYS 30 HZ3 LYS 30 -20.772 1.650 -1.981
242 H LEU 31 H LEU 31 -18.119 1.208 -9.541
243 HA LEU 31 HA LEU 31 -18.118 4.024 -10.397
244 HB2 LEU 31 HB2 LEU 31 -15.773 3.628 -10.163
245 HB3 LEU 31 HB3 LEU 31 -15.853 2.081 -10.983
246 HG LEU 31 HG LEU 31 -16.713 4.467 -12.595
247 HD11 LEU 31 HD11 LEU 31 -13.795 3.944 -11.926
248 HD12 LEU 31 HD12 LEU 31 -14.743 5.359 -11.419
249 HD13 LEU 31 HD13 LEU 31 -14.414 5.081 -13.136
250 HD21 LEU 31 HD21 LEU 31 -14.806 2.157 -13.215
251 HD22 LEU 31 HD22 LEU 31 -15.520 3.284 -14.375
252 HD23 LEU 31 HD23 LEU 31 -16.541 2.101 -13.532
253 H LEU 32 H LEU 32 -19.109 4.411 -12.332
254 HA LEU 32 HA LEU 32 -20.277 2.112 -13.842
255 HB2 LEU 32 HB2 LEU 32 -21.519 3.797 -15.016
256 HB3 LEU 32 HB3 LEU 32 -21.536 4.230 -13.312
257 HG LEU 32 HG LEU 32 -19.321 5.676 -14.100
258 HD11 LEU 32 HD11 LEU 32 -21.182 5.708 -16.535
259 HD12 LEU 32 HD12 LEU 32 -19.558 5.008 -16.537
260 HD13 LEU 32 HD13 LEU 32 -19.762 6.738 -16.277
261 HD21 LEU 32 HD21 LEU 32 -22.215 6.565 -14.451
262 HD22 LEU 32 HD22 LEU 32 -20.798 7.624 -14.262
263 HD23 LEU 32 HD23 LEU 32 -21.301 6.571 -12.928
Start of MODEL 2
1 H1 GLY 1 H1 GLY 1 4.898 -2.861 -4.928
2 H2 GLY 1 H2 GLY 1 4.278 -4.186 -4.174
3 H3 GLY 1 H3 GLY 1 3.290 -3.191 -5.032
4 HA2 GLY 1 HA2 GLY 1 4.766 -2.348 -2.642
5 HA3 GLY 1 HA3 GLY 1 3.513 -1.424 -3.503
6 HA PRO 2 HA PRO 2 1.836 -4.075 -0.001
7 HB2 PRO 2 HB2 PRO 2 0.844 -2.169 1.672
8 HB3 PRO 2 HB3 PRO 2 2.589 -2.589 1.592
9 HG2 PRO 2 HG2 PRO 2 1.188 -0.295 0.169
10 HG3 PRO 2 HG3 PRO 2 2.643 -0.217 1.214
11 HD2 PRO 2 HD2 PRO 2 2.868 -0.401 -1.484
12 HD3 PRO 2 HD3 PRO 2 3.982 -1.292 -0.398
13 H TYR 3 H TYR 3 -0.188 -4.960 -0.094
14 HA TYR 3 HA TYR 3 -2.122 -3.860 -1.835
15 HB2 TYR 3 HB2 TYR 3 -2.283 -6.178 0.066
16 HB3 TYR 3 HB3 TYR 3 -3.646 -5.646 -0.901
17 HD1 TYR 3 HD1 TYR 3 -0.963 -7.897 -0.885
18 HD2 TYR 3 HD2 TYR 3 -3.123 -5.241 -3.514
19 HE1 TYR 3 HE1 TYR 3 -0.340 -9.304 -2.831
20 HE2 TYR 3 HE2 TYR 3 -2.487 -6.636 -5.449
21 HH TYR 3 HH TYR 3 -1.454 -8.527 -6.165
22 H CYS 4 H CYS 4 -3.854 -2.693 -1.720
23 HA CYS 4 HA CYS 4 -5.092 -2.002 0.876
24 HB2 CYS 4 HB2 CYS 4 -4.812 0.464 0.065
25 HB3 CYS 4 HB3 CYS 4 -3.522 -0.365 0.902
26 H GLN 5 H GLN 5 -5.443 -2.027 -2.615
27 HA GLN 5 HA GLN 5 -8.353 -1.508 -2.360
28 HB2 GLN 5 HB2 GLN 5 -7.624 -0.421 -4.197
29 HB3 GLN 5 HB3 GLN 5 -6.335 -1.550 -4.568
30 HG2 GLN 5 HG2 GLN 5 -9.223 -2.350 -5.017
31 HG3 GLN 5 HG3 GLN 5 -8.402 -1.280 -6.142
32 HE21 GLN 5 HE21 GLN 5 -6.099 -2.098 -6.915
33 HE22 GLN 5 HE22 GLN 5 -6.035 -3.847 -7.188
34 H LYS 6 H LYS 6 -6.064 -4.120 -2.986
35 HA LYS 6 HA LYS 6 -8.117 -6.158 -3.132
36 HB2 LYS 6 HB2 LYS 6 -5.753 -6.012 -4.243
37 HB3 LYS 6 HB3 LYS 6 -5.158 -6.655 -2.701
38 HG2 LYS 6 HG2 LYS 6 -6.584 -8.646 -2.981
39 HG3 LYS 6 HG3 LYS 6 -7.315 -7.940 -4.427
40 HD2 LYS 6 HD2 LYS 6 -5.050 -7.943 -5.523
41 HD3 LYS 6 HD3 LYS 6 -4.401 -8.797 -4.117
42 HE2 LYS 6 HE2 LYS 6 -6.738 -9.741 -5.839
43 HE3 LYS 6 HE3 LYS 6 -5.074 -10.303 -6.041
44 HZ1 LYS 6 HZ1 LYS 6 -5.152 -11.416 -3.990
45 HZ2 LYS 6 HZ2 LYS 6 -6.624 -11.709 -4.639
46 HZ3 LYS 6 HZ3 LYS 6 -6.494 -10.614 -3.458
47 H TRP 7 H TRP 7 -7.173 -4.463 -0.461
48 HA TRP 7 HA TRP 7 -7.439 -6.612 1.552
49 HB2 TRP 7 HB2 TRP 7 -5.081 -6.632 0.672
50 HB3 TRP 7 HB3 TRP 7 -4.918 -4.960 1.176
51 HD1 TRP 7 HD1 TRP 7 -4.662 -4.538 3.838
52 HE1 TRP 7 HE1 TRP 7 -3.917 -6.063 5.766
53 HE3 TRP 7 HE3 TRP 7 -5.403 -9.075 1.590
54 HZ2 TRP 7 HZ2 TRP 7 -3.478 -8.893 6.172
55 HZ3 TRP 7 HZ3 TRP 7 -4.864 -11.177 2.804
56 HH2 TRP 7 HH2 TRP 7 -3.901 -11.101 5.084
57 H MET 8 H MET 8 -7.873 -5.727 3.670
58 HA MET 8 HA MET 8 -9.070 -3.096 3.642
59 HB2 MET 8 HB2 MET 8 -8.580 -5.040 5.922
60 HB3 MET 8 HB3 MET 8 -9.505 -3.536 6.048
61 HG2 MET 8 HG2 MET 8 -11.052 -4.364 4.266
62 HG3 MET 8 HG3 MET 8 -10.175 -5.893 4.258
63 HE1 MET 8 HE1 MET 8 -13.340 -4.417 5.352
64 HE2 MET 8 HE2 MET 8 -13.436 -4.560 7.119
65 HE3 MET 8 HE3 MET 8 -12.309 -3.398 6.384
66 H GLN 9 H GLN 9 -7.352 -1.684 3.086
67 HA GLN 9 HA GLN 9 -5.073 -1.254 4.719
68 HB2 GLN 9 HB2 GLN 9 -4.676 0.686 3.432
69 HB3 GLN 9 HB3 GLN 9 -5.319 -0.549 2.370
70 HG2 GLN 9 HG2 GLN 9 -7.470 0.574 2.218
71 HG3 GLN 9 HG3 GLN 9 -7.008 1.721 3.476
72 HE21 GLN 9 HE21 GLN 9 -4.500 2.635 2.744
73 HE22 GLN 9 HE22 GLN 9 -4.607 3.408 1.177
74 H THR 10 H THR 10 -8.153 -0.643 5.808
75 HA THR 10 HA THR 10 -9.234 0.873 7.080
76 HB THR 10 HB THR 10 -6.724 1.479 8.589
77 HG1 THR 10 HG1 THR 10 -6.601 -0.544 8.780
78 HG21 THR 10 HG21 THR 10 -8.389 1.570 10.438
79 HG22 THR 10 HG22 THR 10 -9.685 1.112 9.323
80 HG23 THR 10 HG23 THR 10 -8.870 2.676 9.155
81 H CYS 11 H CYS 11 -9.349 1.969 5.030
82 HA CYS 11 HA CYS 11 -7.809 4.344 4.512
83 HB2 CYS 11 HB2 CYS 11 -9.095 2.779 2.879
84 HB3 CYS 11 HB3 CYS 11 -10.487 3.804 3.234
85 H ASP 12 H ASP 12 -7.942 5.315 6.565
86 HA ASP 12 HA ASP 12 -10.179 7.078 7.180
87 HB2 ASP 12 HB2 ASP 12 -7.290 6.898 8.064
88 HB3 ASP 12 HB3 ASP 12 -8.310 8.280 8.465
89 H SER 13 H SER 13 -10.392 9.278 6.669
90 HA SER 13 HA SER 13 -9.584 9.881 3.996
91 HB2 SER 13 HB2 SER 13 -11.777 10.395 4.932
92 HB3 SER 13 HB3 SER 13 -11.068 11.629 5.976
93 HG SER 13 HG SER 13 -10.273 12.612 4.024
94 H GLU 14 H GLU 14 -7.388 9.943 6.084
95 HA GLU 14 HA GLU 14 -6.019 12.421 5.091
96 HB2 GLU 14 HB2 GLU 14 -4.414 12.121 6.897
97 HB3 GLU 14 HB3 GLU 14 -6.039 12.348 7.529
98 HG2 GLU 14 HG2 GLU 14 -6.256 9.905 7.919
99 HG3 GLU 14 HG3 GLU 14 -4.644 9.647 7.253
100 H ARG 15 H ARG 15 -6.427 9.163 4.463
101 HA ARG 15 HA ARG 15 -3.599 8.492 4.087
102 HB2 ARG 15 HB2 ARG 15 -5.424 7.126 5.300
103 HB3 ARG 15 HB3 ARG 15 -5.995 6.667 3.688
104 HG2 ARG 15 HG2 ARG 15 -3.721 5.666 3.221
105 HG3 ARG 15 HG3 ARG 15 -3.184 6.225 4.810
106 HD2 ARG 15 HD2 ARG 15 -5.311 4.950 5.690
107 HD3 ARG 15 HD3 ARG 15 -5.225 4.089 4.119
108 HE ARG 15 HE ARG 15 -2.720 3.743 4.787
109 HH11 ARG 15 HH11 ARG 15 -5.404 3.494 7.017
110 HH12 ARG 15 HH12 ARG 15 -4.371 3.069 8.350
111 HH21 ARG 15 HH21 ARG 15 -1.492 2.914 6.623
112 HH22 ARG 15 HH22 ARG 15 -2.395 2.586 8.085
113 H LYS 16 H LYS 16 -2.681 7.735 2.277
114 HA LYS 16 HA LYS 16 -3.729 8.124 -0.392
115 HB2 LYS 16 HB2 LYS 16 -1.807 6.700 -1.079
116 HB3 LYS 16 HB3 LYS 16 -1.431 8.155 -0.165
117 HG2 LYS 16 HG2 LYS 16 -1.130 6.709 1.910
118 HG3 LYS 16 HG3 LYS 16 -1.361 5.292 0.891
119 HD2 LYS 16 HD2 LYS 16 1.018 5.745 1.309
120 HD3 LYS 16 HD3 LYS 16 0.623 5.818 -0.405
121 HE2 LYS 16 HE2 LYS 16 2.181 7.609 0.202
122 HE3 LYS 16 HE3 LYS 16 0.650 8.267 -0.368
123 HZ1 LYS 16 HZ1 LYS 16 0.033 8.568 2.039
124 HZ2 LYS 16 HZ2 LYS 16 1.313 9.462 1.585
125 HZ3 LYS 16 HZ3 LYS 16 1.543 8.098 2.460
126 H CYS 17 H CYS 17 -5.722 7.312 -0.523
127 HA CYS 17 HA CYS 17 -6.560 4.573 -0.224
128 HB2 CYS 17 HB2 CYS 17 -8.198 6.298 -0.646
129 HB3 CYS 17 HB3 CYS 17 -7.338 6.840 -2.085
130 H CYS 18 H CYS 18 -6.115 2.840 -1.450
131 HA CYS 18 HA CYS 18 -3.755 2.579 -2.636
132 HB2 CYS 18 HB2 CYS 18 -5.739 0.894 -2.051
133 HB3 CYS 18 HB3 CYS 18 -5.913 0.867 -3.802
134 H GLU 19 H GLU 19 -6.672 2.972 -4.760
135 HA GLU 19 HA GLU 19 -4.826 3.604 -7.040
136 HB2 GLU 19 HB2 GLU 19 -7.768 3.099 -7.360
137 HB3 GLU 19 HB3 GLU 19 -6.486 2.932 -8.530
138 HG2 GLU 19 HG2 GLU 19 -7.096 1.056 -6.209
139 HG3 GLU 19 HG3 GLU 19 -7.396 0.763 -7.914
140 H GLY 20 H GLY 20 -6.727 5.196 -4.768
141 HA2 GLY 20 HA2 GLY 20 -7.133 7.485 -4.626
142 HA3 GLY 20 HA3 GLY 20 -6.930 7.670 -6.368
143 H MET 21 H MET 21 -9.172 5.199 -5.216
144 HA MET 21 HA MET 21 -11.467 6.757 -6.148
145 HB2 MET 21 HB2 MET 21 -12.807 4.789 -5.618
146 HB3 MET 21 HB3 MET 21 -11.533 4.464 -6.759
147 HG2 MET 21 HG2 MET 21 -11.113 3.897 -3.819
148 HG3 MET 21 HG3 MET 21 -12.045 2.786 -4.810
149 HE1 MET 21 HE1 MET 21 -9.555 1.239 -7.296
150 HE2 MET 21 HE2 MET 21 -11.136 1.110 -6.514
151 HE3 MET 21 HE3 MET 21 -10.774 2.493 -7.581
152 H VAL 22 H VAL 22 -13.521 6.462 -4.584
153 HA VAL 22 HA VAL 22 -13.113 8.205 -2.372
154 HB VAL 22 HB VAL 22 -15.473 7.367 -1.698
155 HG11 VAL 22 HG11 VAL 22 -15.034 8.793 -4.341
156 HG12 VAL 22 HG12 VAL 22 -16.472 8.891 -3.294
157 HG13 VAL 22 HG13 VAL 22 -14.925 9.527 -2.727
158 HG21 VAL 22 HG21 VAL 22 -16.844 6.431 -3.434
159 HG22 VAL 22 HG22 VAL 22 -15.469 6.342 -4.556
160 HG23 VAL 22 HG23 VAL 22 -15.517 5.305 -3.107
161 H CYS 23 H CYS 23 -12.093 7.783 -0.666
162 HA CYS 23 HA CYS 23 -11.438 5.221 0.426
163 HB2 CYS 23 HB2 CYS 23 -10.085 7.297 0.293
164 HB3 CYS 23 HB3 CYS 23 -11.189 8.097 1.391
165 H ARG 24 H ARG 24 -12.806 3.954 1.673
166 HA ARG 24 HA ARG 24 -14.135 5.160 4.054
167 HB2 ARG 24 HB2 ARG 24 -15.676 3.489 2.011
168 HB3 ARG 24 HB3 ARG 24 -16.169 3.750 3.666
169 HG2 ARG 24 HG2 ARG 24 -17.437 5.358 2.799
170 HG3 ARG 24 HG3 ARG 24 -15.976 6.339 3.026
171 HD2 ARG 24 HD2 ARG 24 -15.326 5.796 0.640
172 HD3 ARG 24 HD3 ARG 24 -16.776 4.800 0.491
173 HE ARG 24 HE ARG 24 -18.141 6.699 0.493
174 HH11 ARG 24 HH11 ARG 24 -14.889 7.755 1.471
175 HH12 ARG 24 HH12 ARG 24 -15.189 9.369 0.873
176 HH21 ARG 24 HH21 ARG 24 -18.395 8.786 -0.101
177 HH22 ARG 24 HH22 ARG 24 -17.095 9.964 0.114
178 H LEU 25 H LEU 25 -12.471 4.087 5.183
179 HA LEU 25 HA LEU 25 -11.366 2.451 6.280
180 HB2 LEU 25 HB2 LEU 25 -13.888 0.809 5.963
181 HB3 LEU 25 HB3 LEU 25 -12.574 0.483 7.082
182 HG LEU 25 HG LEU 25 -14.355 2.962 7.147
183 HD11 LEU 25 HD11 LEU 25 -14.256 0.470 8.882
184 HD12 LEU 25 HD12 LEU 25 -15.555 0.934 7.770
185 HD13 LEU 25 HD13 LEU 25 -15.242 1.907 9.219
186 HD21 LEU 25 HD21 LEU 25 -13.313 3.296 9.406
187 HD22 LEU 25 HD22 LEU 25 -12.161 3.504 8.095
188 HD23 LEU 25 HD23 LEU 25 -12.158 1.997 9.040
189 H TRP 26 H TRP 26 -12.434 1.571 3.130
190 HA TRP 26 HA TRP 26 -9.830 0.304 2.639
191 HB2 TRP 26 HB2 TRP 26 -11.253 -1.408 1.193
192 HB3 TRP 26 HB3 TRP 26 -10.868 -1.681 2.863
193 HD1 TRP 26 HD1 TRP 26 -12.729 -2.162 4.474
194 HE1 TRP 26 HE1 TRP 26 -15.291 -2.078 4.504
195 HE3 TRP 26 HE3 TRP 26 -13.498 0.451 0.135
196 HZ2 TRP 26 HZ2 TRP 26 -17.390 -1.037 2.851
197 HZ3 TRP 26 HZ3 TRP 26 -15.780 1.100 -0.532
198 HH2 TRP 26 HH2 TRP 26 -17.740 0.388 0.823
199 H CYS 27 H CYS 27 -9.579 -0.032 0.215
200 HA CYS 27 HA CYS 27 -11.365 1.703 -1.405
201 HB2 CYS 27 HB2 CYS 27 -8.359 1.587 -1.484
202 HB3 CYS 27 HB3 CYS 27 -9.315 1.992 -2.916
203 H LYS 28 H LYS 28 -12.013 -0.682 -0.680
204 HA LYS 28 HA LYS 28 -11.244 -3.038 -1.700
205 HB2 LYS 28 HB2 LYS 28 -12.943 -2.625 0.012
206 HB3 LYS 28 HB3 LYS 28 -14.101 -2.090 -1.201
207 HG2 LYS 28 HG2 LYS 28 -14.182 -4.325 -2.163
208 HG3 LYS 28 HG3 LYS 28 -12.869 -4.858 -1.106
209 HD2 LYS 28 HD2 LYS 28 -14.373 -4.288 0.879
210 HD3 LYS 28 HD3 LYS 28 -15.697 -4.111 -0.277
211 HE2 LYS 28 HE2 LYS 28 -13.987 -6.611 0.164
212 HE3 LYS 28 HE3 LYS 28 -15.615 -6.355 0.796
213 HZ1 LYS 28 HZ1 LYS 28 -15.720 -7.679 -1.181
214 HZ2 LYS 28 HZ2 LYS 28 -14.879 -6.603 -2.074
215 HZ3 LYS 28 HZ3 LYS 28 -16.404 -6.248 -1.533
216 H LYS 29 H LYS 29 -13.955 -1.361 -3.296
217 HA LYS 29 HA LYS 29 -12.256 -0.613 -5.321
218 HB2 LYS 29 HB2 LYS 29 -13.164 -3.128 -6.098
219 HB3 LYS 29 HB3 LYS 29 -14.383 -2.091 -6.832
220 HG2 LYS 29 HG2 LYS 29 -12.453 -0.679 -7.770
221 HG3 LYS 29 HG3 LYS 29 -11.351 -1.921 -7.173
222 HD2 LYS 29 HD2 LYS 29 -13.529 -2.199 -9.277
223 HD3 LYS 29 HD3 LYS 29 -11.802 -2.245 -9.549
224 HE2 LYS 29 HE2 LYS 29 -13.468 -4.329 -8.093
225 HE3 LYS 29 HE3 LYS 29 -12.743 -4.469 -9.690
226 HZ1 LYS 29 HZ1 LYS 29 -10.533 -4.150 -8.500
227 HZ2 LYS 29 HZ2 LYS 29 -11.320 -5.596 -8.226
228 HZ3 LYS 29 HZ3 LYS 29 -11.314 -4.439 -7.091
229 H LYS 30 H LYS 30 -13.146 1.103 -6.533
230 HA LYS 30 HA LYS 30 -15.989 1.435 -6.888
231 HB2 LYS 30 HB2 LYS 30 -15.541 2.367 -4.518
232 HB3 LYS 30 HB3 LYS 30 -14.731 3.708 -5.288
233 HG2 LYS 30 HG2 LYS 30 -17.611 2.834 -5.795
234 HG3 LYS 30 HG3 LYS 30 -17.101 4.069 -4.647
235 HD2 LYS 30 HD2 LYS 30 -16.310 5.505 -6.510
236 HD3 LYS 30 HD3 LYS 30 -16.801 4.257 -7.665
237 HE2 LYS 30 HE2 LYS 30 -18.486 5.966 -7.606
238 HE3 LYS 30 HE3 LYS 30 -19.114 4.428 -7.024
239 HZ1 LYS 30 HZ1 LYS 30 -18.882 5.278 -4.735
240 HZ2 LYS 30 HZ2 LYS 30 -19.895 6.153 -5.658
241 HZ3 LYS 30 HZ3 LYS 30 -18.424 6.778 -5.339
242 H LEU 31 H LEU 31 -14.793 1.062 -8.960
243 HA LEU 31 HA LEU 31 -14.773 3.588 -10.348
244 HB2 LEU 31 HB2 LEU 31 -12.407 3.383 -9.615
245 HB3 LEU 31 HB3 LEU 31 -12.268 1.864 -10.474
246 HG LEU 31 HG LEU 31 -11.232 3.810 -11.591
247 HD11 LEU 31 HD11 LEU 31 -11.884 3.369 -13.824
248 HD12 LEU 31 HD12 LEU 31 -13.467 2.765 -13.337
249 HD13 LEU 31 HD13 LEU 31 -12.012 1.850 -12.920
250 HD21 LEU 31 HD21 LEU 31 -12.510 5.518 -12.708
251 HD22 LEU 31 HD22 LEU 31 -12.877 5.547 -10.980
252 HD23 LEU 31 HD23 LEU 31 -14.039 4.840 -12.128
253 H LEU 32 H LEU 32 -16.139 3.193 -11.993
254 HA LEU 32 HA LEU 32 -17.119 0.651 -12.596
255 HB2 LEU 32 HB2 LEU 32 -18.424 1.690 -14.241
256 HB3 LEU 32 HB3 LEU 32 -18.151 2.904 -13.013
257 HG LEU 32 HG LEU 32 -18.037 4.040 -15.004
258 HD11 LEU 32 HD11 LEU 32 -16.129 4.690 -13.585
259 HD12 LEU 32 HD12 LEU 32 -15.888 5.009 -15.299
260 HD13 LEU 32 HD13 LEU 32 -15.074 3.635 -14.559
261 HD21 LEU 32 HD21 LEU 32 -17.883 2.109 -16.548
262 HD22 LEU 32 HD22 LEU 32 -16.122 2.122 -16.368
263 HD23 LEU 32 HD23 LEU 32 -16.951 3.520 -17.037
Start of MODEL 3
1 H1 GLY 1 H1 GLY 1 0.346 -4.671 6.003
2 H2 GLY 1 H2 GLY 1 1.669 -5.089 5.123
3 H3 GLY 1 H3 GLY 1 0.763 -3.803 4.657
4 HA2 GLY 1 HA2 GLY 1 -0.112 -6.617 4.682
5 HA3 GLY 1 HA3 GLY 1 -1.114 -5.229 4.192
6 HA PRO 2 HA PRO 2 2.078 -6.760 0.836
7 HB2 PRO 2 HB2 PRO 2 0.822 -8.844 -0.450
8 HB3 PRO 2 HB3 PRO 2 1.871 -9.041 0.985
9 HG2 PRO 2 HG2 PRO 2 -1.160 -8.839 0.946
10 HG3 PRO 2 HG3 PRO 2 -0.146 -10.085 1.739
11 HD2 PRO 2 HD2 PRO 2 -1.078 -7.970 3.128
12 HD3 PRO 2 HD3 PRO 2 0.587 -8.561 3.395
13 H TYR 3 H TYR 3 -1.318 -6.099 0.850
14 HA TYR 3 HA TYR 3 -1.100 -4.618 -1.694
15 HB2 TYR 3 HB2 TYR 3 -3.404 -6.455 -0.966
16 HB3 TYR 3 HB3 TYR 3 -3.409 -5.309 -2.299
17 HD1 TYR 3 HD1 TYR 3 -2.168 -8.554 -1.085
18 HD2 TYR 3 HD2 TYR 3 -1.962 -5.682 -4.291
19 HE1 TYR 3 HE1 TYR 3 -0.861 -10.164 -2.452
20 HE2 TYR 3 HE2 TYR 3 -0.683 -7.301 -5.662
21 HH TYR 3 HH TYR 3 0.506 -9.285 -5.609
22 H CYS 4 H CYS 4 -3.097 -3.029 -1.837
23 HA CYS 4 HA CYS 4 -3.709 -2.039 0.904
24 HB2 CYS 4 HB2 CYS 4 -3.681 0.302 -0.242
25 HB3 CYS 4 HB3 CYS 4 -2.307 -0.423 0.530
26 H GLN 5 H GLN 5 -4.897 -1.335 -2.408
27 HA GLN 5 HA GLN 5 -7.573 -0.872 -1.592
28 HB2 GLN 5 HB2 GLN 5 -7.281 -0.052 -3.627
29 HB3 GLN 5 HB3 GLN 5 -6.079 -1.226 -4.112
30 HG2 GLN 5 HG2 GLN 5 -9.008 -1.993 -4.024
31 HG3 GLN 5 HG3 GLN 5 -8.359 -1.059 -5.363
32 HE21 GLN 5 HE21 GLN 5 -5.821 -2.333 -5.835
33 HE22 GLN 5 HE22 GLN 5 -6.194 -3.980 -6.283
34 H LYS 6 H LYS 6 -6.242 -3.832 -3.058
35 HA LYS 6 HA LYS 6 -8.497 -5.473 -2.468
36 HB2 LYS 6 HB2 LYS 6 -6.455 -5.648 -4.202
37 HB3 LYS 6 HB3 LYS 6 -5.750 -6.639 -2.920
38 HG2 LYS 6 HG2 LYS 6 -7.883 -8.034 -2.976
39 HG3 LYS 6 HG3 LYS 6 -8.429 -7.045 -4.334
40 HD2 LYS 6 HD2 LYS 6 -6.349 -7.722 -5.596
41 HD3 LYS 6 HD3 LYS 6 -5.926 -8.790 -4.255
42 HE2 LYS 6 HE2 LYS 6 -8.403 -8.969 -6.031
43 HE3 LYS 6 HE3 LYS 6 -6.998 -10.032 -6.074
44 HZ1 LYS 6 HZ1 LYS 6 -8.908 -9.811 -3.813
45 HZ2 LYS 6 HZ2 LYS 6 -7.538 -10.704 -3.778
46 HZ3 LYS 6 HZ3 LYS 6 -8.734 -11.087 -4.844
47 H TRP 7 H TRP 7 -6.771 -4.157 -0.128
48 HA TRP 7 HA TRP 7 -6.623 -6.578 1.631
49 HB2 TRP 7 HB2 TRP 7 -4.453 -5.856 0.796
50 HB3 TRP 7 HB3 TRP 7 -4.745 -4.223 1.366
51 HD1 TRP 7 HD1 TRP 7 -4.251 -3.718 3.897
52 HE1 TRP 7 HE1 TRP 7 -3.255 -5.050 5.858
53 HE3 TRP 7 HE3 TRP 7 -4.311 -8.391 1.815
54 HZ2 TRP 7 HZ2 TRP 7 -2.447 -7.757 6.395
55 HZ3 TRP 7 HZ3 TRP 7 -3.516 -10.342 3.127
56 HH2 TRP 7 HH2 TRP 7 -2.562 -10.034 5.383
57 H MET 8 H MET 8 -8.271 -3.694 1.223
58 HA MET 8 HA MET 8 -9.421 -2.287 2.595
59 HB2 MET 8 HB2 MET 8 -9.441 -4.607 4.567
60 HB3 MET 8 HB3 MET 8 -10.466 -3.178 4.618
61 HG2 MET 8 HG2 MET 8 -11.177 -3.800 2.223
62 HG3 MET 8 HG3 MET 8 -10.445 -5.375 2.527
63 HE1 MET 8 HE1 MET 8 -11.103 -5.999 5.555
64 HE2 MET 8 HE2 MET 8 -12.659 -6.837 5.401
65 HE3 MET 8 HE3 MET 8 -11.369 -7.156 4.230
66 H GLN 9 H GLN 9 -7.044 -1.517 2.457
67 HA GLN 9 HA GLN 9 -5.298 -1.229 4.557
68 HB2 GLN 9 HB2 GLN 9 -4.413 0.632 3.208
69 HB3 GLN 9 HB3 GLN 9 -4.828 -0.751 2.228
70 HG2 GLN 9 HG2 GLN 9 -6.870 0.273 1.400
71 HG3 GLN 9 HG3 GLN 9 -6.803 1.552 2.608
72 HE21 GLN 9 HE21 GLN 9 -4.273 2.562 2.455
73 HE22 GLN 9 HE22 GLN 9 -4.082 3.283 0.865
74 H THR 10 H THR 10 -7.864 -0.590 5.836
75 HA THR 10 HA THR 10 -8.774 0.869 7.330
76 HB THR 10 HB THR 10 -6.087 1.792 8.232
77 HG1 THR 10 HG1 THR 10 -6.792 -0.951 8.194
78 HG21 THR 10 HG21 THR 10 -8.344 0.182 9.488
79 HG22 THR 10 HG22 THR 10 -8.128 1.948 9.636
80 HG23 THR 10 HG23 THR 10 -6.961 0.821 10.360
81 H CYS 11 H CYS 11 -9.360 2.044 5.302
82 HA CYS 11 HA CYS 11 -7.846 4.305 4.470
83 HB2 CYS 11 HB2 CYS 11 -9.346 2.544 3.193
84 HB3 CYS 11 HB3 CYS 11 -10.571 3.804 3.341
85 H ASP 12 H ASP 12 -7.949 5.314 6.558
86 HA ASP 12 HA ASP 12 -10.103 6.929 7.509
87 HB2 ASP 12 HB2 ASP 12 -7.137 6.667 7.941
88 HB3 ASP 12 HB3 ASP 12 -7.991 8.014 8.661
89 H SER 13 H SER 13 -9.608 9.401 7.975
90 HA SER 13 HA SER 13 -10.128 10.761 5.543
91 HB2 SER 13 HB2 SER 13 -10.901 11.622 7.623
92 HB3 SER 13 HB3 SER 13 -9.259 11.817 8.235
93 HG SER 13 HG SER 13 -9.161 13.262 6.139
94 H GLU 14 H GLU 14 -6.917 10.277 7.082
95 HA GLU 14 HA GLU 14 -5.624 12.137 5.223
96 HB2 GLU 14 HB2 GLU 14 -4.873 11.154 7.603
97 HB3 GLU 14 HB3 GLU 14 -4.216 9.857 6.613
98 HG2 GLU 14 HG2 GLU 14 -2.428 11.338 6.912
99 HG3 GLU 14 HG3 GLU 14 -2.979 11.677 5.274
100 H ARG 15 H ARG 15 -6.780 8.873 4.964
101 HA ARG 15 HA ARG 15 -4.192 7.895 4.322
102 HB2 ARG 15 HB2 ARG 15 -6.191 6.990 5.792
103 HB3 ARG 15 HB3 ARG 15 -6.604 6.086 4.346
104 HG2 ARG 15 HG2 ARG 15 -3.792 6.125 5.564
105 HG3 ARG 15 HG3 ARG 15 -5.054 5.037 6.147
106 HD2 ARG 15 HD2 ARG 15 -5.206 3.864 4.084
107 HD3 ARG 15 HD3 ARG 15 -4.298 5.134 3.199
108 HE ARG 15 HE ARG 15 -2.314 4.145 3.843
109 HH11 ARG 15 HH11 ARG 15 -4.651 2.671 6.015
110 HH12 ARG 15 HH12 ARG 15 -3.392 2.333 7.199
111 HH21 ARG 15 HH21 ARG 15 -0.853 3.338 5.216
112 HH22 ARG 15 HH22 ARG 15 -1.376 2.540 6.698
113 H LYS 16 H LYS 16 -3.372 8.131 2.466
114 HA LYS 16 HA LYS 16 -4.187 8.178 -0.122
115 HB2 LYS 16 HB2 LYS 16 -1.948 7.181 -0.661
116 HB3 LYS 16 HB3 LYS 16 -1.924 8.500 0.502
117 HG2 LYS 16 HG2 LYS 16 -1.854 6.707 2.368
118 HG3 LYS 16 HG3 LYS 16 -1.533 5.529 1.103
119 HD2 LYS 16 HD2 LYS 16 0.143 8.028 1.507
120 HD3 LYS 16 HD3 LYS 16 0.415 6.500 2.362
121 HE2 LYS 16 HE2 LYS 16 0.668 5.306 0.214
122 HE3 LYS 16 HE3 LYS 16 0.416 6.821 -0.672
123 HZ1 LYS 16 HZ1 LYS 16 2.412 7.689 0.249
124 HZ2 LYS 16 HZ2 LYS 16 2.770 6.177 -0.325
125 HZ3 LYS 16 HZ3 LYS 16 2.596 6.428 1.299
126 H CYS 17 H CYS 17 -5.902 6.993 -0.872
127 HA CYS 17 HA CYS 17 -5.959 4.119 -0.612
128 HB2 CYS 17 HB2 CYS 17 -8.034 5.158 -0.883
129 HB3 CYS 17 HB3 CYS 17 -7.550 5.972 -2.375
130 H CYS 18 H CYS 18 -5.020 2.636 -1.710
131 HA CYS 18 HA CYS 18 -2.869 2.545 -3.289
132 HB2 CYS 18 HB2 CYS 18 -4.797 0.830 -2.365
133 HB3 CYS 18 HB3 CYS 18 -5.091 0.724 -4.081
134 H GLU 19 H GLU 19 -6.169 2.639 -4.705
135 HA GLU 19 HA GLU 19 -5.064 3.423 -7.365
136 HB2 GLU 19 HB2 GLU 19 -7.860 2.443 -7.071
137 HB3 GLU 19 HB3 GLU 19 -6.754 2.241 -8.412
138 HG2 GLU 19 HG2 GLU 19 -6.755 0.719 -5.775
139 HG3 GLU 19 HG3 GLU 19 -7.416 0.146 -7.285
140 H GLY 20 H GLY 20 -6.386 5.007 -4.789
141 HA2 GLY 20 HA2 GLY 20 -7.565 6.977 -4.554
142 HA3 GLY 20 HA3 GLY 20 -7.431 7.180 -6.301
143 H MET 21 H MET 21 -9.169 4.372 -5.066
144 HA MET 21 HA MET 21 -11.708 5.313 -6.228
145 HB2 MET 21 HB2 MET 21 -11.210 2.883 -4.459
146 HB3 MET 21 HB3 MET 21 -12.632 3.194 -5.433
147 HG2 MET 21 HG2 MET 21 -9.857 2.787 -6.580
148 HG3 MET 21 HG3 MET 21 -11.010 1.508 -6.320
149 HE1 MET 21 HE1 MET 21 -10.561 5.047 -8.156
150 HE2 MET 21 HE2 MET 21 -9.480 3.741 -8.695
151 HE3 MET 21 HE3 MET 21 -10.710 4.381 -9.790
152 H VAL 22 H VAL 22 -13.691 4.895 -4.648
153 HA VAL 22 HA VAL 22 -13.906 6.779 -2.595
154 HB VAL 22 HB VAL 22 -15.365 4.117 -2.869
155 HG11 VAL 22 HG11 VAL 22 -16.131 6.632 -1.321
156 HG12 VAL 22 HG12 VAL 22 -17.193 5.241 -1.609
157 HG13 VAL 22 HG13 VAL 22 -15.747 5.030 -0.629
158 HG21 VAL 22 HG21 VAL 22 -16.134 6.892 -3.855
159 HG22 VAL 22 HG22 VAL 22 -15.581 5.546 -4.871
160 HG23 VAL 22 HG23 VAL 22 -17.098 5.401 -3.991
161 H CYS 23 H CYS 23 -12.662 6.953 -0.888
162 HA CYS 23 HA CYS 23 -11.675 4.589 0.617
163 HB2 CYS 23 HB2 CYS 23 -10.053 6.126 -0.356
164 HB3 CYS 23 HB3 CYS 23 -10.840 7.496 0.408
165 H ARG 24 H ARG 24 -12.974 4.050 2.245
166 HA ARG 24 HA ARG 24 -13.406 5.849 4.507
167 HB2 ARG 24 HB2 ARG 24 -15.836 4.578 3.161
168 HB3 ARG 24 HB3 ARG 24 -15.803 5.208 4.792
169 HG2 ARG 24 HG2 ARG 24 -16.743 7.008 3.897
170 HG3 ARG 24 HG3 ARG 24 -15.084 7.487 3.502
171 HD2 ARG 24 HD2 ARG 24 -15.367 6.361 1.257
172 HD3 ARG 24 HD3 ARG 24 -16.989 5.847 1.729
173 HE ARG 24 HE ARG 24 -17.749 8.115 1.767
174 HH11 ARG 24 HH11 ARG 24 -14.370 8.072 0.884
175 HH12 ARG 24 HH12 ARG 24 -14.563 9.398 -0.270
176 HH21 ARG 24 HH21 ARG 24 -17.872 9.919 0.421
177 HH22 ARG 24 HH22 ARG 24 -16.384 10.602 -0.191
178 H LEU 25 H LEU 25 -12.129 4.459 5.672
179 HA LEU 25 HA LEU 25 -11.431 2.669 6.888
180 HB2 LEU 25 HB2 LEU 25 -14.077 1.277 6.449
181 HB3 LEU 25 HB3 LEU 25 -12.928 1.028 7.746
182 HG LEU 25 HG LEU 25 -14.598 3.547 7.307
183 HD11 LEU 25 HD11 LEU 25 -15.935 1.631 8.013
184 HD12 LEU 25 HD12 LEU 25 -15.834 2.862 9.276
185 HD13 LEU 25 HD13 LEU 25 -14.859 1.386 9.411
186 HD21 LEU 25 HD21 LEU 25 -12.430 4.047 8.435
187 HD22 LEU 25 HD22 LEU 25 -12.781 2.757 9.619
188 HD23 LEU 25 HD23 LEU 25 -13.789 4.210 9.536
189 H TRP 26 H TRP 26 -12.969 1.722 3.865
190 HA TRP 26 HA TRP 26 -10.523 0.254 3.121
191 HB2 TRP 26 HB2 TRP 26 -12.101 -1.427 1.950
192 HB3 TRP 26 HB3 TRP 26 -11.736 -1.569 3.648
193 HD1 TRP 26 HD1 TRP 26 -13.635 -1.671 5.322
194 HE1 TRP 26 HE1 TRP 26 -16.189 -1.394 5.270
195 HE3 TRP 26 HE3 TRP 26 -14.165 0.261 0.601
196 HZ2 TRP 26 HZ2 TRP 26 -18.171 -0.358 3.491
197 HZ3 TRP 26 HZ3 TRP 26 -16.402 0.938 -0.218
198 HH2 TRP 26 HH2 TRP 26 -18.409 0.642 1.205
199 H CYS 27 H CYS 27 -10.654 -0.284 0.641
200 HA CYS 27 HA CYS 27 -11.964 1.813 -0.937
201 HB2 CYS 27 HB2 CYS 27 -9.843 2.769 0.099
202 HB3 CYS 27 HB3 CYS 27 -8.931 1.627 -0.892
203 H LYS 28 H LYS 28 -12.993 -0.065 -1.865
204 HA LYS 28 HA LYS 28 -11.353 -2.218 -3.018
205 HB2 LYS 28 HB2 LYS 28 -14.363 -1.841 -2.787
206 HB3 LYS 28 HB3 LYS 28 -13.636 -3.107 -3.766
207 HG2 LYS 28 HG2 LYS 28 -14.157 -4.166 -1.817
208 HG3 LYS 28 HG3 LYS 28 -12.410 -3.941 -1.729
209 HD2 LYS 28 HD2 LYS 28 -12.746 -2.052 -0.172
210 HD3 LYS 28 HD3 LYS 28 -14.500 -2.217 -0.305
211 HE2 LYS 28 HE2 LYS 28 -12.643 -4.424 0.679
212 HE3 LYS 28 HE3 LYS 28 -13.446 -3.274 1.760
213 HZ1 LYS 28 HZ1 LYS 28 -14.645 -5.388 1.534
214 HZ2 LYS 28 HZ2 LYS 28 -14.915 -5.112 -0.052
215 HZ3 LYS 28 HZ3 LYS 28 -15.569 -4.115 1.068
216 H LYS 29 H LYS 29 -14.134 -0.843 -4.722
217 HA LYS 29 HA LYS 29 -12.571 0.297 -6.867
218 HB2 LYS 29 HB2 LYS 29 -12.851 -2.433 -7.082
219 HB3 LYS 29 HB3 LYS 29 -14.275 -1.918 -7.949
220 HG2 LYS 29 HG2 LYS 29 -13.051 -0.832 -9.614
221 HG3 LYS 29 HG3 LYS 29 -11.639 -0.548 -8.597
222 HD2 LYS 29 HD2 LYS 29 -12.368 -3.393 -9.301
223 HD3 LYS 29 HD3 LYS 29 -11.596 -2.365 -10.498
224 HE2 LYS 29 HE2 LYS 29 -9.902 -3.652 -9.384
225 HE3 LYS 29 HE3 LYS 29 -9.686 -1.940 -9.009
226 HZ1 LYS 29 HZ1 LYS 29 -10.587 -2.325 -6.814
227 HZ2 LYS 29 HZ2 LYS 29 -9.485 -3.508 -7.049
228 HZ3 LYS 29 HZ3 LYS 29 -11.069 -3.841 -7.188
229 H LYS 30 H LYS 30 -13.736 1.749 -7.979
230 HA LYS 30 HA LYS 30 -16.596 1.700 -8.259
231 HB2 LYS 30 HB2 LYS 30 -16.188 2.403 -5.762
232 HB3 LYS 30 HB3 LYS 30 -15.566 3.899 -6.424
233 HG2 LYS 30 HG2 LYS 30 -17.872 4.214 -5.794
234 HG3 LYS 30 HG3 LYS 30 -17.813 4.245 -7.549
235 HD2 LYS 30 HD2 LYS 30 -18.302 1.548 -6.992
236 HD3 LYS 30 HD3 LYS 30 -19.155 2.366 -5.694
237 HE2 LYS 30 HE2 LYS 30 -20.563 3.562 -7.200
238 HE3 LYS 30 HE3 LYS 30 -19.466 3.302 -8.564
239 HZ1 LYS 30 HZ1 LYS 30 -21.358 1.809 -8.735
240 HZ2 LYS 30 HZ2 LYS 30 -21.013 1.147 -7.250
241 HZ3 LYS 30 HZ3 LYS 30 -19.977 0.967 -8.517
242 H LEU 31 H LEU 31 -14.726 1.832 -10.209
243 HA LEU 31 HA LEU 31 -15.379 4.322 -11.517
244 HB2 LEU 31 HB2 LEU 31 -13.294 4.872 -10.136
245 HB3 LEU 31 HB3 LEU 31 -12.434 3.676 -11.106
246 HG LEU 31 HG LEU 31 -12.843 5.051 -13.148
247 HD11 LEU 31 HD11 LEU 31 -13.669 7.386 -12.827
248 HD12 LEU 31 HD12 LEU 31 -14.147 6.972 -11.167
249 HD13 LEU 31 HD13 LEU 31 -14.932 6.193 -12.562
250 HD21 LEU 31 HD21 LEU 31 -11.338 6.890 -12.577
251 HD22 LEU 31 HD22 LEU 31 -10.793 5.378 -11.861
252 HD23 LEU 31 HD23 LEU 31 -11.599 6.591 -10.841
253 H LEU 32 H LEU 32 -14.801 4.292 -13.832
254 HA LEU 32 HA LEU 32 -14.011 1.640 -14.982
255 HB2 LEU 32 HB2 LEU 32 -16.128 3.659 -15.960
256 HB3 LEU 32 HB3 LEU 32 -15.511 2.278 -16.875
257 HG LEU 32 HG LEU 32 -16.263 0.938 -14.627
258 HD11 LEU 32 HD11 LEU 32 -18.446 1.815 -13.839
259 HD12 LEU 32 HD12 LEU 32 -18.250 3.264 -14.845
260 HD13 LEU 32 HD13 LEU 32 -17.174 2.971 -13.465
261 HD21 LEU 32 HD21 LEU 32 -18.359 0.379 -15.811
262 HD22 LEU 32 HD22 LEU 32 -17.000 0.446 -16.936
263 HD23 LEU 32 HD23 LEU 32 -18.149 1.798 -16.872
Start of MODEL 4
1 H1 GLY 1 H1 GLY 1 1.931 1.333 -0.078
2 H2 GLY 1 H2 GLY 1 1.288 0.166 0.906
3 H3 GLY 1 H3 GLY 1 2.854 0.621 1.082
4 HA2 GLY 1 HA2 GLY 1 3.384 -0.166 -1.120
5 HA3 GLY 1 HA3 GLY 1 2.850 -1.454 -0.020
6 HA PRO 2 HA PRO 2 0.337 -1.524 -3.896
7 HB2 PRO 2 HB2 PRO 2 1.116 -3.827 -5.020
8 HB3 PRO 2 HB3 PRO 2 2.247 -2.451 -4.856
9 HG2 PRO 2 HG2 PRO 2 1.981 -4.856 -3.010
10 HG3 PRO 2 HG3 PRO 2 3.471 -4.237 -3.790
11 HD2 PRO 2 HD2 PRO 2 2.676 -3.530 -1.237
12 HD3 PRO 2 HD3 PRO 2 3.623 -2.450 -2.305
13 H TYR 3 H TYR 3 0.085 -3.327 -1.084
14 HA TYR 3 HA TYR 3 -2.390 -4.655 -1.963
15 HB2 TYR 3 HB2 TYR 3 -1.978 -6.174 0.069
16 HB3 TYR 3 HB3 TYR 3 -1.348 -6.477 -1.538
17 HD1 TYR 3 HD1 TYR 3 0.858 -7.145 -1.719
18 HD2 TYR 3 HD2 TYR 3 -0.292 -4.670 1.623
19 HE1 TYR 3 HE1 TYR 3 3.176 -7.245 -0.848
20 HE2 TYR 3 HE2 TYR 3 2.042 -4.754 2.482
21 HH TYR 3 HH TYR 3 4.204 -5.333 1.988
22 H CYS 4 H CYS 4 -3.427 -2.712 -1.810
23 HA CYS 4 HA CYS 4 -4.380 -2.134 0.957
24 HB2 CYS 4 HB2 CYS 4 -4.593 0.257 -0.180
25 HB3 CYS 4 HB3 CYS 4 -3.217 -0.284 0.735
26 H GLN 5 H GLN 5 -5.393 -1.355 -2.396
27 HA GLN 5 HA GLN 5 -8.220 -1.528 -1.882
28 HB2 GLN 5 HB2 GLN 5 -7.604 -0.264 -3.681
29 HB3 GLN 5 HB3 GLN 5 -6.346 -1.356 -4.228
30 HG2 GLN 5 HG2 GLN 5 -9.233 -2.164 -4.490
31 HG3 GLN 5 HG3 GLN 5 -8.537 -0.985 -5.598
32 HE21 GLN 5 HE21 GLN 5 -6.039 -1.888 -6.410
33 HE22 GLN 5 HE22 GLN 5 -6.211 -3.544 -6.971
34 H LYS 6 H LYS 6 -5.766 -3.851 -2.479
35 HA LYS 6 HA LYS 6 -7.459 -6.208 -2.714
36 HB2 LYS 6 HB2 LYS 6 -4.577 -5.462 -2.797
37 HB3 LYS 6 HB3 LYS 6 -4.842 -6.986 -1.985
38 HG2 LYS 6 HG2 LYS 6 -6.176 -6.446 -4.661
39 HG3 LYS 6 HG3 LYS 6 -4.481 -6.934 -4.580
40 HD2 LYS 6 HD2 LYS 6 -4.997 -8.969 -3.414
41 HD3 LYS 6 HD3 LYS 6 -6.693 -8.517 -3.205
42 HE2 LYS 6 HE2 LYS 6 -7.177 -8.751 -5.516
43 HE3 LYS 6 HE3 LYS 6 -5.459 -8.784 -5.970
44 HZ1 LYS 6 HZ1 LYS 6 -5.221 -10.928 -5.178
45 HZ2 LYS 6 HZ2 LYS 6 -6.758 -11.003 -5.795
46 HZ3 LYS 6 HZ3 LYS 6 -6.527 -10.855 -4.183
47 H TRP 7 H TRP 7 -6.719 -4.317 0.094
48 HA TRP 7 HA TRP 7 -7.241 -6.609 1.859
49 HB2 TRP 7 HB2 TRP 7 -4.778 -6.635 1.060
50 HB3 TRP 7 HB3 TRP 7 -4.548 -5.241 2.095
51 HD1 TRP 7 HD1 TRP 7 -4.037 -5.821 4.609
52 HE1 TRP 7 HE1 TRP 7 -4.049 -7.974 6.031
53 HE3 TRP 7 HE3 TRP 7 -6.546 -8.908 1.399
54 HZ2 TRP 7 HZ2 TRP 7 -5.209 -10.606 5.869
55 HZ3 TRP 7 HZ3 TRP 7 -7.249 -11.157 2.127
56 HH2 TRP 7 HH2 TRP 7 -6.548 -12.046 4.341
57 H MET 8 H MET 8 -8.604 -4.120 1.552
58 HA MET 8 HA MET 8 -9.475 -2.444 2.775
59 HB2 MET 8 HB2 MET 8 -9.352 -4.714 4.790
60 HB3 MET 8 HB3 MET 8 -10.411 -3.304 4.932
61 HG2 MET 8 HG2 MET 8 -11.379 -3.858 2.683
62 HG3 MET 8 HG3 MET 8 -10.465 -5.365 2.702
63 HE1 MET 8 HE1 MET 8 -10.964 -7.414 4.206
64 HE2 MET 8 HE2 MET 8 -10.704 -6.456 5.684
65 HE3 MET 8 HE3 MET 8 -12.172 -7.442 5.511
66 H GLN 9 H GLN 9 -7.258 -1.399 2.625
67 HA GLN 9 HA GLN 9 -5.321 -1.423 4.501
68 HB2 GLN 9 HB2 GLN 9 -4.364 0.439 3.307
69 HB3 GLN 9 HB3 GLN 9 -5.255 -0.561 2.169
70 HG2 GLN 9 HG2 GLN 9 -7.162 1.018 2.210
71 HG3 GLN 9 HG3 GLN 9 -6.321 2.028 3.379
72 HE21 GLN 9 HE21 GLN 9 -3.776 2.485 2.414
73 HE22 GLN 9 HE22 GLN 9 -3.937 3.202 0.822
74 H THR 10 H THR 10 -8.032 -0.367 5.845
75 HA THR 10 HA THR 10 -8.816 1.295 7.184
76 HB THR 10 HB THR 10 -5.995 1.900 8.074
77 HG1 THR 10 HG1 THR 10 -6.321 0.347 9.574
78 HG21 THR 10 HG21 THR 10 -8.717 1.984 9.475
79 HG22 THR 10 HG22 THR 10 -7.859 3.411 8.861
80 HG23 THR 10 HG23 THR 10 -7.149 2.455 10.158
81 H CYS 11 H CYS 11 -9.398 2.355 5.144
82 HA CYS 11 HA CYS 11 -7.822 4.728 4.470
83 HB2 CYS 11 HB2 CYS 11 -9.312 3.254 2.876
84 HB3 CYS 11 HB3 CYS 11 -10.530 4.463 3.287
85 H ASP 12 H ASP 12 -7.775 5.363 6.656
86 HA ASP 12 HA ASP 12 -9.780 7.184 7.733
87 HB2 ASP 12 HB2 ASP 12 -6.723 7.186 7.807
88 HB3 ASP 12 HB3 ASP 12 -7.753 8.270 8.724
89 H SER 13 H SER 13 -9.614 9.576 7.449
90 HA SER 13 HA SER 13 -9.421 10.505 4.787
91 HB2 SER 13 HB2 SER 13 -10.671 11.792 6.283
92 HB3 SER 13 HB3 SER 13 -9.389 11.811 7.489
93 HG SER 13 HG SER 13 -9.097 13.179 5.001
94 H GLU 14 H GLU 14 -6.815 10.300 7.198
95 HA GLU 14 HA GLU 14 -4.871 11.700 5.516
96 HB2 GLU 14 HB2 GLU 14 -4.559 9.996 8.002
97 HB3 GLU 14 HB3 GLU 14 -3.267 10.945 7.278
98 HG2 GLU 14 HG2 GLU 14 -4.386 13.033 7.728
99 HG3 GLU 14 HG3 GLU 14 -5.860 12.217 8.249
100 H ARG 15 H ARG 15 -6.211 8.635 5.064
101 HA ARG 15 HA ARG 15 -3.679 7.251 4.490
102 HB2 ARG 15 HB2 ARG 15 -5.836 6.138 5.492
103 HB3 ARG 15 HB3 ARG 15 -6.420 6.225 3.846
104 HG2 ARG 15 HG2 ARG 15 -5.494 4.118 3.788
105 HG3 ARG 15 HG3 ARG 15 -4.121 5.038 3.210
106 HD2 ARG 15 HD2 ARG 15 -4.501 3.539 5.761
107 HD3 ARG 15 HD3 ARG 15 -3.052 3.747 4.772
108 HE ARG 15 HE ARG 15 -2.642 5.909 5.848
109 HH11 ARG 15 HH11 ARG 15 -5.306 4.150 7.316
110 HH12 ARG 15 HH12 ARG 15 -5.365 5.206 8.691
111 HH21 ARG 15 HH21 ARG 15 -2.731 7.164 7.561
112 HH22 ARG 15 HH22 ARG 15 -3.803 6.784 8.917
113 H LYS 16 H LYS 16 -2.718 7.080 2.645
114 HA LYS 16 HA LYS 16 -3.742 8.159 0.134
115 HB2 LYS 16 HB2 LYS 16 -1.296 6.501 0.848
116 HB3 LYS 16 HB3 LYS 16 -1.688 7.032 -0.785
117 HG2 LYS 16 HG2 LYS 16 -1.748 9.402 -0.011
118 HG3 LYS 16 HG3 LYS 16 -1.347 8.887 1.621
119 HD2 LYS 16 HD2 LYS 16 0.599 9.796 0.417
120 HD3 LYS 16 HD3 LYS 16 0.839 8.138 0.960
121 HE2 LYS 16 HE2 LYS 16 1.747 8.588 -1.305
122 HE3 LYS 16 HE3 LYS 16 0.586 7.261 -1.263
123 HZ1 LYS 16 HZ1 LYS 16 -1.070 8.634 -2.242
124 HZ2 LYS 16 HZ2 LYS 16 0.279 8.856 -3.124
125 HZ3 LYS 16 HZ3 LYS 16 -0.211 10.009 -2.036
126 H CYS 17 H CYS 17 -5.657 7.230 -0.346
127 HA CYS 17 HA CYS 17 -6.272 4.473 -0.265
128 HB2 CYS 17 HB2 CYS 17 -7.933 6.268 -0.451
129 HB3 CYS 17 HB3 CYS 17 -7.361 6.648 -2.065
130 H CYS 18 H CYS 18 -5.620 2.833 -1.440
131 HA CYS 18 HA CYS 18 -3.486 2.603 -2.958
132 HB2 CYS 18 HB2 CYS 18 -5.532 0.946 -2.221
133 HB3 CYS 18 HB3 CYS 18 -5.725 0.920 -3.965
134 H GLU 19 H GLU 19 -6.655 2.969 -4.585
135 HA GLU 19 HA GLU 19 -5.303 4.207 -6.947
136 HB2 GLU 19 HB2 GLU 19 -7.845 2.867 -7.509
137 HB3 GLU 19 HB3 GLU 19 -6.384 2.892 -8.443
138 HG2 GLU 19 HG2 GLU 19 -7.025 1.066 -6.065
139 HG3 GLU 19 HG3 GLU 19 -7.227 0.664 -7.764
140 H GLY 20 H GLY 20 -6.760 5.364 -4.458
141 HA2 GLY 20 HA2 GLY 20 -8.295 7.026 -3.959
142 HA3 GLY 20 HA3 GLY 20 -8.414 7.343 -5.680
143 H MET 21 H MET 21 -9.423 4.376 -5.886
144 HA MET 21 HA MET 21 -12.197 4.888 -5.887
145 HB2 MET 21 HB2 MET 21 -12.404 2.426 -6.309
146 HB3 MET 21 HB3 MET 21 -11.389 3.368 -7.395
147 HG2 MET 21 HG2 MET 21 -9.379 2.548 -6.015
148 HG3 MET 21 HG3 MET 21 -10.480 1.446 -5.222
149 HE1 MET 21 HE1 MET 21 -11.009 1.957 -9.294
150 HE2 MET 21 HE2 MET 21 -9.482 2.714 -8.815
151 HE3 MET 21 HE3 MET 21 -9.469 1.216 -9.759
152 H VAL 22 H VAL 22 -13.360 5.381 -4.159
153 HA VAL 22 HA VAL 22 -14.637 5.098 -2.394
154 HB VAL 22 HB VAL 22 -14.167 2.149 -2.127
155 HG11 VAL 22 HG11 VAL 22 -16.688 3.842 -2.153
156 HG12 VAL 22 HG12 VAL 22 -16.527 2.130 -1.652
157 HG13 VAL 22 HG13 VAL 22 -15.830 3.403 -0.665
158 HG21 VAL 22 HG21 VAL 22 -14.305 2.318 -4.514
159 HG22 VAL 22 HG22 VAL 22 -15.878 1.794 -3.918
160 HG23 VAL 22 HG23 VAL 22 -15.644 3.489 -4.395
161 H CYS 23 H CYS 23 -12.417 6.274 -1.418
162 HA CYS 23 HA CYS 23 -11.267 4.818 0.777
163 HB2 CYS 23 HB2 CYS 23 -10.165 6.686 -0.371
164 HB3 CYS 23 HB3 CYS 23 -11.352 7.794 0.309
165 H ARG 24 H ARG 24 -13.077 3.957 1.881
166 HA ARG 24 HA ARG 24 -13.984 5.663 4.160
167 HB2 ARG 24 HB2 ARG 24 -15.872 4.203 2.262
168 HB3 ARG 24 HB3 ARG 24 -16.247 4.384 3.964
169 HG2 ARG 24 HG2 ARG 24 -17.342 6.233 3.268
170 HG3 ARG 24 HG3 ARG 24 -15.767 6.944 3.590
171 HD2 ARG 24 HD2 ARG 24 -16.396 7.743 1.444
172 HD3 ARG 24 HD3 ARG 24 -15.251 6.454 1.059
173 HE ARG 24 HE ARG 24 -17.827 5.297 1.231
174 HH11 ARG 24 HH11 ARG 24 -16.440 7.830 -0.828
175 HH12 ARG 24 HH12 ARG 24 -17.244 7.156 -2.232
176 HH21 ARG 24 HH21 ARG 24 -19.117 4.915 -0.606
177 HH22 ARG 24 HH22 ARG 24 -18.704 5.766 -2.088
178 H LEU 25 H LEU 25 -12.505 4.595 5.401
179 HA LEU 25 HA LEU 25 -11.503 3.022 6.657
180 HB2 LEU 25 HB2 LEU 25 -13.946 1.263 6.341
181 HB3 LEU 25 HB3 LEU 25 -12.691 1.126 7.562
182 HG LEU 25 HG LEU 25 -14.633 3.467 7.298
183 HD11 LEU 25 HD11 LEU 25 -15.734 1.379 7.998
184 HD12 LEU 25 HD12 LEU 25 -15.657 2.535 9.340
185 HD13 LEU 25 HD13 LEU 25 -14.531 1.166 9.286
186 HD21 LEU 25 HD21 LEU 25 -12.590 2.793 9.468
187 HD22 LEU 25 HD22 LEU 25 -13.778 4.112 9.525
188 HD23 LEU 25 HD23 LEU 25 -12.493 4.159 8.331
189 H TRP 26 H TRP 26 -12.557 1.970 3.516
190 HA TRP 26 HA TRP 26 -9.935 0.709 3.139
191 HB2 TRP 26 HB2 TRP 26 -11.209 -1.287 1.995
192 HB3 TRP 26 HB3 TRP 26 -10.876 -1.216 3.716
193 HD1 TRP 26 HD1 TRP 26 -12.723 -1.469 5.366
194 HE1 TRP 26 HE1 TRP 26 -15.255 -1.660 5.301
195 HE3 TRP 26 HE3 TRP 26 -13.462 -0.228 0.455
196 HZ2 TRP 26 HZ2 TRP 26 -17.382 -1.189 3.377
197 HZ3 TRP 26 HZ3 TRP 26 -15.767 -0.025 -0.446
198 HH2 TRP 26 HH2 TRP 26 -17.718 -0.486 1.003
199 H CYS 27 H CYS 27 -10.388 -0.302 0.544
200 HA CYS 27 HA CYS 27 -11.572 1.842 -1.060
201 HB2 CYS 27 HB2 CYS 27 -8.646 1.026 -1.314
202 HB3 CYS 27 HB3 CYS 27 -9.540 1.958 -2.515
203 H LYS 28 H LYS 28 -12.426 0.975 -2.966
204 HA LYS 28 HA LYS 28 -12.209 -2.011 -3.214
205 HB2 LYS 28 HB2 LYS 28 -14.248 -1.088 -1.984
206 HB3 LYS 28 HB3 LYS 28 -14.852 -0.566 -3.541
207 HG2 LYS 28 HG2 LYS 28 -14.216 -3.393 -2.606
208 HG3 LYS 28 HG3 LYS 28 -15.811 -2.709 -2.891
209 HD2 LYS 28 HD2 LYS 28 -15.305 -2.557 -5.332
210 HD3 LYS 28 HD3 LYS 28 -13.739 -3.323 -5.045
211 HE2 LYS 28 HE2 LYS 28 -16.460 -4.594 -4.598
212 HE3 LYS 28 HE3 LYS 28 -15.322 -4.920 -5.909
213 HZ1 LYS 28 HZ1 LYS 28 -15.257 -5.838 -3.176
214 HZ2 LYS 28 HZ2 LYS 28 -13.777 -5.408 -3.795
215 HZ3 LYS 28 HZ3 LYS 28 -14.684 -6.548 -4.558
216 H LYS 29 H LYS 29 -14.307 -0.164 -5.339
217 HA LYS 29 HA LYS 29 -12.436 0.216 -7.470
218 HB2 LYS 29 HB2 LYS 29 -12.923 -2.365 -7.443
219 HB3 LYS 29 HB3 LYS 29 -14.473 -1.923 -8.152
220 HG2 LYS 29 HG2 LYS 29 -13.378 -0.945 -10.085
221 HG3 LYS 29 HG3 LYS 29 -11.805 -0.948 -9.280
222 HD2 LYS 29 HD2 LYS 29 -11.855 -3.443 -9.191
223 HD3 LYS 29 HD3 LYS 29 -13.348 -3.422 -10.133
224 HE2 LYS 29 HE2 LYS 29 -10.646 -2.320 -11.027
225 HE3 LYS 29 HE3 LYS 29 -11.324 -3.888 -11.490
226 HZ1 LYS 29 HZ1 LYS 29 -12.403 -1.226 -12.218
227 HZ2 LYS 29 HZ2 LYS 29 -13.218 -2.636 -12.475
228 HZ3 LYS 29 HZ3 LYS 29 -11.783 -2.355 -13.214
229 H LYS 30 H LYS 30 -13.216 1.804 -8.817
230 HA LYS 30 HA LYS 30 -16.092 2.389 -8.836
231 HB2 LYS 30 HB2 LYS 30 -14.630 3.313 -6.644
232 HB3 LYS 30 HB3 LYS 30 -14.627 4.712 -7.686
233 HG2 LYS 30 HG2 LYS 30 -17.280 3.858 -7.898
234 HG3 LYS 30 HG3 LYS 30 -16.872 3.306 -6.290
235 HD2 LYS 30 HD2 LYS 30 -17.574 5.409 -5.744
236 HD3 LYS 30 HD3 LYS 30 -15.906 5.862 -6.123
237 HE2 LYS 30 HE2 LYS 30 -16.637 6.262 -8.523
238 HE3 LYS 30 HE3 LYS 30 -18.292 5.882 -8.046
239 HZ1 LYS 30 HZ1 LYS 30 -17.918 8.242 -8.079
240 HZ2 LYS 30 HZ2 LYS 30 -16.717 8.135 -6.957
241 HZ3 LYS 30 HZ3 LYS 30 -18.299 7.757 -6.581
242 H LEU 31 H LEU 31 -14.333 1.969 -10.946
243 HA LEU 31 HA LEU 31 -14.877 4.442 -12.509
244 HB2 LEU 31 HB2 LEU 31 -12.507 2.568 -12.605
245 HB3 LEU 31 HB3 LEU 31 -13.118 3.187 -14.115
246 HG LEU 31 HG LEU 31 -11.266 4.477 -13.345
247 HD11 LEU 31 HD11 LEU 31 -13.757 6.209 -13.149
248 HD12 LEU 31 HD12 LEU 31 -13.115 5.548 -14.664
249 HD13 LEU 31 HD13 LEU 31 -12.138 6.664 -13.721
250 HD21 LEU 31 HD21 LEU 31 -12.914 5.484 -11.003
251 HD22 LEU 31 HD22 LEU 31 -11.250 5.906 -11.417
252 HD23 LEU 31 HD23 LEU 31 -11.625 4.265 -10.869
253 H LEU 32 H LEU 32 -15.352 3.850 -14.842
254 HA LEU 32 HA LEU 32 -17.366 1.612 -14.780
255 HB2 LEU 32 HB2 LEU 32 -17.407 4.364 -16.144
256 HB3 LEU 32 HB3 LEU 32 -18.711 3.167 -16.197
257 HG LEU 32 HG LEU 32 -17.712 4.607 -13.672
258 HD11 LEU 32 HD11 LEU 32 -19.909 5.704 -13.738
259 HD12 LEU 32 HD12 LEU 32 -20.321 4.838 -15.233
260 HD13 LEU 32 HD13 LEU 32 -19.005 6.032 -15.222
261 HD21 LEU 32 HD21 LEU 32 -19.758 3.579 -12.610
262 HD22 LEU 32 HD22 LEU 32 -18.513 2.393 -12.997
263 HD23 LEU 32 HD23 LEU 32 -19.943 2.553 -14.044
Start of MODEL 5
1 H1 GLY 1 H1 GLY 1 5.503 1.506 -1.756
2 H2 GLY 1 H2 GLY 1 4.549 0.635 -2.769
3 H3 GLY 1 H3 GLY 1 4.149 2.190 -2.398
4 HA2 GLY 1 HA2 GLY 1 4.196 -0.060 -0.482
5 HA3 GLY 1 HA3 GLY 1 3.810 1.622 -0.089
6 HA PRO 2 HA PRO 2 0.081 0.029 -2.495
7 HB2 PRO 2 HB2 PRO 2 0.153 -2.160 -3.999
8 HB3 PRO 2 HB3 PRO 2 1.313 -0.842 -4.316
9 HG2 PRO 2 HG2 PRO 2 1.803 -3.410 -2.790
10 HG3 PRO 2 HG3 PRO 2 2.840 -2.641 -4.010
11 HD2 PRO 2 HD2 PRO 2 3.037 -2.303 -1.202
12 HD3 PRO 2 HD3 PRO 2 3.808 -1.292 -2.446
13 H TYR 3 H TYR 3 -0.425 -3.215 -2.546
14 HA TYR 3 HA TYR 3 -1.707 -4.602 -1.413
15 HB2 TYR 3 HB2 TYR 3 0.269 -3.924 0.748
16 HB3 TYR 3 HB3 TYR 3 -0.845 -5.289 0.814
17 HD1 TYR 3 HD1 TYR 3 2.365 -4.361 -0.183
18 HD2 TYR 3 HD2 TYR 3 -0.978 -6.765 -1.447
19 HE1 TYR 3 HE1 TYR 3 3.835 -5.532 -1.844
20 HE2 TYR 3 HE2 TYR 3 0.458 -7.850 -3.145
21 HH TYR 3 HH TYR 3 2.396 -7.345 -4.400
22 H CYS 4 H CYS 4 -3.060 -2.305 -1.648
23 HA CYS 4 HA CYS 4 -4.604 -2.158 0.877
24 HB2 CYS 4 HB2 CYS 4 -4.805 0.307 0.113
25 HB3 CYS 4 HB3 CYS 4 -3.422 -0.297 0.986
26 H GLN 5 H GLN 5 -5.213 -1.351 -2.620
27 HA GLN 5 HA GLN 5 -8.030 -1.164 -2.259
28 HB2 GLN 5 HB2 GLN 5 -7.437 -0.140 -4.134
29 HB3 GLN 5 HB3 GLN 5 -6.127 -1.241 -4.530
30 HG2 GLN 5 HG2 GLN 5 -9.057 -1.917 -4.979
31 HG3 GLN 5 HG3 GLN 5 -8.104 -1.035 -6.145
32 HE21 GLN 5 HE21 GLN 5 -5.745 -2.175 -6.549
33 HE22 GLN 5 HE22 GLN 5 -5.917 -3.913 -6.823
34 H LYS 6 H LYS 6 -6.038 -3.991 -2.735
35 HA LYS 6 HA LYS 6 -8.271 -5.805 -3.131
36 HB2 LYS 6 HB2 LYS 6 -5.956 -6.130 -4.004
37 HB3 LYS 6 HB3 LYS 6 -5.383 -6.399 -2.352
38 HG2 LYS 6 HG2 LYS 6 -6.727 -8.420 -2.162
39 HG3 LYS 6 HG3 LYS 6 -7.572 -8.057 -3.666
40 HD2 LYS 6 HD2 LYS 6 -5.370 -8.327 -4.899
41 HD3 LYS 6 HD3 LYS 6 -4.649 -8.853 -3.373
42 HE2 LYS 6 HE2 LYS 6 -6.506 -10.569 -3.196
43 HE3 LYS 6 HE3 LYS 6 -7.021 -10.129 -4.824
44 HZ1 LYS 6 HZ1 LYS 6 -5.578 -12.091 -4.744
45 HZ2 LYS 6 HZ2 LYS 6 -4.379 -11.229 -4.062
46 HZ3 LYS 6 HZ3 LYS 6 -4.830 -10.923 -5.628
47 H TRP 7 H TRP 7 -7.126 -4.228 -0.291
48 HA TRP 7 HA TRP 7 -7.751 -6.544 1.500
49 HB2 TRP 7 HB2 TRP 7 -5.436 -6.394 0.232
50 HB3 TRP 7 HB3 TRP 7 -5.058 -5.163 1.402
51 HD1 TRP 7 HD1 TRP 7 -4.583 -6.044 3.894
52 HE1 TRP 7 HE1 TRP 7 -3.986 -8.391 4.827
53 HE3 TRP 7 HE3 TRP 7 -6.340 -8.919 0.054
54 HZ2 TRP 7 HZ2 TRP 7 -4.404 -11.134 4.068
55 HZ3 TRP 7 HZ3 TRP 7 -6.252 -11.398 0.184
56 HH2 TRP 7 HH2 TRP 7 -5.269 -12.513 2.178
57 H MET 8 H MET 8 -9.339 -4.349 1.769
58 HA MET 8 HA MET 8 -10.154 -2.891 3.394
59 HB2 MET 8 HB2 MET 8 -8.934 -5.190 4.923
60 HB3 MET 8 HB3 MET 8 -10.082 -4.040 5.623
61 HG2 MET 8 HG2 MET 8 -11.821 -4.672 4.106
62 HG3 MET 8 HG3 MET 8 -10.725 -5.677 3.158
63 HE1 MET 8 HE1 MET 8 -13.575 -6.695 4.272
64 HE2 MET 8 HE2 MET 8 -12.473 -7.639 3.258
65 HE3 MET 8 HE3 MET 8 -13.112 -8.338 4.760
66 H GLN 9 H GLN 9 -7.994 -1.604 2.608
67 HA GLN 9 HA GLN 9 -5.859 -1.282 4.284
68 HB2 GLN 9 HB2 GLN 9 -5.162 0.380 2.678
69 HB3 GLN 9 HB3 GLN 9 -6.005 -0.928 1.880
70 HG2 GLN 9 HG2 GLN 9 -7.672 0.383 1.099
71 HG3 GLN 9 HG3 GLN 9 -7.862 1.259 2.608
72 HE21 GLN 9 HE21 GLN 9 -5.850 2.768 3.117
73 HE22 GLN 9 HE22 GLN 9 -5.258 3.688 1.711
74 H THR 10 H THR 10 -8.219 -0.353 5.927
75 HA THR 10 HA THR 10 -8.856 1.418 7.310
76 HB THR 10 HB THR 10 -5.863 1.293 7.791
77 HG1 THR 10 HG1 THR 10 -6.294 -0.534 8.890
78 HG21 THR 10 HG21 THR 10 -8.255 1.762 9.626
79 HG22 THR 10 HG22 THR 10 -6.958 2.926 9.270
80 HG23 THR 10 HG23 THR 10 -6.603 1.460 10.191
81 H CYS 11 H CYS 11 -9.182 2.653 5.137
82 HA CYS 11 HA CYS 11 -7.472 4.881 4.607
83 HB2 CYS 11 HB2 CYS 11 -8.910 3.565 2.988
84 HB3 CYS 11 HB3 CYS 11 -10.275 4.541 3.539
85 H ASP 12 H ASP 12 -7.338 5.776 6.678
86 HA ASP 12 HA ASP 12 -9.339 7.555 7.742
87 HB2 ASP 12 HB2 ASP 12 -6.346 7.237 8.044
88 HB3 ASP 12 HB3 ASP 12 -7.207 8.558 8.817
89 H SER 13 H SER 13 -9.167 9.899 7.858
90 HA SER 13 HA SER 13 -9.337 11.189 5.436
91 HB2 SER 13 HB2 SER 13 -10.356 12.076 7.374
92 HB3 SER 13 HB3 SER 13 -8.812 12.269 8.208
93 HG SER 13 HG SER 13 -9.895 14.188 7.052
94 H GLU 14 H GLU 14 -6.307 10.972 7.315
95 HA GLU 14 HA GLU 14 -4.747 12.673 5.502
96 HB2 GLU 14 HB2 GLU 14 -4.182 10.719 7.750
97 HB3 GLU 14 HB3 GLU 14 -2.853 11.257 6.746
98 HG2 GLU 14 HG2 GLU 14 -4.689 13.142 8.258
99 HG3 GLU 14 HG3 GLU 14 -3.142 12.545 8.858
100 H ARG 15 H ARG 15 -5.909 9.426 5.285
101 HA ARG 15 HA ARG 15 -3.316 8.367 4.522
102 HB2 ARG 15 HB2 ARG 15 -4.981 7.508 6.266
103 HB3 ARG 15 HB3 ARG 15 -5.873 6.784 4.937
104 HG2 ARG 15 HG2 ARG 15 -2.886 6.256 5.093
105 HG3 ARG 15 HG3 ARG 15 -3.896 5.577 6.373
106 HD2 ARG 15 HD2 ARG 15 -5.335 4.448 4.727
107 HD3 ARG 15 HD3 ARG 15 -4.401 5.197 3.386
108 HE ARG 15 HE ARG 15 -2.648 3.680 3.775
109 HH11 ARG 15 HH11 ARG 15 -4.920 3.361 6.523
110 HH12 ARG 15 HH12 ARG 15 -3.737 2.336 7.336
111 HH21 ARG 15 HH21 ARG 15 -1.496 2.215 4.812
112 HH22 ARG 15 HH22 ARG 15 -1.955 1.695 6.442
113 H LYS 16 H LYS 16 -2.654 7.623 2.664
114 HA LYS 16 HA LYS 16 -3.965 8.281 0.268
115 HB2 LYS 16 HB2 LYS 16 -2.151 7.192 -0.894
116 HB3 LYS 16 HB3 LYS 16 -1.551 8.120 0.475
117 HG2 LYS 16 HG2 LYS 16 -1.445 5.917 1.783
118 HG3 LYS 16 HG3 LYS 16 -1.755 5.092 0.253
119 HD2 LYS 16 HD2 LYS 16 0.606 6.916 0.884
120 HD3 LYS 16 HD3 LYS 16 0.639 5.152 0.796
121 HE2 LYS 16 HE2 LYS 16 0.000 5.273 -1.618
122 HE3 LYS 16 HE3 LYS 16 0.031 7.043 -1.525
123 HZ1 LYS 16 HZ1 LYS 16 2.379 5.270 -1.041
124 HZ2 LYS 16 HZ2 LYS 16 2.392 6.919 -0.985
125 HZ3 LYS 16 HZ3 LYS 16 2.125 6.135 -2.393
126 H CYS 17 H CYS 17 -5.402 7.385 -0.980
127 HA CYS 17 HA CYS 17 -6.436 4.690 -0.336
128 HB2 CYS 17 HB2 CYS 17 -7.939 6.634 -0.407
129 HB3 CYS 17 HB3 CYS 17 -7.554 6.874 -2.107
130 H CYS 18 H CYS 18 -5.940 2.994 -1.503
131 HA CYS 18 HA CYS 18 -3.681 2.873 -2.783
132 HB2 CYS 18 HB2 CYS 18 -5.555 1.049 -2.116
133 HB3 CYS 18 HB3 CYS 18 -5.642 0.929 -3.870
134 H GLU 19 H GLU 19 -6.629 2.700 -4.865
135 HA GLU 19 HA GLU 19 -5.034 3.811 -7.137
136 HB2 GLU 19 HB2 GLU 19 -7.621 2.519 -7.771
137 HB3 GLU 19 HB3 GLU 19 -6.138 2.560 -8.668
138 HG2 GLU 19 HG2 GLU 19 -6.759 0.807 -6.258
139 HG3 GLU 19 HG3 GLU 19 -6.939 0.327 -7.935
140 H GLY 20 H GLY 20 -6.192 5.473 -4.991
141 HA2 GLY 20 HA2 GLY 20 -7.612 7.223 -4.615
142 HA3 GLY 20 HA3 GLY 20 -7.713 7.411 -6.375
143 H MET 21 H MET 21 -8.784 4.588 -4.561
144 HA MET 21 HA MET 21 -11.387 4.602 -5.897
145 HB2 MET 21 HB2 MET 21 -9.851 2.662 -4.152
146 HB3 MET 21 HB3 MET 21 -11.485 2.312 -4.706
147 HG2 MET 21 HG2 MET 21 -9.269 3.017 -6.608
148 HG3 MET 21 HG3 MET 21 -9.624 1.365 -6.101
149 HE1 MET 21 HE1 MET 21 -9.546 2.227 -9.212
150 HE2 MET 21 HE2 MET 21 -9.774 0.607 -8.516
151 HE3 MET 21 HE3 MET 21 -10.914 1.217 -9.731
152 H VAL 22 H VAL 22 -12.824 3.154 -3.903
153 HA VAL 22 HA VAL 22 -14.185 5.324 -2.668
154 HB VAL 22 HB VAL 22 -14.734 2.396 -2.105
155 HG11 VAL 22 HG11 VAL 22 -16.544 4.808 -2.487
156 HG12 VAL 22 HG12 VAL 22 -17.038 3.180 -1.959
157 HG13 VAL 22 HG13 VAL 22 -16.019 4.193 -0.910
158 HG21 VAL 22 HG21 VAL 22 -15.563 3.931 -4.583
159 HG22 VAL 22 HG22 VAL 22 -14.547 2.477 -4.527
160 HG23 VAL 22 HG23 VAL 22 -16.236 2.374 -4.042
161 H CYS 23 H CYS 23 -12.373 6.164 -1.279
162 HA CYS 23 HA CYS 23 -11.383 4.741 0.959
163 HB2 CYS 23 HB2 CYS 23 -10.394 6.768 -0.073
164 HB3 CYS 23 HB3 CYS 23 -11.732 7.715 0.554
165 H ARG 24 H ARG 24 -13.064 3.701 2.058
166 HA ARG 24 HA ARG 24 -13.875 5.230 4.442
167 HB2 ARG 24 HB2 ARG 24 -16.002 3.558 3.032
168 HB3 ARG 24 HB3 ARG 24 -16.111 4.296 4.604
169 HG2 ARG 24 HG2 ARG 24 -17.346 5.799 3.482
170 HG3 ARG 24 HG3 ARG 24 -15.774 6.581 3.270
171 HD2 ARG 24 HD2 ARG 24 -15.570 5.385 1.050
172 HD3 ARG 24 HD3 ARG 24 -17.128 4.610 1.353
173 HE ARG 24 HE ARG 24 -16.890 7.588 1.368
174 HH11 ARG 24 HH11 ARG 24 -17.970 4.807 -0.437
175 HH12 ARG 24 HH12 ARG 24 -18.779 5.799 -1.616
176 HH21 ARG 24 HH21 ARG 24 -18.169 8.745 -0.027
177 HH22 ARG 24 HH22 ARG 24 -19.114 7.925 -1.245
178 H LEU 25 H LEU 25 -12.268 4.057 5.458
179 HA LEU 25 HA LEU 25 -10.989 2.378 6.259
180 HB2 LEU 25 HB2 LEU 25 -13.452 0.614 6.165
181 HB3 LEU 25 HB3 LEU 25 -11.934 0.219 6.945
182 HG LEU 25 HG LEU 25 -13.688 2.575 7.722
183 HD11 LEU 25 HD11 LEU 25 -14.331 1.222 9.666
184 HD12 LEU 25 HD12 LEU 25 -13.385 -0.149 9.037
185 HD13 LEU 25 HD13 LEU 25 -14.813 0.448 8.152
186 HD21 LEU 25 HD21 LEU 25 -11.366 2.944 8.395
187 HD22 LEU 25 HD22 LEU 25 -11.281 1.312 9.102
188 HD23 LEU 25 HD23 LEU 25 -12.336 2.550 9.811
189 H TRP 26 H TRP 26 -13.008 0.568 3.860
190 HA TRP 26 HA TRP 26 -10.566 -0.476 2.616
191 HB2 TRP 26 HB2 TRP 26 -12.471 -1.161 0.831
192 HB3 TRP 26 HB3 TRP 26 -12.009 -2.094 2.225
193 HD1 TRP 26 HD1 TRP 26 -13.814 -2.670 3.926
194 HE1 TRP 26 HE1 TRP 26 -16.286 -2.090 4.285
195 HE3 TRP 26 HE3 TRP 26 -14.190 1.241 0.662
196 HZ2 TRP 26 HZ2 TRP 26 -18.146 -0.097 3.361
197 HZ3 TRP 26 HZ3 TRP 26 -16.301 2.505 0.474
198 HH2 TRP 26 HH2 TRP 26 -18.302 1.845 1.809
199 H CYS 27 H CYS 27 -10.311 -0.314 0.277
200 HA CYS 27 HA CYS 27 -11.294 2.122 -1.049
201 HB2 CYS 27 HB2 CYS 27 -8.380 1.400 -0.758
202 HB3 CYS 27 HB3 CYS 27 -8.948 2.252 -2.178
203 H LYS 28 H LYS 28 -12.545 -0.091 -1.237
204 HA LYS 28 HA LYS 28 -11.705 -2.114 -3.061
205 HB2 LYS 28 HB2 LYS 28 -14.171 -2.614 -3.216
206 HB3 LYS 28 HB3 LYS 28 -13.507 -2.616 -1.586
207 HG2 LYS 28 HG2 LYS 28 -14.484 -0.473 -1.080
208 HG3 LYS 28 HG3 LYS 28 -14.975 -0.213 -2.758
209 HD2 LYS 28 HD2 LYS 28 -16.626 -1.962 -2.642
210 HD3 LYS 28 HD3 LYS 28 -16.058 -2.498 -1.058
211 HE2 LYS 28 HE2 LYS 28 -16.870 -0.604 0.065
212 HE3 LYS 28 HE3 LYS 28 -16.910 0.371 -1.409
213 HZ1 LYS 28 HZ1 LYS 28 -18.787 -0.886 -2.180
214 HZ2 LYS 28 HZ2 LYS 28 -19.133 -0.228 -0.731
215 HZ3 LYS 28 HZ3 LYS 28 -18.818 -1.847 -0.867
216 H LYS 29 H LYS 29 -12.089 -2.479 -5.207
217 HA LYS 29 HA LYS 29 -11.960 -0.349 -7.045
218 HB2 LYS 29 HB2 LYS 29 -12.701 -3.258 -7.284
219 HB3 LYS 29 HB3 LYS 29 -12.759 -2.194 -8.695
220 HG2 LYS 29 HG2 LYS 29 -10.431 -1.758 -8.647
221 HG3 LYS 29 HG3 LYS 29 -10.255 -2.355 -7.003
222 HD2 LYS 29 HD2 LYS 29 -9.332 -3.954 -8.656
223 HD3 LYS 29 HD3 LYS 29 -10.639 -4.639 -7.684
224 HE2 LYS 29 HE2 LYS 29 -12.227 -4.071 -9.573
225 HE3 LYS 29 HE3 LYS 29 -10.830 -3.659 -10.568
226 HZ1 LYS 29 HZ1 LYS 29 -10.864 -6.294 -9.243
227 HZ2 LYS 29 HZ2 LYS 29 -10.264 -5.885 -10.727
228 HZ3 LYS 29 HZ3 LYS 29 -11.860 -6.079 -10.516
229 H LYS 30 H LYS 30 -13.393 1.209 -7.282
230 HA LYS 30 HA LYS 30 -15.838 0.517 -8.692
231 HB2 LYS 30 HB2 LYS 30 -16.432 0.688 -6.149
232 HB3 LYS 30 HB3 LYS 30 -16.285 2.424 -6.386
233 HG2 LYS 30 HG2 LYS 30 -18.056 0.655 -8.098
234 HG3 LYS 30 HG3 LYS 30 -18.604 1.365 -6.583
235 HD2 LYS 30 HD2 LYS 30 -18.348 3.615 -7.425
236 HD3 LYS 30 HD3 LYS 30 -17.603 3.036 -8.928
237 HE2 LYS 30 HE2 LYS 30 -19.626 1.832 -9.553
238 HE3 LYS 30 HE3 LYS 30 -20.408 2.292 -8.030
239 HZ1 LYS 30 HZ1 LYS 30 -20.259 4.595 -8.685
240 HZ2 LYS 30 HZ2 LYS 30 -21.088 3.755 -9.826
241 HZ3 LYS 30 HZ3 LYS 30 -19.518 4.211 -10.108
242 H LEU 31 H LEU 31 -14.568 1.319 -10.331
243 HA LEU 31 HA LEU 31 -14.811 4.211 -10.710
244 HB2 LEU 31 HB2 LEU 31 -12.586 4.061 -9.810
245 HB3 LEU 31 HB3 LEU 31 -12.150 2.749 -10.893
246 HG LEU 31 HG LEU 31 -13.026 5.328 -12.175
247 HD11 LEU 31 HD11 LEU 31 -10.752 6.277 -11.947
248 HD12 LEU 31 HD12 LEU 31 -10.330 4.971 -10.822
249 HD13 LEU 31 HD13 LEU 31 -11.579 6.146 -10.382
250 HD21 LEU 31 HD21 LEU 31 -12.321 3.386 -13.581
251 HD22 LEU 31 HD22 LEU 31 -10.763 3.356 -12.744
252 HD23 LEU 31 HD23 LEU 31 -11.206 4.740 -13.753
253 H LEU 32 H LEU 32 -15.432 4.719 -12.774
254 HA LEU 32 HA LEU 32 -16.087 2.391 -14.510
255 HB2 LEU 32 HB2 LEU 32 -16.540 5.407 -14.756
256 HB3 LEU 32 HB3 LEU 32 -17.221 4.195 -15.852
257 HG LEU 32 HG LEU 32 -17.793 4.377 -12.836
258 HD11 LEU 32 HD11 LEU 32 -18.813 6.202 -14.146
259 HD12 LEU 32 HD12 LEU 32 -20.049 5.083 -13.566
260 HD13 LEU 32 HD13 LEU 32 -19.526 5.026 -15.263
261 HD21 LEU 32 HD21 LEU 32 -19.610 2.719 -13.332
262 HD22 LEU 32 HD22 LEU 32 -18.006 2.028 -13.541
263 HD23 LEU 32 HD23 LEU 32 -18.952 2.512 -14.967
Start of MODEL 6
1 H1 GLY 1 H1 GLY 1 4.796 2.729 0.322
2 H2 GLY 1 H2 GLY 1 3.196 3.015 0.029
3 H3 GLY 1 H3 GLY 1 3.672 1.731 0.966
4 HA2 GLY 1 HA2 GLY 1 4.213 2.027 -1.903
5 HA3 GLY 1 HA3 GLY 1 4.705 0.663 -0.871
6 HA PRO 2 HA PRO 2 0.681 -0.369 -2.820
7 HB2 PRO 2 HB2 PRO 2 1.186 -2.972 -3.478
8 HB3 PRO 2 HB3 PRO 2 1.918 -1.599 -4.342
9 HG2 PRO 2 HG2 PRO 2 3.130 -3.214 -2.077
10 HG3 PRO 2 HG3 PRO 2 3.848 -2.863 -3.683
11 HD2 PRO 2 HD2 PRO 2 4.421 -1.357 -1.488
12 HD3 PRO 2 HD3 PRO 2 4.259 -0.614 -3.109
13 H TYR 3 H TYR 3 -0.514 -2.847 -2.483
14 HA TYR 3 HA TYR 3 -1.950 -3.861 -1.188
15 HB2 TYR 3 HB2 TYR 3 0.457 -4.150 0.491
16 HB3 TYR 3 HB3 TYR 3 -1.089 -4.712 1.098
17 HD1 TYR 3 HD1 TYR 3 1.431 -5.224 -1.580
18 HD2 TYR 3 HD2 TYR 3 -2.325 -6.513 0.104
19 HE1 TYR 3 HE1 TYR 3 1.611 -7.385 -2.804
20 HE2 TYR 3 HE2 TYR 3 -2.159 -8.643 -1.150
21 HH TYR 3 HH TYR 3 0.802 -9.665 -2.666
22 H CYS 4 H CYS 4 -3.101 -1.889 -1.418
23 HA CYS 4 HA CYS 4 -4.200 -1.227 1.249
24 HB2 CYS 4 HB2 CYS 4 -4.795 1.022 -0.168
25 HB3 CYS 4 HB3 CYS 4 -3.523 0.818 1.021
26 H GLN 5 H GLN 5 -5.301 -0.658 -2.144
27 HA GLN 5 HA GLN 5 -8.034 -0.973 -1.544
28 HB2 GLN 5 HB2 GLN 5 -7.413 0.087 -3.549
29 HB3 GLN 5 HB3 GLN 5 -6.425 -1.260 -4.092
30 HG2 GLN 5 HG2 GLN 5 -9.451 -1.502 -3.841
31 HG3 GLN 5 HG3 GLN 5 -8.689 -0.803 -5.256
32 HE21 GLN 5 HE21 GLN 5 -6.887 -2.245 -6.260
33 HE22 GLN 5 HE22 GLN 5 -7.182 -4.000 -6.217
34 H LYS 6 H LYS 6 -5.758 -3.450 -2.694
35 HA LYS 6 HA LYS 6 -7.537 -5.608 -2.816
36 HB2 LYS 6 HB2 LYS 6 -5.271 -5.385 -3.823
37 HB3 LYS 6 HB3 LYS 6 -4.537 -5.641 -2.229
38 HG2 LYS 6 HG2 LYS 6 -5.433 -7.876 -2.105
39 HG3 LYS 6 HG3 LYS 6 -6.484 -7.595 -3.498
40 HD2 LYS 6 HD2 LYS 6 -4.232 -7.239 -4.798
41 HD3 LYS 6 HD3 LYS 6 -3.499 -8.066 -3.419
42 HE2 LYS 6 HE2 LYS 6 -5.719 -9.086 -5.250
43 HE3 LYS 6 HE3 LYS 6 -4.051 -9.653 -5.204
44 HZ1 LYS 6 HZ1 LYS 6 -6.023 -9.967 -2.993
45 HZ2 LYS 6 HZ2 LYS 6 -4.473 -10.507 -2.959
46 HZ3 LYS 6 HZ3 LYS 6 -5.543 -11.132 -4.037
47 H TRP 7 H TRP 7 -6.470 -4.130 0.094
48 HA TRP 7 HA TRP 7 -6.983 -6.601 1.702
49 HB2 TRP 7 HB2 TRP 7 -4.604 -6.217 0.903
50 HB3 TRP 7 HB3 TRP 7 -4.569 -4.784 1.910
51 HD1 TRP 7 HD1 TRP 7 -4.928 -8.605 2.176
52 HE1 TRP 7 HE1 TRP 7 -4.014 -9.404 4.455
53 HE3 TRP 7 HE3 TRP 7 -4.218 -4.059 4.415
54 HZ2 TRP 7 HZ2 TRP 7 -2.908 -8.222 6.821
55 HZ3 TRP 7 HZ3 TRP 7 -3.279 -3.932 6.724
56 HH2 TRP 7 HH2 TRP 7 -2.549 -5.990 7.889
57 H MET 8 H MET 8 -8.053 -3.568 1.349
58 HA MET 8 HA MET 8 -9.473 -2.325 2.495
59 HB2 MET 8 HB2 MET 8 -9.708 -4.747 4.286
60 HB3 MET 8 HB3 MET 8 -10.781 -3.341 4.362
61 HG2 MET 8 HG2 MET 8 -11.399 -3.617 2.013
62 HG3 MET 8 HG3 MET 8 -10.262 -4.953 1.843
63 HE1 MET 8 HE1 MET 8 -14.479 -5.165 3.627
64 HE2 MET 8 HE2 MET 8 -13.295 -4.042 4.336
65 HE3 MET 8 HE3 MET 8 -13.803 -3.866 2.631
66 H GLN 9 H GLN 9 -6.743 -3.125 4.430
67 HA GLN 9 HA GLN 9 -5.184 -1.644 5.075
68 HB2 GLN 9 HB2 GLN 9 -4.780 -0.112 3.343
69 HB3 GLN 9 HB3 GLN 9 -5.662 -1.466 2.683
70 HG2 GLN 9 HG2 GLN 9 -7.320 -0.138 1.895
71 HG3 GLN 9 HG3 GLN 9 -7.601 0.553 3.477
72 HE21 GLN 9 HE21 GLN 9 -4.995 1.923 3.764
73 HE22 GLN 9 HE22 GLN 9 -5.104 3.281 2.639
74 H THR 10 H THR 10 -8.143 -0.372 6.144
75 HA THR 10 HA THR 10 -8.713 1.415 7.443
76 HB THR 10 HB THR 10 -5.902 1.848 8.387
77 HG1 THR 10 HG1 THR 10 -5.660 -0.011 9.115
78 HG21 THR 10 HG21 THR 10 -7.781 3.100 9.386
79 HG22 THR 10 HG22 THR 10 -6.997 2.023 10.555
80 HG23 THR 10 HG23 THR 10 -8.551 1.560 9.830
81 H CYS 11 H CYS 11 -9.079 2.458 5.368
82 HA CYS 11 HA CYS 11 -7.125 4.395 4.298
83 HB2 CYS 11 HB2 CYS 11 -8.729 3.031 2.993
84 HB3 CYS 11 HB3 CYS 11 -10.033 3.810 3.811
85 H ASP 12 H ASP 12 -7.437 5.184 6.871
86 HA ASP 12 HA ASP 12 -9.292 7.303 7.299
87 HB2 ASP 12 HB2 ASP 12 -6.531 6.699 8.386
88 HB3 ASP 12 HB3 ASP 12 -7.456 8.109 8.899
89 H SER 13 H SER 13 -8.808 9.576 7.546
90 HA SER 13 HA SER 13 -8.333 10.836 5.087
91 HB2 SER 13 HB2 SER 13 -9.672 11.647 7.032
92 HB3 SER 13 HB3 SER 13 -8.176 12.044 7.881
93 HG SER 13 HG SER 13 -7.753 13.620 6.410
94 H GLU 14 H GLU 14 -5.906 9.737 7.242
95 HA GLU 14 HA GLU 14 -3.798 11.524 6.070
96 HB2 GLU 14 HB2 GLU 14 -3.894 9.915 8.627
97 HB3 GLU 14 HB3 GLU 14 -2.479 10.810 8.086
98 HG2 GLU 14 HG2 GLU 14 -3.590 12.938 8.289
99 HG3 GLU 14 HG3 GLU 14 -5.164 12.188 8.510
100 H ARG 15 H ARG 15 -5.083 8.670 5.324
101 HA ARG 15 HA ARG 15 -2.550 7.133 4.922
102 HB2 ARG 15 HB2 ARG 15 -5.355 6.447 5.629
103 HB3 ARG 15 HB3 ARG 15 -4.696 5.421 4.385
104 HG2 ARG 15 HG2 ARG 15 -2.923 5.929 6.767
105 HG3 ARG 15 HG3 ARG 15 -4.385 4.986 7.067
106 HD2 ARG 15 HD2 ARG 15 -3.841 3.348 5.395
107 HD3 ARG 15 HD3 ARG 15 -2.507 4.375 4.745
108 HE ARG 15 HE ARG 15 -1.158 3.850 6.549
109 HH11 ARG 15 HH11 ARG 15 -4.204 2.090 6.971
110 HH12 ARG 15 HH12 ARG 15 -3.635 1.404 8.471
111 HH21 ARG 15 HH21 ARG 15 -0.743 3.222 8.613
112 HH22 ARG 15 HH22 ARG 15 -1.814 2.143 9.422
113 H LYS 16 H LYS 16 -1.940 6.307 2.946
114 HA LYS 16 HA LYS 16 -3.031 7.267 0.458
115 HB2 LYS 16 HB2 LYS 16 -1.745 5.462 -0.567
116 HB3 LYS 16 HB3 LYS 16 -0.787 6.263 0.674
117 HG2 LYS 16 HG2 LYS 16 -1.400 4.402 2.274
118 HG3 LYS 16 HG3 LYS 16 -2.235 3.579 0.965
119 HD2 LYS 16 HD2 LYS 16 -0.310 3.016 -0.147
120 HD3 LYS 16 HD3 LYS 16 0.627 4.386 0.462
121 HE2 LYS 16 HE2 LYS 16 -0.316 2.119 2.258
122 HE3 LYS 16 HE3 LYS 16 1.203 2.048 1.379
123 HZ1 LYS 16 HZ1 LYS 16 1.417 2.911 3.658
124 HZ2 LYS 16 HZ2 LYS 16 0.542 4.260 3.266
125 HZ3 LYS 16 HZ3 LYS 16 1.978 3.983 2.531
126 H CYS 17 H CYS 17 -4.253 5.922 -1.147
127 HA CYS 17 HA CYS 17 -5.728 3.705 0.111
128 HB2 CYS 17 HB2 CYS 17 -6.789 6.163 0.114
129 HB3 CYS 17 HB3 CYS 17 -7.282 5.695 -1.479
130 H CYS 18 H CYS 18 -3.697 3.681 -1.828
131 HA CYS 18 HA CYS 18 -3.005 2.667 -3.664
132 HB2 CYS 18 HB2 CYS 18 -5.397 1.056 -3.019
133 HB3 CYS 18 HB3 CYS 18 -4.673 0.832 -4.604
134 H GLU 19 H GLU 19 -6.432 2.805 -4.686
135 HA GLU 19 HA GLU 19 -5.562 4.457 -7.022
136 HB2 GLU 19 HB2 GLU 19 -8.004 3.469 -7.742
137 HB3 GLU 19 HB3 GLU 19 -6.460 2.943 -8.311
138 HG2 GLU 19 HG2 GLU 19 -7.843 1.641 -5.932
139 HG3 GLU 19 HG3 GLU 19 -8.147 1.182 -7.601
140 H GLY 20 H GLY 20 -7.846 5.599 -7.917
141 HA2 GLY 20 HA2 GLY 20 -8.605 7.571 -5.846
142 HA3 GLY 20 HA3 GLY 20 -9.021 7.584 -7.552
143 H MET 21 H MET 21 -9.624 4.524 -6.499
144 HA MET 21 HA MET 21 -12.404 4.483 -6.715
145 HB2 MET 21 HB2 MET 21 -10.563 2.662 -5.103
146 HB3 MET 21 HB3 MET 21 -12.230 2.292 -5.524
147 HG2 MET 21 HG2 MET 21 -10.002 2.703 -7.526
148 HG3 MET 21 HG3 MET 21 -10.597 1.162 -6.949
149 HE1 MET 21 HE1 MET 21 -10.442 3.426 -9.591
150 HE2 MET 21 HE2 MET 21 -11.991 3.524 -10.439
151 HE3 MET 21 HE3 MET 21 -11.724 4.481 -8.957
152 H VAL 22 H VAL 22 -14.074 4.028 -5.231
153 HA VAL 22 HA VAL 22 -14.574 5.868 -3.289
154 HB VAL 22 HB VAL 22 -15.653 3.033 -3.189
155 HG11 VAL 22 HG11 VAL 22 -16.800 5.684 -2.191
156 HG12 VAL 22 HG12 VAL 22 -17.626 4.115 -2.171
157 HG13 VAL 22 HG13 VAL 22 -16.205 4.353 -1.167
158 HG21 VAL 22 HG21 VAL 22 -16.661 5.437 -4.744
159 HG22 VAL 22 HG22 VAL 22 -15.992 3.937 -5.429
160 HG23 VAL 22 HG23 VAL 22 -17.520 3.890 -4.553
161 H CYS 23 H CYS 23 -13.672 6.393 -1.442
162 HA CYS 23 HA CYS 23 -12.578 4.247 0.321
163 HB2 CYS 23 HB2 CYS 23 -11.018 6.167 -0.312
164 HB3 CYS 23 HB3 CYS 23 -12.179 7.286 0.468
165 H ARG 24 H ARG 24 -14.240 3.508 1.551
166 HA ARG 24 HA ARG 24 -14.859 5.339 3.783
167 HB2 ARG 24 HB2 ARG 24 -16.984 3.687 2.344
168 HB3 ARG 24 HB3 ARG 24 -17.068 4.082 4.046
169 HG2 ARG 24 HG2 ARG 24 -18.296 5.818 3.317
170 HG3 ARG 24 HG3 ARG 24 -16.702 6.589 3.254
171 HD2 ARG 24 HD2 ARG 24 -16.582 5.950 0.789
172 HD3 ARG 24 HD3 ARG 24 -18.176 5.208 0.948
173 HE ARG 24 HE ARG 24 -19.168 7.336 1.238
174 HH11 ARG 24 HH11 ARG 24 -15.638 7.841 1.218
175 HH12 ARG 24 HH12 ARG 24 -15.909 9.567 1.004
176 HH21 ARG 24 HH21 ARG 24 -19.263 9.453 1.111
177 HH22 ARG 24 HH22 ARG 24 -17.804 10.418 0.892
178 H LEU 25 H LEU 25 -13.794 4.428 5.419
179 HA LEU 25 HA LEU 25 -12.373 3.070 6.510
180 HB2 LEU 25 HB2 LEU 25 -14.801 1.427 6.168
181 HB3 LEU 25 HB3 LEU 25 -13.347 0.461 6.342
182 HG LEU 25 HG LEU 25 -12.765 1.649 8.417
183 HD11 LEU 25 HD11 LEU 25 -13.928 3.819 8.006
184 HD12 LEU 25 HD12 LEU 25 -14.394 3.089 9.547
185 HD13 LEU 25 HD13 LEU 25 -15.492 2.992 8.155
186 HD21 LEU 25 HD21 LEU 25 -15.582 0.499 8.371
187 HD22 LEU 25 HD22 LEU 25 -14.554 0.669 9.810
188 HD23 LEU 25 HD23 LEU 25 -14.074 -0.426 8.501
189 H TRP 26 H TRP 26 -13.125 1.540 3.382
190 HA TRP 26 HA TRP 26 -10.300 0.628 3.193
191 HB2 TRP 26 HB2 TRP 26 -11.445 -0.963 1.418
192 HB3 TRP 26 HB3 TRP 26 -11.449 -1.246 3.130
193 HD1 TRP 26 HD1 TRP 26 -13.607 -1.679 4.278
194 HE1 TRP 26 HE1 TRP 26 -16.095 -1.475 3.771
195 HE3 TRP 26 HE3 TRP 26 -13.327 0.962 -0.105
196 HZ2 TRP 26 HZ2 TRP 26 -17.749 -0.060 1.899
197 HZ3 TRP 26 HZ3 TRP 26 -15.378 1.942 -1.075
198 HH2 TRP 26 HH2 TRP 26 -17.582 1.522 -0.030
199 H CYS 27 H CYS 27 -10.226 0.065 0.437
200 HA CYS 27 HA CYS 27 -11.635 2.131 -0.915
201 HB2 CYS 27 HB2 CYS 27 -8.618 1.949 -1.236
202 HB3 CYS 27 HB3 CYS 27 -9.651 2.219 -2.699
203 H LYS 28 H LYS 28 -12.718 1.163 -2.626
204 HA LYS 28 HA LYS 28 -11.811 -1.464 -3.640
205 HB2 LYS 28 HB2 LYS 28 -14.391 -1.059 -2.087
206 HB3 LYS 28 HB3 LYS 28 -14.089 -2.394 -3.192
207 HG2 LYS 28 HG2 LYS 28 -12.494 -1.902 -0.660
208 HG3 LYS 28 HG3 LYS 28 -13.811 -3.048 -0.856
209 HD2 LYS 28 HD2 LYS 28 -12.479 -4.148 -2.738
210 HD3 LYS 28 HD3 LYS 28 -11.117 -3.122 -2.276
211 HE2 LYS 28 HE2 LYS 28 -11.397 -4.036 0.088
212 HE3 LYS 28 HE3 LYS 28 -12.552 -5.199 -0.569
213 HZ1 LYS 28 HZ1 LYS 28 -10.698 -5.874 -2.121
214 HZ2 LYS 28 HZ2 LYS 28 -10.408 -6.231 -0.530
215 HZ3 LYS 28 HZ3 LYS 28 -9.703 -4.906 -1.268
216 H LYS 29 H LYS 29 -12.912 -2.225 -5.504
217 HA LYS 29 HA LYS 29 -13.018 0.127 -7.154
218 HB2 LYS 29 HB2 LYS 29 -13.127 -2.767 -8.045
219 HB3 LYS 29 HB3 LYS 29 -12.844 -1.344 -9.055
220 HG2 LYS 29 HG2 LYS 29 -10.917 -0.956 -7.130
221 HG3 LYS 29 HG3 LYS 29 -11.012 -2.713 -7.124
222 HD2 LYS 29 HD2 LYS 29 -10.589 -2.696 -9.595
223 HD3 LYS 29 HD3 LYS 29 -10.465 -0.933 -9.547
224 HE2 LYS 29 HE2 LYS 29 -8.586 -1.112 -7.902
225 HE3 LYS 29 HE3 LYS 29 -8.731 -2.878 -7.965
226 HZ1 LYS 29 HZ1 LYS 29 -7.950 -1.116 -10.216
227 HZ2 LYS 29 HZ2 LYS 29 -8.244 -2.722 -10.355
228 HZ3 LYS 29 HZ3 LYS 29 -6.995 -2.220 -9.416
229 H LYS 30 H LYS 30 -14.721 1.306 -7.172
230 HA LYS 30 HA LYS 30 -16.951 0.379 -8.853
231 HB2 LYS 30 HB2 LYS 30 -17.651 0.165 -6.352
232 HB3 LYS 30 HB3 LYS 30 -17.555 1.921 -6.292
233 HG2 LYS 30 HG2 LYS 30 -19.105 1.688 -8.491
234 HG3 LYS 30 HG3 LYS 30 -19.473 0.122 -7.767
235 HD2 LYS 30 HD2 LYS 30 -20.143 1.381 -5.647
236 HD3 LYS 30 HD3 LYS 30 -19.878 2.891 -6.554
237 HE2 LYS 30 HE2 LYS 30 -21.490 1.845 -8.330
238 HE3 LYS 30 HE3 LYS 30 -21.928 0.696 -7.069
239 HZ1 LYS 30 HZ1 LYS 30 -22.496 2.722 -5.681
240 HZ2 LYS 30 HZ2 LYS 30 -23.452 2.510 -7.005
241 HZ3 LYS 30 HZ3 LYS 30 -22.260 3.627 -7.043
242 H LEU 31 H LEU 31 -16.598 1.734 -10.536
243 HA LEU 31 HA LEU 31 -16.671 4.622 -10.116
244 HB2 LEU 31 HB2 LEU 31 -14.209 3.813 -10.022
245 HB3 LEU 31 HB3 LEU 31 -14.380 3.523 -11.750
246 HG LEU 31 HG LEU 31 -15.211 6.068 -11.793
247 HD11 LEU 31 HD11 LEU 31 -15.341 6.420 -9.407
248 HD12 LEU 31 HD12 LEU 31 -14.041 7.421 -10.061
249 HD13 LEU 31 HD13 LEU 31 -13.647 5.933 -9.190
250 HD21 LEU 31 HD21 LEU 31 -12.995 6.868 -12.188
251 HD22 LEU 31 HD22 LEU 31 -13.108 5.232 -12.842
252 HD23 LEU 31 HD23 LEU 31 -12.266 5.525 -11.301
253 H LEU 32 H LEU 32 -18.632 2.923 -11.241
254 HA LEU 32 HA LEU 32 -18.210 2.916 -14.192
255 HB2 LEU 32 HB2 LEU 32 -20.375 1.657 -14.202
256 HB3 LEU 32 HB3 LEU 32 -19.026 0.831 -13.447
257 HG LEU 32 HG LEU 32 -20.717 2.429 -11.525
258 HD11 LEU 32 HD11 LEU 32 -22.496 0.709 -11.469
259 HD12 LEU 32 HD12 LEU 32 -21.807 -0.044 -12.927
260 HD13 LEU 32 HD13 LEU 32 -22.478 1.597 -12.998
261 HD21 LEU 32 HD21 LEU 32 -19.698 -0.454 -11.526
262 HD22 LEU 32 HD22 LEU 32 -20.465 0.382 -10.166
263 HD23 LEU 32 HD23 LEU 32 -18.881 0.914 -10.763
Start of MODEL 7
1 H1 GLY 1 H1 GLY 1 4.541 -6.395 -1.569
2 H2 GLY 1 H2 GLY 1 3.350 -7.428 -2.027
3 H3 GLY 1 H3 GLY 1 2.967 -5.981 -1.336
4 HA2 GLY 1 HA2 GLY 1 4.240 -8.303 -0.036
5 HA3 GLY 1 HA3 GLY 1 4.121 -6.701 0.716
6 HA PRO 2 HA PRO 2 -0.361 -7.532 1.213
7 HB2 PRO 2 HB2 PRO 2 -1.053 -5.088 2.132
8 HB3 PRO 2 HB3 PRO 2 -0.232 -6.281 3.182
9 HG2 PRO 2 HG2 PRO 2 1.050 -4.007 1.618
10 HG3 PRO 2 HG3 PRO 2 1.198 -4.348 3.372
11 HD2 PRO 2 HD2 PRO 2 3.024 -5.240 1.564
12 HD3 PRO 2 HD3 PRO 2 2.588 -6.217 2.984
13 H TYR 3 H TYR 3 -2.086 -6.052 0.285
14 HA TYR 3 HA TYR 3 -1.201 -4.318 -1.935
15 HB2 TYR 3 HB2 TYR 3 -3.606 -6.142 -2.025
16 HB3 TYR 3 HB3 TYR 3 -3.341 -4.791 -3.116
17 HD1 TYR 3 HD1 TYR 3 -2.508 -8.244 -2.471
18 HD2 TYR 3 HD2 TYR 3 -1.290 -4.685 -4.585
19 HE1 TYR 3 HE1 TYR 3 -1.085 -9.621 -3.957
20 HE2 TYR 3 HE2 TYR 3 0.122 -6.064 -6.089
21 HH TYR 3 HH TYR 3 0.105 -9.617 -5.954
22 H CYS 4 H CYS 4 -4.032 -3.199 -2.175
23 HA CYS 4 HA CYS 4 -4.445 -2.218 0.597
24 HB2 CYS 4 HB2 CYS 4 -4.433 0.178 -0.399
25 HB3 CYS 4 HB3 CYS 4 -2.972 -0.612 0.145
26 H GLN 5 H GLN 5 -5.651 -1.733 -2.732
27 HA GLN 5 HA GLN 5 -8.412 -1.357 -1.970
28 HB2 GLN 5 HB2 GLN 5 -8.848 -1.453 -4.278
29 HB3 GLN 5 HB3 GLN 5 -7.315 -0.624 -4.142
30 HG2 GLN 5 HG2 GLN 5 -7.776 -3.512 -5.038
31 HG3 GLN 5 HG3 GLN 5 -7.439 -2.134 -6.048
32 HE21 GLN 5 HE21 GLN 5 -5.464 -2.280 -6.902
33 HE22 GLN 5 HE22 GLN 5 -4.055 -2.979 -6.124
34 H LYS 6 H LYS 6 -6.393 -4.136 -2.685
35 HA LYS 6 HA LYS 6 -8.626 -6.060 -2.272
36 HB2 LYS 6 HB2 LYS 6 -7.018 -6.033 -4.291
37 HB3 LYS 6 HB3 LYS 6 -5.784 -6.637 -3.184
38 HG2 LYS 6 HG2 LYS 6 -7.213 -8.639 -2.736
39 HG3 LYS 6 HG3 LYS 6 -8.464 -7.981 -3.795
40 HD2 LYS 6 HD2 LYS 6 -6.949 -8.146 -5.719
41 HD3 LYS 6 HD3 LYS 6 -5.616 -8.635 -4.666
42 HE2 LYS 6 HE2 LYS 6 -6.938 -10.639 -3.951
43 HE3 LYS 6 HE3 LYS 6 -8.223 -10.173 -5.079
44 HZ1 LYS 6 HZ1 LYS 6 -6.754 -11.805 -6.071
45 HZ2 LYS 6 HZ2 LYS 6 -5.431 -10.837 -5.820
46 HZ3 LYS 6 HZ3 LYS 6 -6.590 -10.367 -6.872
47 H TRP 7 H TRP 7 -6.809 -4.463 -0.192
48 HA TRP 7 HA TRP 7 -6.384 -6.759 1.689
49 HB2 TRP 7 HB2 TRP 7 -4.382 -5.667 0.186
50 HB3 TRP 7 HB3 TRP 7 -4.327 -4.596 1.574
51 HD1 TRP 7 HD1 TRP 7 -3.663 -5.765 3.920
52 HE1 TRP 7 HE1 TRP 7 -2.465 -7.948 4.540
53 HE3 TRP 7 HE3 TRP 7 -3.933 -8.151 -0.604
54 HZ2 TRP 7 HZ2 TRP 7 -1.781 -10.419 3.273
55 HZ3 TRP 7 HZ3 TRP 7 -2.941 -10.416 -0.872
56 HH2 TRP 7 HH2 TRP 7 -1.883 -11.563 1.049
57 H MET 8 H MET 8 -7.932 -3.898 1.270
58 HA MET 8 HA MET 8 -9.035 -2.477 2.564
59 HB2 MET 8 HB2 MET 8 -8.975 -4.815 4.488
60 HB3 MET 8 HB3 MET 8 -10.067 -3.425 4.606
61 HG2 MET 8 HG2 MET 8 -10.930 -3.912 2.318
62 HG3 MET 8 HG3 MET 8 -9.884 -5.330 2.245
63 HE1 MET 8 HE1 MET 8 -13.017 -7.400 2.549
64 HE2 MET 8 HE2 MET 8 -12.817 -5.960 1.537
65 HE3 MET 8 HE3 MET 8 -11.469 -7.104 1.734
66 H GLN 9 H GLN 9 -6.829 -1.422 2.489
67 HA GLN 9 HA GLN 9 -5.237 -1.021 4.733
68 HB2 GLN 9 HB2 GLN 9 -4.241 0.790 3.420
69 HB3 GLN 9 HB3 GLN 9 -4.535 -0.630 2.426
70 HG2 GLN 9 HG2 GLN 9 -6.401 0.335 1.322
71 HG3 GLN 9 HG3 GLN 9 -6.638 1.566 2.543
72 HE21 GLN 9 HE21 GLN 9 -3.409 2.191 2.237
73 HE22 GLN 9 HE22 GLN 9 -3.646 3.317 0.907
74 H THR 10 H THR 10 -7.833 -0.464 5.898
75 HA THR 10 HA THR 10 -8.967 1.107 7.200
76 HB THR 10 HB THR 10 -6.146 1.796 8.009
77 HG1 THR 10 HG1 THR 10 -6.334 -0.001 9.320
78 HG21 THR 10 HG21 THR 10 -8.202 2.952 9.156
79 HG22 THR 10 HG22 THR 10 -7.029 2.131 10.193
80 HG23 THR 10 HG23 THR 10 -8.567 1.351 9.793
81 H CYS 11 H CYS 11 -9.524 2.273 5.096
82 HA CYS 11 HA CYS 11 -7.955 4.633 4.446
83 HB2 CYS 11 HB2 CYS 11 -9.126 2.950 2.882
84 HB3 CYS 11 HB3 CYS 11 -10.544 3.990 3.077
85 H ASP 12 H ASP 12 -8.094 5.843 6.220
86 HA ASP 12 HA ASP 12 -10.605 7.256 6.979
87 HB2 ASP 12 HB2 ASP 12 -7.848 7.295 8.267
88 HB3 ASP 12 HB3 ASP 12 -9.369 7.819 8.981
89 H SER 13 H SER 13 -9.662 9.641 7.942
90 HA SER 13 HA SER 13 -9.298 11.392 5.812
91 HB2 SER 13 HB2 SER 13 -9.909 12.102 8.074
92 HB3 SER 13 HB3 SER 13 -8.305 11.670 8.672
93 HG SER 13 HG SER 13 -8.989 13.961 7.904
94 H GLU 14 H GLU 14 -6.649 9.882 7.701
95 HA GLU 14 HA GLU 14 -4.636 11.385 6.162
96 HB2 GLU 14 HB2 GLU 14 -4.336 9.425 8.466
97 HB3 GLU 14 HB3 GLU 14 -3.034 10.388 7.780
98 HG2 GLU 14 HG2 GLU 14 -5.489 11.415 9.253
99 HG3 GLU 14 HG3 GLU 14 -3.830 11.367 9.844
100 H ARG 15 H ARG 15 -6.183 8.473 5.491
101 HA ARG 15 HA ARG 15 -3.674 7.156 4.614
102 HB2 ARG 15 HB2 ARG 15 -6.320 6.146 5.365
103 HB3 ARG 15 HB3 ARG 15 -5.711 5.394 3.894
104 HG2 ARG 15 HG2 ARG 15 -3.943 5.685 6.367
105 HG3 ARG 15 HG3 ARG 15 -5.050 4.319 6.190
106 HD2 ARG 15 HD2 ARG 15 -4.017 3.546 4.176
107 HD3 ARG 15 HD3 ARG 15 -3.038 5.043 4.022
108 HE ARG 15 HE ARG 15 -1.560 4.286 5.650
109 HH11 ARG 15 HH11 ARG 15 -4.327 2.074 5.703
110 HH12 ARG 15 HH12 ARG 15 -3.518 1.009 6.817
111 HH21 ARG 15 HH21 ARG 15 -0.709 3.012 7.036
112 HH22 ARG 15 HH22 ARG 15 -1.577 1.600 7.667
113 H LYS 16 H LYS 16 -3.265 6.380 2.634
114 HA LYS 16 HA LYS 16 -4.103 8.198 0.439
115 HB2 LYS 16 HB2 LYS 16 -1.690 6.381 0.833
116 HB3 LYS 16 HB3 LYS 16 -1.977 7.377 -0.589
117 HG2 LYS 16 HG2 LYS 16 -1.904 9.418 0.728
118 HG3 LYS 16 HG3 LYS 16 -1.800 8.514 2.243
119 HD2 LYS 16 HD2 LYS 16 0.390 7.637 1.663
120 HD3 LYS 16 HD3 LYS 16 0.278 8.354 0.046
121 HE2 LYS 16 HE2 LYS 16 1.708 9.702 1.458
122 HE3 LYS 16 HE3 LYS 16 0.284 10.606 0.963
123 HZ1 LYS 16 HZ1 LYS 16 0.793 10.952 3.263
124 HZ2 LYS 16 HZ2 LYS 16 0.672 9.367 3.642
125 HZ3 LYS 16 HZ3 LYS 16 -0.664 10.224 3.151
126 H CYS 17 H CYS 17 -5.767 7.457 -0.708
127 HA CYS 17 HA CYS 17 -6.552 4.713 -0.571
128 HB2 CYS 17 HB2 CYS 17 -7.998 6.795 -0.774
129 HB3 CYS 17 HB3 CYS 17 -7.620 6.783 -2.488
130 H CYS 18 H CYS 18 -4.951 3.501 -1.337
131 HA CYS 18 HA CYS 18 -3.458 2.565 -2.958
132 HB2 CYS 18 HB2 CYS 18 -5.441 1.299 -1.929
133 HB3 CYS 18 HB3 CYS 18 -6.233 1.452 -3.478
134 H GLU 19 H GLU 19 -6.513 3.047 -4.745
135 HA GLU 19 HA GLU 19 -5.027 3.556 -7.263
136 HB2 GLU 19 HB2 GLU 19 -7.036 1.325 -6.779
137 HB3 GLU 19 HB3 GLU 19 -6.650 1.936 -8.404
138 HG2 GLU 19 HG2 GLU 19 -4.255 1.547 -8.011
139 HG3 GLU 19 HG3 GLU 19 -4.609 0.838 -6.437
140 H GLY 20 H GLY 20 -6.341 5.387 -5.511
141 HA2 GLY 20 HA2 GLY 20 -7.588 7.255 -5.739
142 HA3 GLY 20 HA3 GLY 20 -7.681 6.936 -7.470
143 H MET 21 H MET 21 -8.989 4.707 -5.066
144 HA MET 21 HA MET 21 -11.671 4.907 -6.286
145 HB2 MET 21 HB2 MET 21 -10.583 2.951 -4.229
146 HB3 MET 21 HB3 MET 21 -12.106 2.813 -5.095
147 HG2 MET 21 HG2 MET 21 -9.413 2.833 -6.500
148 HG3 MET 21 HG3 MET 21 -10.216 1.378 -5.950
149 HE1 MET 21 HE1 MET 21 -9.286 2.508 -9.082
150 HE2 MET 21 HE2 MET 21 -9.605 0.830 -8.607
151 HE3 MET 21 HE3 MET 21 -10.495 1.562 -9.963
152 H VAL 22 H VAL 22 -13.363 4.190 -4.343
153 HA VAL 22 HA VAL 22 -13.864 6.521 -2.708
154 HB VAL 22 HB VAL 22 -15.041 3.717 -2.761
155 HG11 VAL 22 HG11 VAL 22 -16.885 4.656 -1.372
156 HG12 VAL 22 HG12 VAL 22 -15.369 4.559 -0.482
157 HG13 VAL 22 HG13 VAL 22 -15.922 6.129 -1.135
158 HG21 VAL 22 HG21 VAL 22 -16.999 4.951 -3.711
159 HG22 VAL 22 HG22 VAL 22 -16.057 6.451 -3.670
160 HG23 VAL 22 HG23 VAL 22 -15.551 5.117 -4.717
161 H CYS 23 H CYS 23 -13.056 6.995 -0.738
162 HA CYS 23 HA CYS 23 -11.526 4.927 0.766
163 HB2 CYS 23 HB2 CYS 23 -10.399 6.943 -0.172
164 HB3 CYS 23 HB3 CYS 23 -11.394 7.940 0.871
165 H ARG 24 H ARG 24 -13.381 3.995 1.735
166 HA ARG 24 HA ARG 24 -14.218 5.373 4.238
167 HB2 ARG 24 HB2 ARG 24 -16.159 4.122 2.240
168 HB3 ARG 24 HB3 ARG 24 -16.487 4.205 3.959
169 HG2 ARG 24 HG2 ARG 24 -17.560 6.112 3.368
170 HG3 ARG 24 HG3 ARG 24 -15.957 6.790 3.698
171 HD2 ARG 24 HD2 ARG 24 -15.477 6.458 1.185
172 HD3 ARG 24 HD3 ARG 24 -17.188 6.060 0.998
173 HE ARG 24 HE ARG 24 -16.490 8.537 2.464
174 HH11 ARG 24 HH11 ARG 24 -17.779 7.389 -0.688
175 HH12 ARG 24 HH12 ARG 24 -18.220 9.013 -1.067
176 HH21 ARG 24 HH21 ARG 24 -17.081 10.379 1.835
177 HH22 ARG 24 HH22 ARG 24 -17.594 10.712 0.178
178 H LEU 25 H LEU 25 -13.146 4.214 5.647
179 HA LEU 25 HA LEU 25 -12.219 2.533 6.826
180 HB2 LEU 25 HB2 LEU 25 -14.420 0.764 5.671
181 HB3 LEU 25 HB3 LEU 25 -13.266 0.303 6.904
182 HG LEU 25 HG LEU 25 -14.174 2.292 8.285
183 HD11 LEU 25 HD11 LEU 25 -16.516 2.867 7.915
184 HD12 LEU 25 HD12 LEU 25 -16.564 1.852 6.424
185 HD13 LEU 25 HD13 LEU 25 -15.607 3.331 6.509
186 HD21 LEU 25 HD21 LEU 25 -15.922 0.877 9.224
187 HD22 LEU 25 HD22 LEU 25 -14.516 -0.096 8.806
188 HD23 LEU 25 HD23 LEU 25 -15.938 -0.131 7.745
189 H TRP 26 H TRP 26 -12.632 1.812 3.419
190 HA TRP 26 HA TRP 26 -9.889 0.784 3.214
191 HB2 TRP 26 HB2 TRP 26 -11.121 -1.120 1.731
192 HB3 TRP 26 HB3 TRP 26 -10.625 -1.284 3.400
193 HD1 TRP 26 HD1 TRP 26 -12.325 -2.013 5.103
194 HE1 TRP 26 HE1 TRP 26 -14.878 -2.232 5.246
195 HE3 TRP 26 HE3 TRP 26 -13.584 0.435 0.791
196 HZ2 TRP 26 HZ2 TRP 26 -17.160 -1.375 3.733
197 HZ3 TRP 26 HZ3 TRP 26 -15.960 0.753 0.192
198 HH2 TRP 26 HH2 TRP 26 -17.753 -0.191 1.618
199 H CYS 27 H CYS 27 -9.430 0.329 0.774
200 HA CYS 27 HA CYS 27 -10.644 2.534 -0.822
201 HB2 CYS 27 HB2 CYS 27 -8.236 2.730 -0.195
202 HB3 CYS 27 HB3 CYS 27 -7.916 1.301 -1.182
203 H LYS 28 H LYS 28 -12.235 0.368 -0.776
204 HA LYS 28 HA LYS 28 -11.577 -1.790 -2.580
205 HB2 LYS 28 HB2 LYS 28 -14.255 -0.763 -1.562
206 HB3 LYS 28 HB3 LYS 28 -14.104 -2.193 -2.560
207 HG2 LYS 28 HG2 LYS 28 -12.732 -1.870 0.126
208 HG3 LYS 28 HG3 LYS 28 -14.325 -2.585 -0.063
209 HD2 LYS 28 HD2 LYS 28 -11.828 -3.730 -1.376
210 HD3 LYS 28 HD3 LYS 28 -12.370 -4.138 0.236
211 HE2 LYS 28 HE2 LYS 28 -13.240 -5.881 -0.975
212 HE3 LYS 28 HE3 LYS 28 -14.629 -4.813 -0.816
213 HZ1 LYS 28 HZ1 LYS 28 -14.293 -4.115 -3.124
214 HZ2 LYS 28 HZ2 LYS 28 -14.322 -5.717 -3.075
215 HZ3 LYS 28 HZ3 LYS 28 -12.888 -4.905 -3.240
216 H LYS 29 H LYS 29 -12.041 -2.153 -4.709
217 HA LYS 29 HA LYS 29 -11.995 0.136 -6.410
218 HB2 LYS 29 HB2 LYS 29 -12.481 -2.778 -7.102
219 HB3 LYS 29 HB3 LYS 29 -12.226 -1.492 -8.294
220 HG2 LYS 29 HG2 LYS 29 -9.996 -0.994 -7.289
221 HG3 LYS 29 HG3 LYS 29 -10.255 -2.260 -6.096
222 HD2 LYS 29 HD2 LYS 29 -8.798 -3.153 -7.711
223 HD3 LYS 29 HD3 LYS 29 -10.357 -3.949 -7.932
224 HE2 LYS 29 HE2 LYS 29 -10.813 -2.529 -9.906
225 HE3 LYS 29 HE3 LYS 29 -9.326 -1.608 -9.602
226 HZ1 LYS 29 HZ1 LYS 29 -8.917 -3.252 -11.298
227 HZ2 LYS 29 HZ2 LYS 29 -9.455 -4.489 -10.344
228 HZ3 LYS 29 HZ3 LYS 29 -8.077 -3.673 -9.986
229 H LYS 30 H LYS 30 -13.486 1.321 -7.412
230 HA LYS 30 HA LYS 30 -16.361 0.570 -7.284
231 HB2 LYS 30 HB2 LYS 30 -15.263 1.673 -5.065
232 HB3 LYS 30 HB3 LYS 30 -15.501 3.151 -5.964
233 HG2 LYS 30 HG2 LYS 30 -17.492 2.932 -4.711
234 HG3 LYS 30 HG3 LYS 30 -17.958 2.325 -6.289
235 HD2 LYS 30 HD2 LYS 30 -18.827 0.689 -4.821
236 HD3 LYS 30 HD3 LYS 30 -17.312 -0.040 -5.338
237 HE2 LYS 30 HE2 LYS 30 -17.230 -0.357 -3.026
238 HE3 LYS 30 HE3 LYS 30 -16.278 1.122 -3.224
239 HZ1 LYS 30 HZ1 LYS 30 -17.886 1.544 -1.470
240 HZ2 LYS 30 HZ2 LYS 30 -19.102 0.880 -2.337
241 HZ3 LYS 30 HZ3 LYS 30 -18.494 2.317 -2.761
242 H LEU 31 H LEU 31 -14.764 1.030 -9.607
243 HA LEU 31 HA LEU 31 -15.574 3.755 -10.530
244 HB2 LEU 31 HB2 LEU 31 -13.383 3.701 -9.402
245 HB3 LEU 31 HB3 LEU 31 -12.828 2.465 -10.531
246 HG LEU 31 HG LEU 31 -12.920 4.093 -12.389
247 HD11 LEU 31 HD11 LEU 31 -14.679 5.601 -11.779
248 HD12 LEU 31 HD12 LEU 31 -13.203 6.544 -11.721
249 HD13 LEU 31 HD13 LEU 31 -13.953 5.966 -10.209
250 HD21 LEU 31 HD21 LEU 31 -11.078 5.566 -11.499
251 HD22 LEU 31 HD22 LEU 31 -10.864 3.854 -11.129
252 HD23 LEU 31 HD23 LEU 31 -11.418 4.925 -9.861
253 H LEU 32 H LEU 32 -15.918 4.070 -12.655
254 HA LEU 32 HA LEU 32 -15.361 1.825 -14.620
255 HB2 LEU 32 HB2 LEU 32 -17.160 4.311 -14.688
256 HB3 LEU 32 HB3 LEU 32 -16.841 3.310 -16.110
257 HG LEU 32 HG LEU 32 -17.992 2.151 -13.518
258 HD11 LEU 32 HD11 LEU 32 -19.499 3.924 -14.296
259 HD12 LEU 32 HD12 LEU 32 -20.214 2.337 -14.612
260 HD13 LEU 32 HD13 LEU 32 -19.481 3.258 -15.943
261 HD21 LEU 32 HD21 LEU 32 -18.096 1.177 -16.420
262 HD22 LEU 32 HD22 LEU 32 -18.808 0.368 -15.007
263 HD23 LEU 32 HD23 LEU 32 -17.052 0.502 -15.161
Start of MODEL 8
1 H1 GLY 1 H1 GLY 1 3.973 -8.812 -2.925
2 H2 GLY 1 H2 GLY 1 3.838 -7.974 -4.340
3 H3 GLY 1 H3 GLY 1 5.181 -7.790 -3.393
4 HA2 GLY 1 HA2 GLY 1 3.919 -6.819 -1.641
5 HA3 GLY 1 HA3 GLY 1 3.798 -5.892 -3.147
6 HA PRO 2 HA PRO 2 -0.584 -7.377 -2.084
7 HB2 PRO 2 HB2 PRO 2 -1.279 -6.663 0.443
8 HB3 PRO 2 HB3 PRO 2 -0.514 -8.239 0.088
9 HG2 PRO 2 HG2 PRO 2 0.826 -5.693 1.053
10 HG3 PRO 2 HG3 PRO 2 0.976 -7.340 1.746
11 HD2 PRO 2 HD2 PRO 2 2.781 -6.303 -0.041
12 HD3 PRO 2 HD3 PRO 2 2.377 -8.047 0.001
13 H TYR 3 H TYR 3 -2.342 -5.648 -1.311
14 HA TYR 3 HA TYR 3 -1.447 -2.960 -2.286
15 HB2 TYR 3 HB2 TYR 3 -3.980 -4.185 -3.332
16 HB3 TYR 3 HB3 TYR 3 -2.865 -3.103 -4.116
17 HD1 TYR 3 HD1 TYR 3 -3.477 -6.657 -3.154
18 HD2 TYR 3 HD2 TYR 3 -1.139 -3.976 -5.595
19 HE1 TYR 3 HE1 TYR 3 -2.536 -8.603 -4.387
20 HE2 TYR 3 HE2 TYR 3 -0.214 -5.935 -6.825
21 HH TYR 3 HH TYR 3 -0.635 -8.198 -7.289
22 H CYS 4 H CYS 4 -2.355 -1.453 -1.120
23 HA CYS 4 HA CYS 4 -3.917 -1.340 1.046
24 HB2 CYS 4 HB2 CYS 4 -4.722 0.788 -0.766
25 HB3 CYS 4 HB3 CYS 4 -3.703 0.825 0.651
26 H GLN 5 H GLN 5 -5.255 -1.291 -2.264
27 HA GLN 5 HA GLN 5 -8.020 -1.117 -1.520
28 HB2 GLN 5 HB2 GLN 5 -7.180 -0.317 -3.627
29 HB3 GLN 5 HB3 GLN 5 -6.568 -1.897 -4.084
30 HG2 GLN 5 HG2 GLN 5 -9.537 -1.611 -3.592
31 HG3 GLN 5 HG3 GLN 5 -8.853 -0.872 -5.027
32 HE21 GLN 5 HE21 GLN 5 -7.530 -2.329 -6.481
33 HE22 GLN 5 HE22 GLN 5 -8.129 -3.994 -6.658
34 H LYS 6 H LYS 6 -6.100 -3.863 -2.719
35 HA LYS 6 HA LYS 6 -8.165 -5.824 -2.271
36 HB2 LYS 6 HB2 LYS 6 -5.619 -5.642 -3.646
37 HB3 LYS 6 HB3 LYS 6 -5.681 -7.138 -2.711
38 HG2 LYS 6 HG2 LYS 6 -7.685 -7.843 -3.795
39 HG3 LYS 6 HG3 LYS 6 -7.981 -6.232 -4.457
40 HD2 LYS 6 HD2 LYS 6 -6.190 -6.395 -6.029
41 HD3 LYS 6 HD3 LYS 6 -5.564 -7.860 -5.267
42 HE2 LYS 6 HE2 LYS 6 -6.796 -8.401 -7.331
43 HE3 LYS 6 HE3 LYS 6 -7.544 -9.126 -5.906
44 HZ1 LYS 6 HZ1 LYS 6 -9.244 -8.137 -7.283
45 HZ2 LYS 6 HZ2 LYS 6 -8.503 -6.670 -7.284
46 HZ3 LYS 6 HZ3 LYS 6 -9.159 -7.277 -5.905
47 H TRP 7 H TRP 7 -6.411 -4.402 0.088
48 HA TRP 7 HA TRP 7 -7.108 -6.677 1.845
49 HB2 TRP 7 HB2 TRP 7 -4.428 -5.443 1.603
50 HB3 TRP 7 HB3 TRP 7 -4.967 -5.807 3.221
51 HD1 TRP 7 HD1 TRP 7 -3.678 -7.538 0.151
52 HE1 TRP 7 HE1 TRP 7 -3.550 -10.084 0.551
53 HE3 TRP 7 HE3 TRP 7 -6.603 -7.842 4.319
54 HZ2 TRP 7 HZ2 TRP 7 -4.513 -11.978 2.487
55 HZ3 TRP 7 HZ3 TRP 7 -7.045 -10.053 5.390
56 HH2 TRP 7 HH2 TRP 7 -5.963 -12.110 4.512
57 H MET 8 H MET 8 -8.346 -3.878 1.290
58 HA MET 8 HA MET 8 -9.620 -2.453 2.533
59 HB2 MET 8 HB2 MET 8 -9.733 -4.824 4.438
60 HB3 MET 8 HB3 MET 8 -10.766 -3.405 4.513
61 HG2 MET 8 HG2 MET 8 -11.400 -3.924 2.070
62 HG3 MET 8 HG3 MET 8 -10.681 -5.510 2.343
63 HE1 MET 8 HE1 MET 8 -13.965 -5.057 1.579
64 HE2 MET 8 HE2 MET 8 -14.900 -4.511 2.986
65 HE3 MET 8 HE3 MET 8 -13.667 -3.457 2.280
66 H GLN 9 H GLN 9 -7.288 -1.517 2.690
67 HA GLN 9 HA GLN 9 -5.697 -1.401 4.879
68 HB2 GLN 9 HB2 GLN 9 -4.781 0.594 3.813
69 HB3 GLN 9 HB3 GLN 9 -5.188 -0.626 2.626
70 HG2 GLN 9 HG2 GLN 9 -7.230 0.553 1.974
71 HG3 GLN 9 HG3 GLN 9 -7.078 1.671 3.329
72 HE21 GLN 9 HE21 GLN 9 -4.146 2.262 2.984
73 HE22 GLN 9 HE22 GLN 9 -4.293 3.391 1.630
74 H THR 10 H THR 10 -8.691 -0.355 5.694
75 HA THR 10 HA THR 10 -9.659 1.458 6.757
76 HB THR 10 HB THR 10 -7.014 1.974 8.122
77 HG1 THR 10 HG1 THR 10 -7.127 0.065 8.826
78 HG21 THR 10 HG21 THR 10 -9.938 2.114 8.981
79 HG22 THR 10 HG22 THR 10 -8.903 3.511 8.618
80 HG23 THR 10 HG23 THR 10 -8.518 2.476 9.991
81 H CYS 11 H CYS 11 -9.808 2.506 4.590
82 HA CYS 11 HA CYS 11 -7.835 4.528 3.911
83 HB2 CYS 11 HB2 CYS 11 -9.164 3.120 2.322
84 HB3 CYS 11 HB3 CYS 11 -10.560 4.142 2.709
85 H ASP 12 H ASP 12 -7.858 5.676 5.913
86 HA ASP 12 HA ASP 12 -10.070 7.379 6.712
87 HB2 ASP 12 HB2 ASP 12 -7.125 7.312 7.448
88 HB3 ASP 12 HB3 ASP 12 -8.283 8.443 8.144
89 H SER 13 H SER 13 -10.003 9.743 6.846
90 HA SER 13 HA SER 13 -9.580 11.024 4.334
91 HB2 SER 13 HB2 SER 13 -11.121 11.694 6.221
92 HB3 SER 13 HB3 SER 13 -9.716 12.332 7.079
93 HG SER 13 HG SER 13 -9.391 13.775 5.350
94 H GLU 14 H GLU 14 -7.276 10.268 6.808
95 HA GLU 14 HA GLU 14 -5.197 11.996 5.522
96 HB2 GLU 14 HB2 GLU 14 -5.005 10.512 8.146
97 HB3 GLU 14 HB3 GLU 14 -3.847 11.643 7.456
98 HG2 GLU 14 HG2 GLU 14 -5.520 13.482 7.709
99 HG3 GLU 14 HG3 GLU 14 -6.624 12.345 8.484
100 H ARG 15 H ARG 15 -6.304 9.241 4.496
101 HA ARG 15 HA ARG 15 -3.704 7.746 4.500
102 HB2 ARG 15 HB2 ARG 15 -5.611 6.726 5.764
103 HB3 ARG 15 HB3 ARG 15 -6.531 6.715 4.275
104 HG2 ARG 15 HG2 ARG 15 -5.711 4.489 4.765
105 HG3 ARG 15 HG3 ARG 15 -5.068 5.087 3.252
106 HD2 ARG 15 HD2 ARG 15 -3.424 3.850 4.741
107 HD3 ARG 15 HD3 ARG 15 -2.892 5.492 4.266
108 HE ARG 15 HE ARG 15 -3.056 6.184 6.474
109 HH11 ARG 15 HH11 ARG 15 -4.893 3.063 6.459
110 HH12 ARG 15 HH12 ARG 15 -5.174 3.335 8.155
111 HH21 ARG 15 HH21 ARG 15 -3.479 6.210 8.468
112 HH22 ARG 15 HH22 ARG 15 -4.438 4.919 9.223
113 H LYS 16 H LYS 16 -2.795 7.151 2.666
114 HA LYS 16 HA LYS 16 -3.705 8.038 0.037
115 HB2 LYS 16 HB2 LYS 16 -1.548 6.004 0.732
116 HB3 LYS 16 HB3 LYS 16 -1.723 6.875 -0.781
117 HG2 LYS 16 HG2 LYS 16 -1.045 8.149 1.878
118 HG3 LYS 16 HG3 LYS 16 0.134 7.626 0.687
119 HD2 LYS 16 HD2 LYS 16 -0.467 9.315 -0.857
120 HD3 LYS 16 HD3 LYS 16 -1.970 9.686 0.011
121 HE2 LYS 16 HE2 LYS 16 -0.736 10.514 1.949
122 HE3 LYS 16 HE3 LYS 16 0.806 10.034 1.225
123 HZ1 LYS 16 HZ1 LYS 16 -1.009 12.050 0.030
124 HZ2 LYS 16 HZ2 LYS 16 0.488 11.647 -0.481
125 HZ3 LYS 16 HZ3 LYS 16 0.334 12.413 0.947
126 H CYS 17 H CYS 17 -4.131 6.575 -1.798
127 HA CYS 17 HA CYS 17 -4.521 3.729 -1.073
128 HB2 CYS 17 HB2 CYS 17 -6.726 4.487 -0.853
129 HB3 CYS 17 HB3 CYS 17 -6.669 5.402 -2.351
130 H CYS 18 H CYS 18 -4.178 2.261 -2.555
131 HA CYS 18 HA CYS 18 -2.121 2.437 -4.360
132 HB2 CYS 18 HB2 CYS 18 -4.489 0.550 -4.094
133 HB3 CYS 18 HB3 CYS 18 -3.234 0.281 -5.285
134 H GLU 19 H GLU 19 -5.557 2.827 -5.138
135 HA GLU 19 HA GLU 19 -4.787 3.998 -7.769
136 HB2 GLU 19 HB2 GLU 19 -7.267 3.266 -8.366
137 HB3 GLU 19 HB3 GLU 19 -5.872 2.332 -8.778
138 HG2 GLU 19 HG2 GLU 19 -7.353 1.760 -6.186
139 HG3 GLU 19 HG3 GLU 19 -8.004 1.220 -7.729
140 H GLY 20 H GLY 20 -6.900 4.270 -4.924
141 HA2 GLY 20 HA2 GLY 20 -7.484 6.400 -4.022
142 HA3 GLY 20 HA3 GLY 20 -7.236 7.148 -5.592
143 H MET 21 H MET 21 -9.319 4.700 -4.019
144 HA MET 21 HA MET 21 -11.592 5.455 -5.812
145 HB2 MET 21 HB2 MET 21 -11.124 2.754 -4.528
146 HB3 MET 21 HB3 MET 21 -12.236 3.185 -5.839
147 HG2 MET 21 HG2 MET 21 -9.217 3.012 -5.946
148 HG3 MET 21 HG3 MET 21 -10.370 1.954 -6.722
149 HE1 MET 21 HE1 MET 21 -11.807 4.439 -9.528
150 HE2 MET 21 HE2 MET 21 -12.041 2.855 -8.766
151 HE3 MET 21 HE3 MET 21 -12.472 4.349 -7.886
152 H VAL 22 H VAL 22 -13.551 3.863 -4.365
153 HA VAL 22 HA VAL 22 -14.397 5.830 -2.472
154 HB VAL 22 HB VAL 22 -15.449 2.995 -2.598
155 HG11 VAL 22 HG11 VAL 22 -16.244 4.399 -0.686
156 HG12 VAL 22 HG12 VAL 22 -16.723 5.663 -1.830
157 HG13 VAL 22 HG13 VAL 22 -17.524 4.066 -1.841
158 HG21 VAL 22 HG21 VAL 22 -15.518 3.850 -4.883
159 HG22 VAL 22 HG22 VAL 22 -17.143 3.901 -4.194
160 HG23 VAL 22 HG23 VAL 22 -16.194 5.397 -4.325
161 H CYS 23 H CYS 23 -14.181 6.016 -0.333
162 HA CYS 23 HA CYS 23 -12.065 4.343 0.936
163 HB2 CYS 23 HB2 CYS 23 -11.193 6.096 -0.513
164 HB3 CYS 23 HB3 CYS 23 -12.196 7.300 0.279
165 H ARG 24 H ARG 24 -13.357 3.589 2.622
166 HA ARG 24 HA ARG 24 -13.203 5.155 5.031
167 HB2 ARG 24 HB2 ARG 24 -15.959 3.910 4.760
168 HB3 ARG 24 HB3 ARG 24 -15.339 5.010 5.947
169 HG2 ARG 24 HG2 ARG 24 -16.957 6.208 4.848
170 HG3 ARG 24 HG3 ARG 24 -15.476 6.843 4.130
171 HD2 ARG 24 HD2 ARG 24 -15.837 5.295 2.153
172 HD3 ARG 24 HD3 ARG 24 -17.181 4.532 3.007
173 HE ARG 24 HE ARG 24 -18.544 6.310 2.484
174 HH11 ARG 24 HH11 ARG 24 -15.225 7.433 2.034
175 HH12 ARG 24 HH12 ARG 24 -15.761 8.856 1.173
176 HH21 ARG 24 HH21 ARG 24 -19.099 8.160 1.569
177 HH22 ARG 24 HH22 ARG 24 -17.914 9.325 0.996
178 H LEU 25 H LEU 25 -12.540 3.566 6.543
179 HA LEU 25 HA LEU 25 -11.880 1.581 7.392
180 HB2 LEU 25 HB2 LEU 25 -14.566 0.585 6.375
181 HB3 LEU 25 HB3 LEU 25 -13.474 -0.305 7.416
182 HG LEU 25 HG LEU 25 -13.646 1.631 9.089
183 HD11 LEU 25 HD11 LEU 25 -15.871 2.836 8.996
184 HD12 LEU 25 HD12 LEU 25 -16.057 2.280 7.321
185 HD13 LEU 25 HD13 LEU 25 -14.736 3.385 7.780
186 HD21 LEU 25 HD21 LEU 25 -14.701 -0.556 9.415
187 HD22 LEU 25 HD22 LEU 25 -16.114 -0.030 8.469
188 HD23 LEU 25 HD23 LEU 25 -15.733 0.742 10.024
189 H TRP 26 H TRP 26 -12.532 1.501 4.025
190 HA TRP 26 HA TRP 26 -10.289 -0.275 3.378
191 HB2 TRP 26 HB2 TRP 26 -11.996 -1.316 1.666
192 HB3 TRP 26 HB3 TRP 26 -11.910 -1.890 3.308
193 HD1 TRP 26 HD1 TRP 26 -13.954 -1.913 4.750
194 HE1 TRP 26 HE1 TRP 26 -16.329 -0.981 4.680
195 HE3 TRP 26 HE3 TRP 26 -13.583 1.019 0.548
196 HZ2 TRP 26 HZ2 TRP 26 -17.887 0.767 3.024
197 HZ3 TRP 26 HZ3 TRP 26 -15.515 2.325 -0.212
198 HH2 TRP 26 HH2 TRP 26 -17.675 2.254 1.029
199 H CYS 27 H CYS 27 -9.926 -0.194 0.937
200 HA CYS 27 HA CYS 27 -11.067 2.227 -0.338
201 HB2 CYS 27 HB2 CYS 27 -8.655 2.572 0.064
202 HB3 CYS 27 HB3 CYS 27 -8.310 1.117 -0.868
203 H LYS 28 H LYS 28 -12.388 1.620 -2.011
204 HA LYS 28 HA LYS 28 -12.064 -1.102 -3.235
205 HB2 LYS 28 HB2 LYS 28 -14.627 0.042 -2.067
206 HB3 LYS 28 HB3 LYS 28 -14.524 -1.441 -3.003
207 HG2 LYS 28 HG2 LYS 28 -13.142 -0.981 -0.333
208 HG3 LYS 28 HG3 LYS 28 -14.693 -1.770 -0.527
209 HD2 LYS 28 HD2 LYS 28 -12.053 -2.798 -1.650
210 HD3 LYS 28 HD3 LYS 28 -12.807 -3.316 -0.142
211 HE2 LYS 28 HE2 LYS 28 -14.843 -4.025 -1.477
212 HE3 LYS 28 HE3 LYS 28 -13.922 -3.673 -2.951
213 HZ1 LYS 28 HZ1 LYS 28 -13.214 -5.703 -0.891
214 HZ2 LYS 28 HZ2 LYS 28 -12.240 -5.278 -2.138
215 HZ3 LYS 28 HZ3 LYS 28 -13.696 -5.983 -2.427
216 H LYS 29 H LYS 29 -12.620 -1.309 -5.331
217 HA LYS 29 HA LYS 29 -12.737 1.149 -6.902
218 HB2 LYS 29 HB2 LYS 29 -12.444 -1.787 -7.526
219 HB3 LYS 29 HB3 LYS 29 -13.014 -0.694 -8.793
220 HG2 LYS 29 HG2 LYS 29 -11.065 0.735 -8.562
221 HG3 LYS 29 HG3 LYS 29 -10.487 -0.190 -7.174
222 HD2 LYS 29 HD2 LYS 29 -9.277 -0.598 -9.344
223 HD3 LYS 29 HD3 LYS 29 -9.849 -2.024 -8.486
224 HE2 LYS 29 HE2 LYS 29 -10.184 -2.248 -10.888
225 HE3 LYS 29 HE3 LYS 29 -11.708 -2.308 -10.007
226 HZ1 LYS 29 HZ1 LYS 29 -12.409 -0.773 -11.410
227 HZ2 LYS 29 HZ2 LYS 29 -10.904 -0.494 -12.037
228 HZ3 LYS 29 HZ3 LYS 29 -11.370 0.346 -10.748
229 H LYS 30 H LYS 30 -14.362 2.087 -7.881
230 HA LYS 30 HA LYS 30 -16.943 0.776 -8.303
231 HB2 LYS 30 HB2 LYS 30 -16.694 1.795 -5.816
232 HB3 LYS 30 HB3 LYS 30 -17.087 3.289 -6.645
233 HG2 LYS 30 HG2 LYS 30 -19.185 2.511 -6.032
234 HG3 LYS 30 HG3 LYS 30 -19.074 1.885 -7.680
235 HD2 LYS 30 HD2 LYS 30 -18.100 -0.260 -6.522
236 HD3 LYS 30 HD3 LYS 30 -18.737 0.419 -5.026
237 HE2 LYS 30 HE2 LYS 30 -20.297 -0.253 -7.554
238 HE3 LYS 30 HE3 LYS 30 -20.267 -1.225 -6.081
239 HZ1 LYS 30 HZ1 LYS 30 -22.245 0.075 -6.171
240 HZ2 LYS 30 HZ2 LYS 30 -21.440 1.482 -6.399
241 HZ3 LYS 30 HZ3 LYS 30 -21.339 0.724 -4.950
242 H LEU 31 H LEU 31 -15.256 1.535 -10.226
243 HA LEU 31 HA LEU 31 -16.391 3.962 -11.447
244 HB2 LEU 31 HB2 LEU 31 -14.429 4.650 -9.994
245 HB3 LEU 31 HB3 LEU 31 -13.419 3.609 -11.001
246 HG LEU 31 HG LEU 31 -14.235 5.057 -13.009
247 HD11 LEU 31 HD11 LEU 31 -14.905 7.345 -12.450
248 HD12 LEU 31 HD12 LEU 31 -14.895 6.957 -10.706
249 HD13 LEU 31 HD13 LEU 31 -16.083 6.213 -11.788
250 HD21 LEU 31 HD21 LEU 31 -12.476 6.316 -10.866
251 HD22 LEU 31 HD22 LEU 31 -12.513 6.737 -12.604
252 HD23 LEU 31 HD23 LEU 31 -11.957 5.147 -12.093
253 H LEU 32 H LEU 32 -16.674 3.729 -13.576
254 HA LEU 32 HA LEU 32 -15.789 1.347 -15.004
255 HB2 LEU 32 HB2 LEU 32 -17.049 2.324 -16.847
256 HB3 LEU 32 HB3 LEU 32 -17.938 2.533 -15.344
257 HG LEU 32 HG LEU 32 -16.704 4.945 -15.308
258 HD11 LEU 32 HD11 LEU 32 -15.324 4.704 -17.351
259 HD12 LEU 32 HD12 LEU 32 -16.590 5.877 -17.615
260 HD13 LEU 32 HD13 LEU 32 -16.762 4.250 -18.290
261 HD21 LEU 32 HD21 LEU 32 -18.664 5.865 -16.499
262 HD22 LEU 32 HD22 LEU 32 -19.132 4.575 -15.388
263 HD23 LEU 32 HD23 LEU 32 -19.048 4.249 -17.130
Start of MODEL 9
1 H1 GLY 1 H1 GLY 1 4.508 -8.378 -4.193
2 H2 GLY 1 H2 GLY 1 4.009 -8.060 -2.658
3 H3 GLY 1 H3 GLY 1 2.895 -8.287 -3.871
4 HA2 GLY 1 HA2 GLY 1 4.803 -6.063 -3.717
5 HA3 GLY 1 HA3 GLY 1 3.569 -6.306 -4.974
6 HA PRO 2 HA PRO 2 1.571 -3.551 -1.994
7 HB2 PRO 2 HB2 PRO 2 -0.570 -2.763 -3.551
8 HB3 PRO 2 HB3 PRO 2 1.081 -2.079 -3.634
9 HG2 PRO 2 HG2 PRO 2 -0.146 -4.226 -5.384
10 HG3 PRO 2 HG3 PRO 2 0.819 -2.802 -5.877
11 HD2 PRO 2 HD2 PRO 2 1.912 -5.273 -5.643
12 HD3 PRO 2 HD3 PRO 2 2.832 -3.815 -5.160
13 H TYR 3 H TYR 3 0.450 -4.196 -0.356
14 HA TYR 3 HA TYR 3 -2.131 -5.557 -0.758
15 HB2 TYR 3 HB2 TYR 3 -0.101 -6.290 1.292
16 HB3 TYR 3 HB3 TYR 3 -1.814 -6.560 1.557
17 HD1 TYR 3 HD1 TYR 3 -3.174 -7.824 -0.260
18 HD2 TYR 3 HD2 TYR 3 1.125 -7.952 0.089
19 HE1 TYR 3 HE1 TYR 3 -3.136 -9.976 -1.508
20 HE2 TYR 3 HE2 TYR 3 1.151 -10.119 -1.139
21 HH TYR 3 HH TYR 3 -0.270 -11.950 -1.689
22 H CYS 4 H CYS 4 -2.826 -3.435 -1.100
23 HA CYS 4 HA CYS 4 -3.532 -2.040 1.426
24 HB2 CYS 4 HB2 CYS 4 -3.104 0.084 0.171
25 HB3 CYS 4 HB3 CYS 4 -1.698 -0.863 0.611
26 H GLN 5 H GLN 5 -4.380 -1.446 -2.058
27 HA GLN 5 HA GLN 5 -7.154 -1.023 -1.401
28 HB2 GLN 5 HB2 GLN 5 -7.612 -0.934 -3.703
29 HB3 GLN 5 HB3 GLN 5 -6.090 -0.121 -3.460
30 HG2 GLN 5 HG2 GLN 5 -6.450 -2.925 -4.642
31 HG3 GLN 5 HG3 GLN 5 -6.214 -1.465 -5.544
32 HE21 GLN 5 HE21 GLN 5 -4.132 -0.756 -5.990
33 HE22 GLN 5 HE22 GLN 5 -2.707 -1.508 -5.297
34 H LYS 6 H LYS 6 -5.467 -3.831 -2.808
35 HA LYS 6 HA LYS 6 -7.675 -5.644 -2.642
36 HB2 LYS 6 HB2 LYS 6 -4.759 -5.777 -3.288
37 HB3 LYS 6 HB3 LYS 6 -5.469 -7.281 -2.723
38 HG2 LYS 6 HG2 LYS 6 -7.237 -7.162 -4.416
39 HG3 LYS 6 HG3 LYS 6 -6.658 -5.583 -4.952
40 HD2 LYS 6 HD2 LYS 6 -5.997 -7.348 -6.508
41 HD3 LYS 6 HD3 LYS 6 -4.605 -6.543 -5.800
42 HE2 LYS 6 HE2 LYS 6 -4.203 -8.929 -5.986
43 HE3 LYS 6 HE3 LYS 6 -4.204 -8.440 -4.294
44 HZ1 LYS 6 HZ1 LYS 6 -6.558 -9.689 -5.624
45 HZ2 LYS 6 HZ2 LYS 6 -6.364 -9.418 -4.012
46 HZ3 LYS 6 HZ3 LYS 6 -5.433 -10.512 -4.782
47 H TRP 7 H TRP 7 -6.247 -4.322 -0.005
48 HA TRP 7 HA TRP 7 -7.029 -6.632 1.693
49 HB2 TRP 7 HB2 TRP 7 -4.647 -6.824 1.242
50 HB3 TRP 7 HB3 TRP 7 -4.398 -5.186 1.823
51 HD1 TRP 7 HD1 TRP 7 -5.560 -8.592 3.186
52 HE1 TRP 7 HE1 TRP 7 -4.881 -8.800 5.647
53 HE3 TRP 7 HE3 TRP 7 -3.802 -3.846 3.933
54 HZ2 TRP 7 HZ2 TRP 7 -3.751 -7.117 7.689
55 HZ3 TRP 7 HZ3 TRP 7 -2.962 -3.165 6.164
56 HH2 TRP 7 HH2 TRP 7 -2.956 -4.780 8.050
57 H MET 8 H MET 8 -8.051 -3.793 0.990
58 HA MET 8 HA MET 8 -9.318 -2.256 2.058
59 HB2 MET 8 HB2 MET 8 -9.726 -4.671 3.852
60 HB3 MET 8 HB3 MET 8 -10.675 -3.204 4.012
61 HG2 MET 8 HG2 MET 8 -11.095 -3.403 1.450
62 HG3 MET 8 HG3 MET 8 -10.478 -5.039 1.619
63 HE1 MET 8 HE1 MET 8 -14.227 -5.720 1.008
64 HE2 MET 8 HE2 MET 8 -13.178 -4.501 0.243
65 HE3 MET 8 HE3 MET 8 -12.556 -6.133 0.578
66 H GLN 9 H GLN 9 -7.026 -1.422 2.332
67 HA GLN 9 HA GLN 9 -5.588 -1.239 4.575
68 HB2 GLN 9 HB2 GLN 9 -4.418 0.624 3.495
69 HB3 GLN 9 HB3 GLN 9 -4.842 -0.639 2.378
70 HG2 GLN 9 HG2 GLN 9 -6.825 0.709 1.600
71 HG3 GLN 9 HG3 GLN 9 -6.322 2.009 2.678
72 HE21 GLN 9 HE21 GLN 9 -3.684 2.445 2.271
73 HE22 GLN 9 HE22 GLN 9 -3.360 2.723 0.574
74 H THR 10 H THR 10 -8.329 -0.381 5.638
75 HA THR 10 HA THR 10 -9.216 1.137 7.117
76 HB THR 10 HB THR 10 -6.352 1.503 7.990
77 HG1 THR 10 HG1 THR 10 -6.802 -0.638 7.924
78 HG21 THR 10 HG21 THR 10 -7.491 1.603 10.257
79 HG22 THR 10 HG22 THR 10 -9.037 1.795 9.408
80 HG23 THR 10 HG23 THR 10 -7.771 3.026 9.250
81 H CYS 11 H CYS 11 -9.649 2.315 5.019
82 HA CYS 11 HA CYS 11 -8.173 4.808 4.606
83 HB2 CYS 11 HB2 CYS 11 -9.212 3.138 2.844
84 HB3 CYS 11 HB3 CYS 11 -10.611 4.197 2.983
85 H ASP 12 H ASP 12 -8.711 5.433 6.793
86 HA ASP 12 HA ASP 12 -10.918 7.417 6.723
87 HB2 ASP 12 HB2 ASP 12 -9.137 6.415 8.932
88 HB3 ASP 12 HB3 ASP 12 -9.850 8.016 9.051
89 H SER 13 H SER 13 -9.804 9.617 7.890
90 HA SER 13 HA SER 13 -8.499 10.852 5.670
91 HB2 SER 13 HB2 SER 13 -8.537 12.879 7.123
92 HB3 SER 13 HB3 SER 13 -10.086 12.104 6.809
93 HG SER 13 HG SER 13 -8.592 11.499 9.171
94 H GLU 14 H GLU 14 -6.806 8.829 6.571
95 HA GLU 14 HA GLU 14 -4.289 10.329 6.850
96 HB2 GLU 14 HB2 GLU 14 -5.199 8.184 8.809
97 HB3 GLU 14 HB3 GLU 14 -3.486 8.449 8.531
98 HG2 GLU 14 HG2 GLU 14 -5.389 10.536 9.533
99 HG3 GLU 14 HG3 GLU 14 -4.223 9.626 10.485
100 H ARG 15 H ARG 15 -5.312 9.256 4.471
101 HA ARG 15 HA ARG 15 -3.538 6.870 4.144
102 HB2 ARG 15 HB2 ARG 15 -6.121 6.436 4.616
103 HB3 ARG 15 HB3 ARG 15 -6.290 6.854 2.925
104 HG2 ARG 15 HG2 ARG 15 -5.872 4.618 2.591
105 HG3 ARG 15 HG3 ARG 15 -4.174 5.076 2.736
106 HD2 ARG 15 HD2 ARG 15 -6.011 4.052 4.935
107 HD3 ARG 15 HD3 ARG 15 -4.594 3.219 4.202
108 HE ARG 15 HE ARG 15 -4.019 5.795 5.496
109 HH11 ARG 15 HH11 ARG 15 -4.579 2.426 6.301
110 HH12 ARG 15 HH12 ARG 15 -3.667 2.569 7.776
111 HH21 ARG 15 HH21 ARG 15 -2.873 5.875 7.289
112 HH22 ARG 15 HH22 ARG 15 -2.706 4.429 8.312
113 H LYS 16 H LYS 16 -2.118 7.081 2.768
114 HA LYS 16 HA LYS 16 -2.467 7.781 -0.006
115 HB2 LYS 16 HB2 LYS 16 -0.574 6.239 -0.360
116 HB3 LYS 16 HB3 LYS 16 -0.260 7.486 0.832
117 HG2 LYS 16 HG2 LYS 16 -0.564 5.862 2.675
118 HG3 LYS 16 HG3 LYS 16 -0.941 4.587 1.529
119 HD2 LYS 16 HD2 LYS 16 1.718 6.022 1.821
120 HD3 LYS 16 HD3 LYS 16 1.322 4.363 2.292
121 HE2 LYS 16 HE2 LYS 16 0.720 4.037 -0.241
122 HE3 LYS 16 HE3 LYS 16 1.607 5.549 -0.484
123 HZ1 LYS 16 HZ1 LYS 16 3.135 3.726 -0.747
124 HZ2 LYS 16 HZ2 LYS 16 2.659 3.052 0.682
125 HZ3 LYS 16 HZ3 LYS 16 3.508 4.458 0.662
126 H CYS 17 H CYS 17 -4.803 7.021 -0.023
127 HA CYS 17 HA CYS 17 -5.493 4.248 -0.190
128 HB2 CYS 17 HB2 CYS 17 -7.105 6.147 -0.050
129 HB3 CYS 17 HB3 CYS 17 -6.692 6.593 -1.694
130 H CYS 18 H CYS 18 -4.852 2.713 -1.639
131 HA CYS 18 HA CYS 18 -2.873 3.456 -3.527
132 HB2 CYS 18 HB2 CYS 18 -4.273 0.896 -2.830
133 HB3 CYS 18 HB3 CYS 18 -3.183 0.970 -4.222
134 H GLU 19 H GLU 19 -6.252 3.572 -4.030
135 HA GLU 19 HA GLU 19 -5.882 3.953 -6.950
136 HB2 GLU 19 HB2 GLU 19 -8.120 2.322 -5.721
137 HB3 GLU 19 HB3 GLU 19 -7.854 2.636 -7.440
138 HG2 GLU 19 HG2 GLU 19 -6.172 0.906 -5.587
139 HG3 GLU 19 HG3 GLU 19 -7.280 0.346 -6.831
140 H GLY 20 H GLY 20 -7.962 4.925 -7.895
141 HA2 GLY 20 HA2 GLY 20 -8.577 7.336 -6.387
142 HA3 GLY 20 HA3 GLY 20 -8.981 6.977 -8.062
143 H MET 21 H MET 21 -10.218 4.391 -6.810
144 HA MET 21 HA MET 21 -12.961 4.967 -6.668
145 HB2 MET 21 HB2 MET 21 -13.093 2.640 -5.841
146 HB3 MET 21 HB3 MET 21 -11.965 2.805 -7.167
147 HG2 MET 21 HG2 MET 21 -10.096 2.975 -5.425
148 HG3 MET 21 HG3 MET 21 -11.281 2.558 -4.211
149 HE1 MET 21 HE1 MET 21 -10.043 -0.461 -7.561
150 HE2 MET 21 HE2 MET 21 -11.217 0.836 -7.865
151 HE3 MET 21 HE3 MET 21 -9.515 1.227 -7.572
152 H VAL 22 H VAL 22 -13.872 3.595 -4.333
153 HA VAL 22 HA VAL 22 -14.365 5.729 -2.590
154 HB VAL 22 HB VAL 22 -14.490 2.863 -1.661
155 HG11 VAL 22 HG11 VAL 22 -16.545 3.734 -0.497
156 HG12 VAL 22 HG12 VAL 22 -15.066 4.509 0.049
157 HG13 VAL 22 HG13 VAL 22 -16.156 5.357 -1.082
158 HG21 VAL 22 HG21 VAL 22 -15.563 2.846 -3.855
159 HG22 VAL 22 HG22 VAL 22 -16.782 2.768 -2.586
160 HG23 VAL 22 HG23 VAL 22 -16.494 4.303 -3.430
161 H CYS 23 H CYS 23 -13.523 6.489 -0.695
162 HA CYS 23 HA CYS 23 -11.481 4.863 0.719
163 HB2 CYS 23 HB2 CYS 23 -10.184 6.555 -0.418
164 HB3 CYS 23 HB3 CYS 23 -11.236 7.828 0.208
165 H ARG 24 H ARG 24 -13.300 4.148 1.789
166 HA ARG 24 HA ARG 24 -13.833 5.672 4.232
167 HB2 ARG 24 HB2 ARG 24 -16.137 4.629 2.503
168 HB3 ARG 24 HB3 ARG 24 -16.259 4.914 4.221
169 HG2 ARG 24 HG2 ARG 24 -17.068 6.909 3.618
170 HG3 ARG 24 HG3 ARG 24 -15.356 7.371 3.567
171 HD2 ARG 24 HD2 ARG 24 -15.320 6.835 1.118
172 HD3 ARG 24 HD3 ARG 24 -17.008 6.321 1.198
173 HE ARG 24 HE ARG 24 -15.969 9.102 1.500
174 HH11 ARG 24 HH11 ARG 24 -18.819 7.065 1.868
175 HH12 ARG 24 HH12 ARG 24 -19.869 8.470 1.847
176 HH21 ARG 24 HH21 ARG 24 -17.399 10.696 1.010
177 HH22 ARG 24 HH22 ARG 24 -19.095 10.431 1.334
178 H LEU 25 H LEU 25 -13.118 4.319 5.690
179 HA LEU 25 HA LEU 25 -12.292 2.488 6.722
180 HB2 LEU 25 HB2 LEU 25 -14.467 0.843 5.404
181 HB3 LEU 25 HB3 LEU 25 -13.488 0.419 6.791
182 HG LEU 25 HG LEU 25 -14.625 2.524 7.921
183 HD11 LEU 25 HD11 LEU 25 -15.878 3.426 6.043
184 HD12 LEU 25 HD12 LEU 25 -17.008 2.726 7.168
185 HD13 LEU 25 HD13 LEU 25 -16.585 1.833 5.683
186 HD21 LEU 25 HD21 LEU 25 -16.113 -0.074 7.354
187 HD22 LEU 25 HD22 LEU 25 -16.462 1.055 8.688
188 HD23 LEU 25 HD23 LEU 25 -14.919 0.199 8.644
189 H TRP 26 H TRP 26 -12.798 1.917 3.261
190 HA TRP 26 HA TRP 26 -10.160 0.618 3.018
191 HB2 TRP 26 HB2 TRP 26 -11.629 -1.089 1.504
192 HB3 TRP 26 HB3 TRP 26 -11.159 -1.312 3.171
193 HD1 TRP 26 HD1 TRP 26 -12.936 -1.991 4.789
194 HE1 TRP 26 HE1 TRP 26 -15.489 -1.918 4.934
195 HE3 TRP 26 HE3 TRP 26 -13.888 0.804 0.602
196 HZ2 TRP 26 HZ2 TRP 26 -17.656 -0.674 3.489
197 HZ3 TRP 26 HZ3 TRP 26 -16.211 1.477 0.059
198 HH2 TRP 26 HH2 TRP 26 -18.104 0.732 1.488
199 H CYS 27 H CYS 27 -9.706 0.034 0.697
200 HA CYS 27 HA CYS 27 -10.779 2.042 -1.215
201 HB2 CYS 27 HB2 CYS 27 -8.011 0.837 -1.149
202 HB3 CYS 27 HB3 CYS 27 -8.633 1.927 -2.385
203 H LYS 28 H LYS 28 -12.467 0.814 -1.956
204 HA LYS 28 HA LYS 28 -11.704 -1.389 -3.755
205 HB2 LYS 28 HB2 LYS 28 -13.483 -2.870 -3.160
206 HB3 LYS 28 HB3 LYS 28 -12.409 -2.606 -1.806
207 HG2 LYS 28 HG2 LYS 28 -14.667 -2.802 -1.059
208 HG3 LYS 28 HG3 LYS 28 -14.061 -1.194 -0.701
209 HD2 LYS 28 HD2 LYS 28 -15.447 -0.163 -2.312
210 HD3 LYS 28 HD3 LYS 28 -15.692 -1.657 -3.218
211 HE2 LYS 28 HE2 LYS 28 -16.873 -1.055 -0.474
212 HE3 LYS 28 HE3 LYS 28 -17.705 -0.890 -2.027
213 HZ1 LYS 28 HZ1 LYS 28 -16.947 -3.379 -2.253
214 HZ2 LYS 28 HZ2 LYS 28 -18.338 -2.976 -1.497
215 HZ3 LYS 28 HZ3 LYS 28 -16.986 -3.315 -0.593
216 H LYS 29 H LYS 29 -13.399 -1.917 -5.354
217 HA LYS 29 HA LYS 29 -13.774 0.535 -6.767
218 HB2 LYS 29 HB2 LYS 29 -14.853 -2.218 -7.387
219 HB3 LYS 29 HB3 LYS 29 -14.780 -0.882 -8.527
220 HG2 LYS 29 HG2 LYS 29 -12.425 -0.940 -8.656
221 HG3 LYS 29 HG3 LYS 29 -12.248 -1.954 -7.221
222 HD2 LYS 29 HD2 LYS 29 -13.152 -3.876 -8.310
223 HD3 LYS 29 HD3 LYS 29 -13.664 -2.953 -9.726
224 HE2 LYS 29 HE2 LYS 29 -10.749 -3.005 -8.872
225 HE3 LYS 29 HE3 LYS 29 -11.431 -4.342 -9.817
226 HZ1 LYS 29 HZ1 LYS 29 -11.918 -2.949 -11.578
227 HZ2 LYS 29 HZ2 LYS 29 -10.422 -2.420 -11.128
228 HZ3 LYS 29 HZ3 LYS 29 -11.735 -1.547 -10.727
229 H LYS 30 H LYS 30 -15.373 1.885 -6.872
230 HA LYS 30 HA LYS 30 -18.064 1.039 -7.279
231 HB2 LYS 30 HB2 LYS 30 -17.813 1.246 -4.633
232 HB3 LYS 30 HB3 LYS 30 -17.791 2.965 -4.937
233 HG2 LYS 30 HG2 LYS 30 -20.006 2.331 -4.371
234 HG3 LYS 30 HG3 LYS 30 -19.976 2.834 -6.062
235 HD2 LYS 30 HD2 LYS 30 -21.430 0.894 -5.679
236 HD3 LYS 30 HD3 LYS 30 -20.121 0.487 -6.791
237 HE2 LYS 30 HE2 LYS 30 -18.852 -0.574 -4.941
238 HE3 LYS 30 HE3 LYS 30 -20.123 -0.098 -3.792
239 HZ1 LYS 30 HZ1 LYS 30 -20.426 -1.966 -6.066
240 HZ2 LYS 30 HZ2 LYS 30 -21.665 -1.472 -5.089
241 HZ3 LYS 30 HZ3 LYS 30 -20.435 -2.368 -4.467
242 H LEU 31 H LEU 31 -17.887 2.044 -9.212
243 HA LEU 31 HA LEU 31 -17.932 4.977 -9.300
244 HB2 LEU 31 HB2 LEU 31 -15.505 4.483 -9.208
245 HB3 LEU 31 HB3 LEU 31 -15.672 3.409 -10.596
246 HG LEU 31 HG LEU 31 -16.318 5.368 -12.012
247 HD11 LEU 31 HD11 LEU 31 -15.954 7.651 -11.179
248 HD12 LEU 31 HD12 LEU 31 -15.629 7.021 -9.541
249 HD13 LEU 31 HD13 LEU 31 -17.241 6.870 -10.270
250 HD21 LEU 31 HD21 LEU 31 -13.689 5.735 -10.536
251 HD22 LEU 31 HD22 LEU 31 -14.107 6.315 -12.180
252 HD23 LEU 31 HD23 LEU 31 -13.986 4.588 -11.858
253 H LEU 32 H LEU 32 -18.168 1.884 -11.006
254 HA LEU 32 HA LEU 32 -19.485 3.273 -13.366
255 HB2 LEU 32 HB2 LEU 32 -17.501 0.958 -13.104
256 HB3 LEU 32 HB3 LEU 32 -18.365 1.303 -14.612
257 HG LEU 32 HG LEU 32 -16.702 3.447 -13.194
258 HD11 LEU 32 HD11 LEU 32 -15.246 1.534 -13.690
259 HD12 LEU 32 HD12 LEU 32 -14.889 2.924 -14.723
260 HD13 LEU 32 HD13 LEU 32 -15.804 1.550 -15.381
261 HD21 LEU 32 HD21 LEU 32 -18.305 4.294 -14.912
262 HD22 LEU 32 HD22 LEU 32 -17.633 3.149 -16.093
263 HD23 LEU 32 HD23 LEU 32 -16.634 4.464 -15.452
Start of MODEL 10
1 H1 GLY 1 H1 GLY 1 3.822 -6.419 0.920
2 H2 GLY 1 H2 GLY 1 3.891 -6.704 -0.694
3 H3 GLY 1 H3 GLY 1 5.045 -5.770 0.031
4 HA2 GLY 1 HA2 GLY 1 3.402 -4.084 0.567
5 HA3 GLY 1 HA3 GLY 1 3.561 -4.362 -1.172
6 HA PRO 2 HA PRO 2 -0.559 -6.354 0.265
7 HB2 PRO 2 HB2 PRO 2 -1.788 -5.389 2.462
8 HB3 PRO 2 HB3 PRO 2 -0.501 -6.626 2.561
9 HG2 PRO 2 HG2 PRO 2 -0.255 -3.637 3.006
10 HG3 PRO 2 HG3 PRO 2 0.413 -4.968 4.000
11 HD2 PRO 2 HD2 PRO 2 1.862 -3.625 2.076
12 HD3 PRO 2 HD3 PRO 2 2.159 -5.335 2.503
13 H TYR 3 H TYR 3 -1.284 -5.406 -1.577
14 HA TYR 3 HA TYR 3 -1.696 -2.748 -2.048
15 HB2 TYR 3 HB2 TYR 3 -2.805 -5.165 -3.391
16 HB3 TYR 3 HB3 TYR 3 -3.350 -3.570 -3.857
17 HD1 TYR 3 HD1 TYR 3 -2.128 -2.153 -5.261
18 HD2 TYR 3 HD2 TYR 3 -0.261 -5.668 -3.583
19 HE1 TYR 3 HE1 TYR 3 -0.254 -1.933 -6.877
20 HE2 TYR 3 HE2 TYR 3 1.639 -5.398 -5.163
21 HH TYR 3 HH TYR 3 1.498 -3.115 -7.856
22 H CYS 4 H CYS 4 -2.974 -1.161 -1.705
23 HA CYS 4 HA CYS 4 -4.629 -1.075 0.414
24 HB2 CYS 4 HB2 CYS 4 -5.052 0.646 -2.045
25 HB3 CYS 4 HB3 CYS 4 -5.399 1.053 -0.383
26 H GLN 5 H GLN 5 -5.790 -1.614 -2.926
27 HA GLN 5 HA GLN 5 -8.590 -1.445 -2.114
28 HB2 GLN 5 HB2 GLN 5 -9.106 -1.092 -4.283
29 HB3 GLN 5 HB3 GLN 5 -7.535 -0.354 -4.183
30 HG2 GLN 5 HG2 GLN 5 -8.208 -3.024 -5.483
31 HG3 GLN 5 HG3 GLN 5 -7.870 -1.512 -6.286
32 HE21 GLN 5 HE21 GLN 5 -5.939 -1.763 -7.318
33 HE22 GLN 5 HE22 GLN 5 -4.557 -2.688 -6.688
34 H LYS 6 H LYS 6 -6.502 -3.735 -1.722
35 HA LYS 6 HA LYS 6 -8.184 -6.098 -2.392
36 HB2 LYS 6 HB2 LYS 6 -6.588 -5.522 -4.093
37 HB3 LYS 6 HB3 LYS 6 -5.249 -5.545 -2.938
38 HG2 LYS 6 HG2 LYS 6 -5.539 -7.988 -2.691
39 HG3 LYS 6 HG3 LYS 6 -6.895 -7.949 -3.822
40 HD2 LYS 6 HD2 LYS 6 -4.013 -7.136 -4.462
41 HD3 LYS 6 HD3 LYS 6 -4.748 -8.689 -4.835
42 HE2 LYS 6 HE2 LYS 6 -4.888 -7.638 -6.872
43 HE3 LYS 6 HE3 LYS 6 -6.495 -7.371 -6.202
44 HZ1 LYS 6 HZ1 LYS 6 -5.591 -5.080 -5.520
45 HZ2 LYS 6 HZ2 LYS 6 -5.730 -5.331 -7.135
46 HZ3 LYS 6 HZ3 LYS 6 -4.281 -5.386 -6.457
47 H TRP 7 H TRP 7 -6.785 -4.451 0.151
48 HA TRP 7 HA TRP 7 -6.889 -6.859 1.857
49 HB2 TRP 7 HB2 TRP 7 -4.622 -6.834 1.032
50 HB3 TRP 7 HB3 TRP 7 -4.415 -5.169 1.535
51 HD1 TRP 7 HD1 TRP 7 -4.940 -8.644 3.111
52 HE1 TRP 7 HE1 TRP 7 -3.978 -8.656 5.500
53 HE3 TRP 7 HE3 TRP 7 -3.743 -3.691 3.577
54 HZ2 TRP 7 HZ2 TRP 7 -2.465 -6.887 7.177
55 HZ3 TRP 7 HZ3 TRP 7 -2.628 -2.866 5.645
56 HH2 TRP 7 HH2 TRP 7 -1.949 -4.451 7.425
57 H MET 8 H MET 8 -7.979 -3.794 1.577
58 HA MET 8 HA MET 8 -8.845 -2.227 2.943
59 HB2 MET 8 HB2 MET 8 -9.266 -4.576 4.822
60 HB3 MET 8 HB3 MET 8 -10.107 -3.023 4.879
61 HG2 MET 8 HG2 MET 8 -10.934 -3.427 2.555
62 HG3 MET 8 HG3 MET 8 -10.205 -5.030 2.616
63 HE1 MET 8 HE1 MET 8 -10.874 -6.080 5.579
64 HE2 MET 8 HE2 MET 8 -12.408 -6.911 5.255
65 HE3 MET 8 HE3 MET 8 -11.072 -7.038 4.096
66 H GLN 9 H GLN 9 -6.741 -1.220 3.081
67 HA GLN 9 HA GLN 9 -4.902 -1.503 5.138
68 HB2 GLN 9 HB2 GLN 9 -3.899 0.460 4.269
69 HB3 GLN 9 HB3 GLN 9 -4.751 -0.250 2.901
70 HG2 GLN 9 HG2 GLN 9 -6.705 1.372 3.552
71 HG3 GLN 9 HG3 GLN 9 -5.503 2.195 4.547
72 HE21 GLN 9 HE21 GLN 9 -3.289 2.716 3.137
73 HE22 GLN 9 HE22 GLN 9 -3.718 3.338 1.531
74 H THR 10 H THR 10 -7.960 -0.609 6.005
75 HA THR 10 HA THR 10 -9.065 0.919 7.252
76 HB THR 10 HB THR 10 -6.498 1.543 8.700
77 HG1 THR 10 HG1 THR 10 -7.815 -0.667 8.587
78 HG21 THR 10 HG21 THR 10 -9.437 2.024 9.366
79 HG22 THR 10 HG22 THR 10 -8.185 3.260 9.114
80 HG23 THR 10 HG23 THR 10 -8.094 2.186 10.514
81 H CYS 11 H CYS 11 -9.652 2.168 5.570
82 HA CYS 11 HA CYS 11 -7.836 4.300 4.630
83 HB2 CYS 11 HB2 CYS 11 -9.145 2.477 3.217
84 HB3 CYS 11 HB3 CYS 11 -10.389 3.732 3.230
85 H ASP 12 H ASP 12 -8.062 5.513 6.527
86 HA ASP 12 HA ASP 12 -10.450 7.020 7.193
87 HB2 ASP 12 HB2 ASP 12 -7.490 7.412 7.800
88 HB3 ASP 12 HB3 ASP 12 -8.803 8.387 8.467
89 H SER 13 H SER 13 -10.302 9.518 7.182
90 HA SER 13 HA SER 13 -10.428 10.563 4.590
91 HB2 SER 13 HB2 SER 13 -11.492 11.609 6.498
92 HB3 SER 13 HB3 SER 13 -9.922 11.983 7.212
93 HG SER 13 HG SER 13 -9.952 13.720 6.137
94 H GLU 14 H GLU 14 -7.517 10.254 6.545
95 HA GLU 14 HA GLU 14 -5.932 11.966 4.692
96 HB2 GLU 14 HB2 GLU 14 -5.195 10.503 7.242
97 HB3 GLU 14 HB3 GLU 14 -4.125 11.579 6.352
98 HG2 GLU 14 HG2 GLU 14 -5.424 13.509 6.870
99 HG3 GLU 14 HG3 GLU 14 -6.807 12.558 7.412
100 H ARG 15 H ARG 15 -6.817 8.688 4.724
101 HA ARG 15 HA ARG 15 -4.127 7.626 4.173
102 HB2 ARG 15 HB2 ARG 15 -6.833 6.491 4.759
103 HB3 ARG 15 HB3 ARG 15 -5.750 5.474 3.831
104 HG2 ARG 15 HG2 ARG 15 -4.678 6.844 6.331
105 HG3 ARG 15 HG3 ARG 15 -5.699 5.413 6.505
106 HD2 ARG 15 HD2 ARG 15 -4.253 4.085 5.055
107 HD3 ARG 15 HD3 ARG 15 -3.292 5.539 4.626
108 HE ARG 15 HE ARG 15 -2.047 5.188 6.470
109 HH11 ARG 15 HH11 ARG 15 -5.065 3.344 7.067
110 HH12 ARG 15 HH12 ARG 15 -4.196 2.458 8.304
111 HH21 ARG 15 HH21 ARG 15 -1.387 4.282 8.319
112 HH22 ARG 15 HH22 ARG 15 -2.348 2.967 9.021
113 H LYS 16 H LYS 16 -3.230 7.099 2.319
114 HA LYS 16 HA LYS 16 -4.594 7.790 -0.186
115 HB2 LYS 16 HB2 LYS 16 -1.871 6.474 0.098
116 HB3 LYS 16 HB3 LYS 16 -2.491 7.385 -1.268
117 HG2 LYS 16 HG2 LYS 16 -1.670 8.423 1.460
118 HG3 LYS 16 HG3 LYS 16 -0.827 8.680 -0.048
119 HD2 LYS 16 HD2 LYS 16 -3.644 9.796 0.341
120 HD3 LYS 16 HD3 LYS 16 -2.246 10.550 1.058
121 HE2 LYS 16 HE2 LYS 16 -2.496 11.750 -0.876
122 HE3 LYS 16 HE3 LYS 16 -1.174 10.649 -1.257
123 HZ1 LYS 16 HZ1 LYS 16 -2.745 9.307 -2.559
124 HZ2 LYS 16 HZ2 LYS 16 -2.887 10.856 -3.031
125 HZ3 LYS 16 HZ3 LYS 16 -4.013 10.220 -2.031
126 H CYS 17 H CYS 17 -6.161 6.454 -0.781
127 HA CYS 17 HA CYS 17 -5.892 3.538 -0.857
128 HB2 CYS 17 HB2 CYS 17 -8.052 4.622 -0.664
129 HB3 CYS 17 HB3 CYS 17 -7.815 5.488 -2.168
130 H CYS 18 H CYS 18 -4.573 2.555 -2.208
131 HA CYS 18 HA CYS 18 -2.609 3.651 -3.619
132 HB2 CYS 18 HB2 CYS 18 -3.964 0.982 -4.138
133 HB3 CYS 18 HB3 CYS 18 -2.454 1.443 -4.887
134 H GLU 19 H GLU 19 -5.650 2.647 -5.244
135 HA GLU 19 HA GLU 19 -4.687 3.764 -7.819
136 HB2 GLU 19 HB2 GLU 19 -6.949 1.892 -7.117
137 HB3 GLU 19 HB3 GLU 19 -6.689 2.571 -8.741
138 HG2 GLU 19 HG2 GLU 19 -4.361 1.655 -8.724
139 HG3 GLU 19 HG3 GLU 19 -4.716 0.845 -7.198
140 H GLY 20 H GLY 20 -5.777 5.382 -5.410
141 HA2 GLY 20 HA2 GLY 20 -6.644 7.484 -5.257
142 HA3 GLY 20 HA3 GLY 20 -6.951 7.487 -6.998
143 H MET 21 H MET 21 -8.474 4.830 -5.960
144 HA MET 21 HA MET 21 -11.103 5.963 -6.230
145 HB2 MET 21 HB2 MET 21 -11.819 3.588 -6.217
146 HB3 MET 21 HB3 MET 21 -10.517 3.944 -7.348
147 HG2 MET 21 HG2 MET 21 -8.859 3.056 -5.688
148 HG3 MET 21 HG3 MET 21 -10.198 2.672 -4.608
149 HE1 MET 21 HE1 MET 21 -9.548 0.518 -8.674
150 HE2 MET 21 HE2 MET 21 -10.608 1.936 -8.594
151 HE3 MET 21 HE3 MET 21 -8.875 2.110 -8.277
152 H VAL 22 H VAL 22 -12.877 4.793 -4.853
153 HA VAL 22 HA VAL 22 -13.168 6.387 -2.662
154 HB VAL 22 HB VAL 22 -14.719 3.853 -3.089
155 HG11 VAL 22 HG11 VAL 22 -15.355 6.473 -1.654
156 HG12 VAL 22 HG12 VAL 22 -16.511 5.154 -1.938
157 HG13 VAL 22 HG13 VAL 22 -15.135 4.908 -0.857
158 HG21 VAL 22 HG21 VAL 22 -16.295 5.358 -4.284
159 HG22 VAL 22 HG22 VAL 22 -15.149 6.696 -4.117
160 HG23 VAL 22 HG23 VAL 22 -14.726 5.296 -5.111
161 H CYS 23 H CYS 23 -12.767 6.482 -0.649
162 HA CYS 23 HA CYS 23 -11.357 4.293 0.803
163 HB2 CYS 23 HB2 CYS 23 -9.853 5.849 -0.325
164 HB3 CYS 23 HB3 CYS 23 -10.695 7.219 0.369
165 H ARG 24 H ARG 24 -13.105 3.826 2.186
166 HA ARG 24 HA ARG 24 -13.451 5.694 4.442
167 HB2 ARG 24 HB2 ARG 24 -15.843 4.741 2.834
168 HB3 ARG 24 HB3 ARG 24 -15.941 5.210 4.520
169 HG2 ARG 24 HG2 ARG 24 -16.501 7.242 3.745
170 HG3 ARG 24 HG3 ARG 24 -14.755 7.464 3.663
171 HD2 ARG 24 HD2 ARG 24 -15.712 8.153 1.553
172 HD3 ARG 24 HD3 ARG 24 -14.889 6.623 1.229
173 HE ARG 24 HE ARG 24 -17.366 5.753 1.921
174 HH11 ARG 24 HH11 ARG 24 -16.573 8.365 -0.385
175 HH12 ARG 24 HH12 ARG 24 -18.025 7.993 -1.293
176 HH21 ARG 24 HH21 ARG 24 -19.097 5.397 0.633
177 HH22 ARG 24 HH22 ARG 24 -19.369 6.453 -0.736
178 H LEU 25 H LEU 25 -12.327 4.358 5.604
179 HA LEU 25 HA LEU 25 -11.734 2.682 6.980
180 HB2 LEU 25 HB2 LEU 25 -14.416 1.344 6.636
181 HB3 LEU 25 HB3 LEU 25 -13.272 1.165 7.950
182 HG LEU 25 HG LEU 25 -14.893 3.674 7.329
183 HD11 LEU 25 HD11 LEU 25 -16.132 3.127 9.325
184 HD12 LEU 25 HD12 LEU 25 -15.135 1.697 9.619
185 HD13 LEU 25 HD13 LEU 25 -16.207 1.766 8.200
186 HD21 LEU 25 HD21 LEU 25 -13.037 3.092 9.682
187 HD22 LEU 25 HD22 LEU 25 -14.098 4.508 9.512
188 HD23 LEU 25 HD23 LEU 25 -12.746 4.287 8.402
189 H TRP 26 H TRP 26 -13.509 1.320 4.169
190 HA TRP 26 HA TRP 26 -11.181 -0.446 3.613
191 HB2 TRP 26 HB2 TRP 26 -12.726 -1.277 1.731
192 HB3 TRP 26 HB3 TRP 26 -13.054 -1.741 3.380
193 HD1 TRP 26 HD1 TRP 26 -15.289 -1.009 4.457
194 HE1 TRP 26 HE1 TRP 26 -17.328 0.315 3.755
195 HE3 TRP 26 HE3 TRP 26 -13.439 1.028 0.151
196 HZ2 TRP 26 HZ2 TRP 26 -18.055 2.140 1.602
197 HZ3 TRP 26 HZ3 TRP 26 -14.785 2.614 -1.153
198 HH2 TRP 26 HH2 TRP 26 -17.105 3.199 -0.436
199 H CYS 27 H CYS 27 -10.526 -0.603 1.354
200 HA CYS 27 HA CYS 27 -10.954 1.733 -0.390
201 HB2 CYS 27 HB2 CYS 27 -8.788 2.222 0.409
202 HB3 CYS 27 HB3 CYS 27 -8.324 0.542 0.456
203 H LYS 28 H LYS 28 -11.649 0.957 -2.392
204 HA LYS 28 HA LYS 28 -11.825 -2.015 -2.661
205 HB2 LYS 28 HB2 LYS 28 -13.572 -0.898 -1.049
206 HB3 LYS 28 HB3 LYS 28 -14.390 -0.411 -2.509
207 HG2 LYS 28 HG2 LYS 28 -15.399 -2.465 -2.141
208 HG3 LYS 28 HG3 LYS 28 -14.047 -3.029 -3.127
209 HD2 LYS 28 HD2 LYS 28 -12.757 -3.485 -1.003
210 HD3 LYS 28 HD3 LYS 28 -14.148 -2.920 -0.071
211 HE2 LYS 28 HE2 LYS 28 -15.540 -4.711 -1.218
212 HE3 LYS 28 HE3 LYS 28 -14.037 -5.319 -1.931
213 HZ1 LYS 28 HZ1 LYS 28 -14.681 -5.176 0.959
214 HZ2 LYS 28 HZ2 LYS 28 -13.196 -5.568 0.377
215 HZ3 LYS 28 HZ3 LYS 28 -14.456 -6.548 0.030
216 H LYS 29 H LYS 29 -14.247 -0.166 -4.290
217 HA LYS 29 HA LYS 29 -12.795 0.792 -6.498
218 HB2 LYS 29 HB2 LYS 29 -13.497 -2.032 -6.812
219 HB3 LYS 29 HB3 LYS 29 -14.419 -1.063 -7.962
220 HG2 LYS 29 HG2 LYS 29 -12.260 0.073 -8.642
221 HG3 LYS 29 HG3 LYS 29 -11.406 -1.072 -7.601
222 HD2 LYS 29 HD2 LYS 29 -11.212 -1.927 -9.758
223 HD3 LYS 29 HD3 LYS 29 -12.421 -2.949 -8.975
224 HE2 LYS 29 HE2 LYS 29 -14.219 -1.741 -10.157
225 HE3 LYS 29 HE3 LYS 29 -13.038 -0.579 -10.807
226 HZ1 LYS 29 HZ1 LYS 29 -13.044 -3.486 -11.379
227 HZ2 LYS 29 HZ2 LYS 29 -11.968 -2.396 -11.980
228 HZ3 LYS 29 HZ3 LYS 29 -13.539 -2.339 -12.433
229 H LYS 30 H LYS 30 -14.084 2.129 -7.772
230 HA LYS 30 HA LYS 30 -16.969 1.881 -7.881
231 HB2 LYS 30 HB2 LYS 30 -16.261 3.148 -5.606
232 HB3 LYS 30 HB3 LYS 30 -16.107 4.519 -6.691
233 HG2 LYS 30 HG2 LYS 30 -18.277 4.551 -5.697
234 HG3 LYS 30 HG3 LYS 30 -18.496 4.169 -7.399
235 HD2 LYS 30 HD2 LYS 30 -19.315 2.073 -6.980
236 HD3 LYS 30 HD3 LYS 30 -18.196 1.761 -5.660
237 HE2 LYS 30 HE2 LYS 30 -20.694 3.480 -5.438
238 HE3 LYS 30 HE3 LYS 30 -20.555 1.793 -4.935
239 HZ1 LYS 30 HZ1 LYS 30 -19.141 4.115 -3.751
240 HZ2 LYS 30 HZ2 LYS 30 -18.738 2.532 -3.416
241 HZ3 LYS 30 HZ3 LYS 30 -20.214 3.136 -3.030
242 H LEU 31 H LEU 31 -15.162 1.705 -9.838
243 HA LEU 31 HA LEU 31 -15.666 3.931 -11.648
244 HB2 LEU 31 HB2 LEU 31 -13.728 4.643 -10.235
245 HB3 LEU 31 HB3 LEU 31 -12.812 3.253 -10.779
246 HG LEU 31 HG LEU 31 -13.955 5.021 -12.917
247 HD11 LEU 31 HD11 LEU 31 -13.250 6.701 -11.304
248 HD12 LEU 31 HD12 LEU 31 -12.124 6.667 -12.664
249 HD13 LEU 31 HD13 LEU 31 -11.670 5.910 -11.117
250 HD21 LEU 31 HD21 LEU 31 -11.829 4.608 -14.004
251 HD22 LEU 31 HD22 LEU 31 -12.391 3.057 -13.368
252 HD23 LEU 31 HD23 LEU 31 -11.129 3.942 -12.510
253 H LEU 32 H LEU 32 -15.043 3.316 -13.922
254 HA LEU 32 HA LEU 32 -15.026 0.303 -14.226
255 HB2 LEU 32 HB2 LEU 32 -16.184 2.576 -15.961
256 HB3 LEU 32 HB3 LEU 32 -15.977 0.904 -16.486
257 HG LEU 32 HG LEU 32 -17.356 0.245 -14.351
258 HD11 LEU 32 HD11 LEU 32 -18.190 3.165 -14.679
259 HD12 LEU 32 HD12 LEU 32 -17.537 2.398 -13.208
260 HD13 LEU 32 HD13 LEU 32 -19.129 1.937 -13.799
261 HD21 LEU 32 HD21 LEU 32 -19.446 0.478 -15.650
262 HD22 LEU 32 HD22 LEU 32 -18.112 -0.027 -16.694
263 HD23 LEU 32 HD23 LEU 32 -18.662 1.662 -16.719
Start of MODEL 11
1 H1 GLY 1 H1 GLY 1 5.987 -7.657 -5.488
2 H2 GLY 1 H2 GLY 1 5.292 -7.623 -4.004
3 H3 GLY 1 H3 GLY 1 4.659 -8.604 -5.151
4 HA2 GLY 1 HA2 GLY 1 4.794 -5.683 -5.459
5 HA3 GLY 1 HA3 GLY 1 3.828 -6.818 -6.422
6 HA PRO 2 HA PRO 2 1.974 -6.347 -1.995
7 HB2 PRO 2 HB2 PRO 2 2.256 -3.955 -0.725
8 HB3 PRO 2 HB3 PRO 2 3.564 -5.174 -0.772
9 HG2 PRO 2 HG2 PRO 2 3.197 -2.778 -2.612
10 HG3 PRO 2 HG3 PRO 2 4.657 -3.237 -1.672
11 HD2 PRO 2 HD2 PRO 2 4.365 -3.948 -4.284
12 HD3 PRO 2 HD3 PRO 2 5.114 -5.062 -3.098
13 H TYR 3 H TYR 3 0.134 -5.070 -0.966
14 HA TYR 3 HA TYR 3 -1.384 -3.495 -2.906
15 HB2 TYR 3 HB2 TYR 3 -3.456 -4.916 -2.251
16 HB3 TYR 3 HB3 TYR 3 -2.385 -5.312 -3.578
17 HD1 TYR 3 HD1 TYR 3 -2.377 -7.625 -3.848
18 HD2 TYR 3 HD2 TYR 3 -2.068 -6.002 0.142
19 HE1 TYR 3 HE1 TYR 3 -2.039 -9.908 -2.947
20 HE2 TYR 3 HE2 TYR 3 -1.701 -8.292 1.033
21 HH TYR 3 HH TYR 3 -1.732 -11.198 -1.076
22 H CYS 4 H CYS 4 -2.914 -2.098 -2.337
23 HA CYS 4 HA CYS 4 -3.281 -1.669 0.599
24 HB2 CYS 4 HB2 CYS 4 -3.921 0.413 -1.440
25 HB3 CYS 4 HB3 CYS 4 -3.608 0.585 0.279
26 H GLN 5 H GLN 5 -5.269 -1.067 -2.392
27 HA GLN 5 HA GLN 5 -7.723 -1.234 -0.953
28 HB2 GLN 5 HB2 GLN 5 -8.498 -0.440 -2.835
29 HB3 GLN 5 HB3 GLN 5 -6.945 -0.577 -3.581
30 HG2 GLN 5 HG2 GLN 5 -9.113 -2.731 -3.610
31 HG3 GLN 5 HG3 GLN 5 -8.855 -1.547 -4.862
32 HE21 GLN 5 HE21 GLN 5 -5.681 -2.017 -4.438
33 HE22 GLN 5 HE22 GLN 5 -5.495 -3.503 -5.350
34 H LYS 6 H LYS 6 -5.948 -3.793 -2.705
35 HA LYS 6 HA LYS 6 -7.848 -5.839 -2.142
36 HB2 LYS 6 HB2 LYS 6 -5.404 -5.580 -3.622
37 HB3 LYS 6 HB3 LYS 6 -5.209 -6.972 -2.540
38 HG2 LYS 6 HG2 LYS 6 -7.256 -7.972 -3.350
39 HG3 LYS 6 HG3 LYS 6 -7.691 -6.498 -4.222
40 HD2 LYS 6 HD2 LYS 6 -5.928 -6.802 -5.837
41 HD3 LYS 6 HD3 LYS 6 -5.248 -8.155 -4.927
42 HE2 LYS 6 HE2 LYS 6 -6.604 -8.905 -6.881
43 HE3 LYS 6 HE3 LYS 6 -7.175 -9.533 -5.333
44 HZ1 LYS 6 HZ1 LYS 6 -9.031 -8.776 -6.629
45 HZ2 LYS 6 HZ2 LYS 6 -8.362 -7.286 -6.854
46 HZ3 LYS 6 HZ3 LYS 6 -8.887 -7.772 -5.348
47 H TRP 7 H TRP 7 -6.023 -4.318 0.147
48 HA TRP 7 HA TRP 7 -6.614 -6.566 2.008
49 HB2 TRP 7 HB2 TRP 7 -4.077 -6.007 1.391
50 HB3 TRP 7 HB3 TRP 7 -4.294 -4.745 2.597
51 HD1 TRP 7 HD1 TRP 7 -4.347 -5.610 5.135
52 HE1 TRP 7 HE1 TRP 7 -4.375 -7.923 6.292
53 HE3 TRP 7 HE3 TRP 7 -4.893 -8.560 1.010
54 HZ2 TRP 7 HZ2 TRP 7 -4.601 -10.677 5.499
55 HZ3 TRP 7 HZ3 TRP 7 -5.168 -11.004 1.241
56 HH2 TRP 7 HH2 TRP 7 -4.988 -12.089 3.472
57 H MET 8 H MET 8 -8.033 -4.001 1.088
58 HA MET 8 HA MET 8 -9.274 -2.325 1.985
59 HB2 MET 8 HB2 MET 8 -9.584 -4.569 3.992
60 HB3 MET 8 HB3 MET 8 -10.549 -3.098 4.073
61 HG2 MET 8 HG2 MET 8 -11.179 -3.444 1.645
62 HG3 MET 8 HG3 MET 8 -10.425 -5.035 1.734
63 HE1 MET 8 HE1 MET 8 -12.693 -6.962 4.234
64 HE2 MET 8 HE2 MET 8 -11.456 -7.114 2.967
65 HE3 MET 8 HE3 MET 8 -11.112 -6.204 4.455
66 H GLN 9 H GLN 9 -7.175 -1.276 2.090
67 HA GLN 9 HA GLN 9 -5.576 -0.863 4.253
68 HB2 GLN 9 HB2 GLN 9 -4.656 1.066 2.923
69 HB3 GLN 9 HB3 GLN 9 -4.796 -0.452 2.100
70 HG2 GLN 9 HG2 GLN 9 -5.458 1.593 0.746
71 HG3 GLN 9 HG3 GLN 9 -6.629 0.280 0.755
72 HE21 GLN 9 HE21 GLN 9 -6.031 3.632 1.843
73 HE22 GLN 9 HE22 GLN 9 -7.694 3.861 2.358
74 H THR 10 H THR 10 -8.174 -0.253 5.461
75 HA THR 10 HA THR 10 -8.897 1.154 7.157
76 HB THR 10 HB THR 10 -5.914 1.574 7.524
77 HG1 THR 10 HG1 THR 10 -5.983 -0.393 8.592
78 HG21 THR 10 HG21 THR 10 -8.208 1.232 9.508
79 HG22 THR 10 HG22 THR 10 -7.345 2.749 9.184
80 HG23 THR 10 HG23 THR 10 -6.489 1.393 9.926
81 H CYS 11 H CYS 11 -9.710 2.580 5.351
82 HA CYS 11 HA CYS 11 -8.083 4.798 4.533
83 HB2 CYS 11 HB2 CYS 11 -9.800 3.422 3.162
84 HB3 CYS 11 HB3 CYS 11 -10.983 4.593 3.750
85 H ASP 12 H ASP 12 -8.031 5.324 6.966
86 HA ASP 12 HA ASP 12 -9.711 7.605 7.696
87 HB2 ASP 12 HB2 ASP 12 -7.066 6.491 8.694
88 HB3 ASP 12 HB3 ASP 12 -7.790 7.988 9.288
89 H SER 13 H SER 13 -8.822 9.819 7.852
90 HA SER 13 HA SER 13 -8.270 10.718 5.259
91 HB2 SER 13 HB2 SER 13 -9.309 12.078 7.008
92 HB3 SER 13 HB3 SER 13 -7.757 12.215 7.838
93 HG SER 13 HG SER 13 -8.469 13.967 6.366
94 H GLU 14 H GLU 14 -5.783 10.176 7.812
95 HA GLU 14 HA GLU 14 -3.659 11.257 6.179
96 HB2 GLU 14 HB2 GLU 14 -2.137 10.358 7.796
97 HB3 GLU 14 HB3 GLU 14 -3.474 11.170 8.598
98 HG2 GLU 14 HG2 GLU 14 -4.496 9.033 9.203
99 HG3 GLU 14 HG3 GLU 14 -3.297 8.144 8.265
100 H ARG 15 H ARG 15 -5.267 8.235 5.774
101 HA ARG 15 HA ARG 15 -2.827 6.808 4.909
102 HB2 ARG 15 HB2 ARG 15 -5.203 6.024 6.184
103 HB3 ARG 15 HB3 ARG 15 -5.387 5.359 4.576
104 HG2 ARG 15 HG2 ARG 15 -2.866 4.956 6.274
105 HG3 ARG 15 HG3 ARG 15 -4.274 3.895 6.384
106 HD2 ARG 15 HD2 ARG 15 -4.111 3.278 4.026
107 HD3 ARG 15 HD3 ARG 15 -2.800 4.467 3.775
108 HE ARG 15 HE ARG 15 -1.265 3.068 4.732
109 HH11 ARG 15 HH11 ARG 15 -4.449 1.735 5.513
110 HH12 ARG 15 HH12 ARG 15 -3.700 0.312 6.249
111 HH21 ARG 15 HH21 ARG 15 -0.514 1.160 5.672
112 HH22 ARG 15 HH22 ARG 15 -1.673 -0.012 6.269
113 H LYS 16 H LYS 16 -2.258 6.342 2.898
114 HA LYS 16 HA LYS 16 -3.326 7.450 0.503
115 HB2 LYS 16 HB2 LYS 16 -1.701 4.915 1.010
116 HB3 LYS 16 HB3 LYS 16 -2.035 5.532 -0.598
117 HG2 LYS 16 HG2 LYS 16 -0.480 7.076 1.521
118 HG3 LYS 16 HG3 LYS 16 0.220 6.055 0.264
119 HD2 LYS 16 HD2 LYS 16 -1.129 7.552 -1.413
120 HD3 LYS 16 HD3 LYS 16 -1.219 8.705 -0.073
121 HE2 LYS 16 HE2 LYS 16 1.336 7.472 -1.224
122 HE3 LYS 16 HE3 LYS 16 0.713 9.072 -1.649
123 HZ1 LYS 16 HZ1 LYS 16 1.064 9.788 0.620
124 HZ2 LYS 16 HZ2 LYS 16 2.446 9.173 0.041
125 HZ3 LYS 16 HZ3 LYS 16 1.550 8.303 1.104
126 H CYS 17 H CYS 17 -4.626 6.647 -1.135
127 HA CYS 17 HA CYS 17 -6.168 4.117 -0.633
128 HB2 CYS 17 HB2 CYS 17 -7.565 6.115 -0.306
129 HB3 CYS 17 HB3 CYS 17 -7.123 6.687 -1.909
130 H CYS 18 H CYS 18 -4.377 3.093 -1.729
131 HA CYS 18 HA CYS 18 -3.300 4.007 -4.120
132 HB2 CYS 18 HB2 CYS 18 -2.986 1.167 -3.268
133 HB3 CYS 18 HB3 CYS 18 -1.813 2.233 -3.978
134 H GLU 19 H GLU 19 -6.151 3.484 -4.567
135 HA GLU 19 HA GLU 19 -5.731 2.497 -7.288
136 HB2 GLU 19 HB2 GLU 19 -7.965 1.502 -5.498
137 HB3 GLU 19 HB3 GLU 19 -8.185 1.602 -7.235
138 HG2 GLU 19 HG2 GLU 19 -5.992 -0.063 -6.010
139 HG3 GLU 19 HG3 GLU 19 -7.618 -0.640 -6.361
140 H GLY 20 H GLY 20 -6.948 4.938 -5.187
141 HA2 GLY 20 HA2 GLY 20 -8.067 6.890 -5.592
142 HA3 GLY 20 HA3 GLY 20 -7.816 6.615 -7.316
143 H MET 21 H MET 21 -9.831 5.329 -4.634
144 HA MET 21 HA MET 21 -12.147 4.977 -6.505
145 HB2 MET 21 HB2 MET 21 -10.967 2.962 -4.549
146 HB3 MET 21 HB3 MET 21 -12.452 2.712 -5.475
147 HG2 MET 21 HG2 MET 21 -9.750 3.205 -6.750
148 HG3 MET 21 HG3 MET 21 -10.417 1.618 -6.437
149 HE1 MET 21 HE1 MET 21 -9.479 3.043 -9.449
150 HE2 MET 21 HE2 MET 21 -9.670 1.332 -8.994
151 HE3 MET 21 HE3 MET 21 -10.586 2.006 -10.359
152 H VAL 22 H VAL 22 -13.864 3.749 -4.657
153 HA VAL 22 HA VAL 22 -14.866 5.619 -2.778
154 HB VAL 22 HB VAL 22 -14.777 2.603 -2.392
155 HG11 VAL 22 HG11 VAL 22 -15.644 3.801 -0.437
156 HG12 VAL 22 HG12 VAL 22 -16.792 4.693 -1.471
157 HG13 VAL 22 HG13 VAL 22 -16.951 2.945 -1.245
158 HG21 VAL 22 HG21 VAL 22 -16.940 2.450 -3.552
159 HG22 VAL 22 HG22 VAL 22 -16.811 4.155 -4.016
160 HG23 VAL 22 HG23 VAL 22 -15.653 2.959 -4.644
161 H CYS 23 H CYS 23 -14.276 6.132 -0.675
162 HA CYS 23 HA CYS 23 -12.172 4.576 0.736
163 HB2 CYS 23 HB2 CYS 23 -10.983 6.420 -0.252
164 HB3 CYS 23 HB3 CYS 23 -12.229 7.554 0.259
165 H ARG 24 H ARG 24 -13.785 3.651 1.993
166 HA ARG 24 HA ARG 24 -14.900 5.326 4.159
167 HB2 ARG 24 HB2 ARG 24 -16.661 3.769 2.216
168 HB3 ARG 24 HB3 ARG 24 -17.092 3.919 3.908
169 HG2 ARG 24 HG2 ARG 24 -18.208 5.756 3.244
170 HG3 ARG 24 HG3 ARG 24 -16.634 6.519 3.510
171 HD2 ARG 24 HD2 ARG 24 -16.193 5.942 0.981
172 HD3 ARG 24 HD3 ARG 24 -17.931 5.634 0.892
173 HE ARG 24 HE ARG 24 -17.545 8.058 2.300
174 HH11 ARG 24 HH11 ARG 24 -17.292 7.051 -1.070
175 HH12 ARG 24 HH12 ARG 24 -17.250 8.698 -1.577
176 HH21 ARG 24 HH21 ARG 24 -17.561 9.976 1.562
177 HH22 ARG 24 HH22 ARG 24 -17.394 10.371 -0.145
178 H LEU 25 H LEU 25 -13.895 4.429 5.774
179 HA LEU 25 HA LEU 25 -12.513 3.099 6.936
180 HB2 LEU 25 HB2 LEU 25 -14.818 1.215 6.419
181 HB3 LEU 25 HB3 LEU 25 -13.405 0.646 7.290
182 HG LEU 25 HG LEU 25 -14.861 3.166 8.158
183 HD11 LEU 25 HD11 LEU 25 -16.515 1.391 8.168
184 HD12 LEU 25 HD12 LEU 25 -16.029 1.749 9.826
185 HD13 LEU 25 HD13 LEU 25 -15.398 0.295 9.017
186 HD21 LEU 25 HD21 LEU 25 -13.854 2.594 10.351
187 HD22 LEU 25 HD22 LEU 25 -12.603 2.807 9.126
188 HD23 LEU 25 HD23 LEU 25 -13.076 1.170 9.636
189 H TRP 26 H TRP 26 -13.091 1.945 3.722
190 HA TRP 26 HA TRP 26 -10.306 1.107 3.406
191 HB2 TRP 26 HB2 TRP 26 -11.332 -1.024 2.232
192 HB3 TRP 26 HB3 TRP 26 -11.002 -0.950 3.948
193 HD1 TRP 26 HD1 TRP 26 -12.870 -1.450 5.569
194 HE1 TRP 26 HE1 TRP 26 -15.436 -1.598 5.514
195 HE3 TRP 26 HE3 TRP 26 -13.706 0.072 0.763
196 HZ2 TRP 26 HZ2 TRP 26 -17.550 -1.250 3.623
197 HZ3 TRP 26 HZ3 TRP 26 -16.020 0.299 -0.087
198 HH2 TRP 26 HH2 TRP 26 -17.951 -0.380 1.319
199 H CYS 27 H CYS 27 -9.875 0.536 1.093
200 HA CYS 27 HA CYS 27 -11.674 1.868 -0.844
201 HB2 CYS 27 HB2 CYS 27 -8.660 1.527 -1.013
202 HB3 CYS 27 HB3 CYS 27 -9.699 2.175 -2.288
203 H LYS 28 H LYS 28 -12.291 0.888 -2.618
204 HA LYS 28 HA LYS 28 -11.505 -1.934 -3.149
205 HB2 LYS 28 HB2 LYS 28 -14.344 -0.953 -2.743
206 HB3 LYS 28 HB3 LYS 28 -13.941 -2.487 -3.507
207 HG2 LYS 28 HG2 LYS 28 -12.746 -3.248 -1.485
208 HG3 LYS 28 HG3 LYS 28 -13.053 -1.699 -0.699
209 HD2 LYS 28 HD2 LYS 28 -15.472 -2.080 -0.817
210 HD3 LYS 28 HD3 LYS 28 -15.222 -3.648 -1.571
211 HE2 LYS 28 HE2 LYS 28 -14.282 -4.612 0.348
212 HE3 LYS 28 HE3 LYS 28 -13.811 -3.046 1.034
213 HZ1 LYS 28 HZ1 LYS 28 -16.641 -3.806 0.675
214 HZ2 LYS 28 HZ2 LYS 28 -16.061 -2.550 1.520
215 HZ3 LYS 28 HZ3 LYS 28 -15.856 -4.072 2.093
216 H LYS 29 H LYS 29 -14.135 -1.086 -5.128
217 HA LYS 29 HA LYS 29 -12.524 0.544 -6.951
218 HB2 LYS 29 HB2 LYS 29 -12.555 -2.250 -7.345
219 HB3 LYS 29 HB3 LYS 29 -13.701 -1.638 -8.532
220 HG2 LYS 29 HG2 LYS 29 -11.967 -0.002 -9.313
221 HG3 LYS 29 HG3 LYS 29 -10.865 -0.610 -8.073
222 HD2 LYS 29 HD2 LYS 29 -10.091 -1.659 -9.953
223 HD3 LYS 29 HD3 LYS 29 -11.115 -2.914 -9.251
224 HE2 LYS 29 HE2 LYS 29 -12.882 -2.457 -10.858
225 HE3 LYS 29 HE3 LYS 29 -12.083 -0.960 -11.373
226 HZ1 LYS 29 HZ1 LYS 29 -11.067 -3.709 -11.902
227 HZ2 LYS 29 HZ2 LYS 29 -10.238 -2.307 -12.184
228 HZ3 LYS 29 HZ3 LYS 29 -11.612 -2.593 -12.988
229 H LYS 30 H LYS 30 -13.618 1.919 -8.161
230 HA LYS 30 HA LYS 30 -16.305 1.507 -9.079
231 HB2 LYS 30 HB2 LYS 30 -16.797 2.227 -6.763
232 HB3 LYS 30 HB3 LYS 30 -15.995 3.761 -7.072
233 HG2 LYS 30 HG2 LYS 30 -17.835 4.620 -8.068
234 HG3 LYS 30 HG3 LYS 30 -18.049 3.233 -9.102
235 HD2 LYS 30 HD2 LYS 30 -20.029 3.447 -7.907
236 HD3 LYS 30 HD3 LYS 30 -19.201 1.988 -7.347
237 HE2 LYS 30 HE2 LYS 30 -18.455 3.129 -5.325
238 HE3 LYS 30 HE3 LYS 30 -19.131 4.662 -5.893
239 HZ1 LYS 30 HZ1 LYS 30 -20.785 2.237 -5.385
240 HZ2 LYS 30 HZ2 LYS 30 -21.340 3.723 -5.750
241 HZ3 LYS 30 HZ3 LYS 30 -20.572 3.514 -4.334
242 H LEU 31 H LEU 31 -13.320 3.153 -9.449
243 HA LEU 31 HA LEU 31 -14.329 4.608 -11.823
244 HB2 LEU 31 HB2 LEU 31 -12.513 5.648 -10.691
245 HB3 LEU 31 HB3 LEU 31 -11.589 4.160 -10.629
246 HG LEU 31 HG LEU 31 -11.191 4.200 -13.032
247 HD11 LEU 31 HD11 LEU 31 -12.796 6.796 -13.012
248 HD12 LEU 31 HD12 LEU 31 -13.206 5.293 -13.870
249 HD13 LEU 31 HD13 LEU 31 -11.791 6.219 -14.357
250 HD21 LEU 31 HD21 LEU 31 -9.763 6.206 -13.069
251 HD22 LEU 31 HD22 LEU 31 -9.648 5.368 -11.514
252 HD23 LEU 31 HD23 LEU 31 -10.611 6.857 -11.651
253 H LEU 32 H LEU 32 -15.303 3.131 -13.073
254 HA LEU 32 HA LEU 32 -14.056 1.170 -14.666
255 HB2 LEU 32 HB2 LEU 32 -14.788 -0.939 -13.674
256 HB3 LEU 32 HB3 LEU 32 -13.734 -0.111 -12.578
257 HG LEU 32 HG LEU 32 -16.169 0.870 -11.685
258 HD11 LEU 32 HD11 LEU 32 -17.764 -1.023 -11.606
259 HD12 LEU 32 HD12 LEU 32 -16.681 -2.014 -12.593
260 HD13 LEU 32 HD13 LEU 32 -17.466 -0.583 -13.278
261 HD21 LEU 32 HD21 LEU 32 -15.974 -0.754 -9.880
262 HD22 LEU 32 HD22 LEU 32 -14.369 -0.167 -10.343
263 HD23 LEU 32 HD23 LEU 32 -14.921 -1.780 -10.869
Start of MODEL 12
1 H1 GLY 1 H1 GLY 1 3.825 1.723 -2.042
2 H2 GLY 1 H2 GLY 1 4.177 0.581 -3.168
3 H3 GLY 1 H3 GLY 1 2.759 1.411 -3.255
4 HA2 GLY 1 HA2 GLY 1 3.514 -0.415 -1.070
5 HA3 GLY 1 HA3 GLY 1 1.965 0.423 -1.234
6 HA PRO 2 HA PRO 2 2.409 -3.314 -4.369
7 HB2 PRO 2 HB2 PRO 2 2.877 -5.650 -3.010
8 HB3 PRO 2 HB3 PRO 2 4.190 -4.586 -3.590
9 HG2 PRO 2 HG2 PRO 2 2.958 -4.627 -0.820
10 HG3 PRO 2 HG3 PRO 2 4.691 -4.729 -1.245
11 HD2 PRO 2 HD2 PRO 2 3.548 -2.403 -0.537
12 HD3 PRO 2 HD3 PRO 2 4.729 -2.446 -1.886
13 H TYR 3 H TYR 3 0.931 -3.252 -1.184
14 HA TYR 3 HA TYR 3 -1.567 -4.343 -2.275
15 HB2 TYR 3 HB2 TYR 3 -1.869 -5.693 -0.133
16 HB3 TYR 3 HB3 TYR 3 -0.832 -6.306 -1.410
17 HD1 TYR 3 HD1 TYR 3 1.338 -7.047 -0.911
18 HD2 TYR 3 HD2 TYR 3 -0.646 -4.349 1.819
19 HE1 TYR 3 HE1 TYR 3 3.260 -7.188 0.651
20 HE2 TYR 3 HE2 TYR 3 1.322 -4.423 3.324
21 HH TYR 3 HH TYR 3 3.618 -4.967 3.382
22 H CYS 4 H CYS 4 -3.447 -3.554 -1.557
23 HA CYS 4 HA CYS 4 -3.620 -2.271 0.986
24 HB2 CYS 4 HB2 CYS 4 -4.386 0.011 -0.184
25 HB3 CYS 4 HB3 CYS 4 -2.772 -0.319 0.385
26 H GLN 5 H GLN 5 -5.337 -1.898 -2.155
27 HA GLN 5 HA GLN 5 -7.953 -1.916 -1.043
28 HB2 GLN 5 HB2 GLN 5 -7.622 -0.937 -3.138
29 HB3 GLN 5 HB3 GLN 5 -6.740 -2.303 -3.796
30 HG2 GLN 5 HG2 GLN 5 -9.657 -2.603 -3.055
31 HG3 GLN 5 HG3 GLN 5 -9.183 -1.773 -4.529
32 HE21 GLN 5 HE21 GLN 5 -7.517 -3.159 -5.959
33 HE22 GLN 5 HE22 GLN 5 -7.816 -4.901 -5.959
34 H LYS 6 H LYS 6 -6.154 -4.506 -2.623
35 HA LYS 6 HA LYS 6 -8.100 -6.511 -2.470
36 HB2 LYS 6 HB2 LYS 6 -5.671 -6.132 -3.681
37 HB3 LYS 6 HB3 LYS 6 -5.198 -7.307 -2.457
38 HG2 LYS 6 HG2 LYS 6 -6.874 -8.897 -3.335
39 HG3 LYS 6 HG3 LYS 6 -7.530 -7.644 -4.393
40 HD2 LYS 6 HD2 LYS 6 -5.326 -7.494 -5.578
41 HD3 LYS 6 HD3 LYS 6 -4.705 -8.787 -4.547
42 HE2 LYS 6 HE2 LYS 6 -5.331 -9.638 -6.738
43 HE3 LYS 6 HE3 LYS 6 -6.324 -10.368 -5.475
44 HZ1 LYS 6 HZ1 LYS 6 -7.222 -8.088 -7.162
45 HZ2 LYS 6 HZ2 LYS 6 -8.134 -8.921 -6.081
46 HZ3 LYS 6 HZ3 LYS 6 -7.617 -9.679 -7.425
47 H TRP 7 H TRP 7 -6.445 -5.246 0.142
48 HA TRP 7 HA TRP 7 -7.105 -7.471 1.971
49 HB2 TRP 7 HB2 TRP 7 -4.664 -7.513 0.835
50 HB3 TRP 7 HB3 TRP 7 -4.281 -6.365 2.050
51 HD1 TRP 7 HD1 TRP 7 -3.998 -9.796 1.312
52 HE1 TRP 7 HE1 TRP 7 -3.786 -11.371 3.327
53 HE3 TRP 7 HE3 TRP 7 -5.961 -6.776 5.012
54 HZ2 TRP 7 HZ2 TRP 7 -4.315 -11.324 6.115
55 HZ3 TRP 7 HZ3 TRP 7 -6.190 -7.630 7.289
56 HH2 TRP 7 HH2 TRP 7 -5.356 -9.890 7.878
57 H MET 8 H MET 8 -8.456 -5.161 1.758
58 HA MET 8 HA MET 8 -9.221 -3.331 2.971
59 HB2 MET 8 HB2 MET 8 -8.896 -5.643 4.912
60 HB3 MET 8 HB3 MET 8 -9.937 -4.238 5.186
61 HG2 MET 8 HG2 MET 8 -11.106 -4.738 3.018
62 HG3 MET 8 HG3 MET 8 -10.216 -6.260 2.953
63 HE1 MET 8 HE1 MET 8 -13.783 -7.459 3.854
64 HE2 MET 8 HE2 MET 8 -13.560 -5.913 2.998
65 HE3 MET 8 HE3 MET 8 -12.522 -7.311 2.617
66 H GLN 9 H GLN 9 -6.727 -2.404 2.738
67 HA GLN 9 HA GLN 9 -5.099 -2.101 4.883
68 HB2 GLN 9 HB2 GLN 9 -4.196 -0.143 3.727
69 HB3 GLN 9 HB3 GLN 9 -4.537 -1.457 2.642
70 HG2 GLN 9 HG2 GLN 9 -6.186 -0.301 1.497
71 HG3 GLN 9 HG3 GLN 9 -6.791 0.471 2.926
72 HE21 GLN 9 HE21 GLN 9 -6.848 2.611 2.212
73 HE22 GLN 9 HE22 GLN 9 -5.481 3.437 1.497
74 H THR 10 H THR 10 -8.165 -0.809 5.321
75 HA THR 10 HA THR 10 -9.119 0.938 6.400
76 HB THR 10 HB THR 10 -6.511 1.492 7.785
77 HG1 THR 10 HG1 THR 10 -7.123 -0.418 8.501
78 HG21 THR 10 HG21 THR 10 -9.380 2.372 8.321
79 HG22 THR 10 HG22 THR 10 -7.985 3.418 7.973
80 HG23 THR 10 HG23 THR 10 -8.039 2.509 9.477
81 H CYS 11 H CYS 11 -9.586 3.201 6.076
82 HA CYS 11 HA CYS 11 -7.858 4.737 4.317
83 HB2 CYS 11 HB2 CYS 11 -9.214 2.870 2.991
84 HB3 CYS 11 HB3 CYS 11 -10.502 4.065 3.068
85 H ASP 12 H ASP 12 -8.286 6.884 4.517
86 HA ASP 12 HA ASP 12 -10.627 7.848 6.056
87 HB2 ASP 12 HB2 ASP 12 -7.764 8.214 7.013
88 HB3 ASP 12 HB3 ASP 12 -9.246 8.615 7.865
89 H SER 13 H SER 13 -10.432 10.351 6.146
90 HA SER 13 HA SER 13 -9.778 11.578 3.738
91 HB2 SER 13 HB2 SER 13 -11.199 12.577 5.390
92 HB3 SER 13 HB3 SER 13 -9.856 12.775 6.518
93 HG SER 13 HG SER 13 -10.673 14.534 4.923
94 H GLU 14 H GLU 14 -7.597 11.235 6.528
95 HA GLU 14 HA GLU 14 -5.347 12.700 5.526
96 HB2 GLU 14 HB2 GLU 14 -5.580 12.200 7.845
97 HB3 GLU 14 HB3 GLU 14 -5.777 10.477 7.545
98 HG2 GLU 14 HG2 GLU 14 -3.406 10.287 6.887
99 HG3 GLU 14 HG3 GLU 14 -3.201 12.024 7.115
100 H ARG 15 H ARG 15 -6.444 9.446 4.720
101 HA ARG 15 HA ARG 15 -3.612 8.611 4.331
102 HB2 ARG 15 HB2 ARG 15 -4.745 7.725 6.268
103 HB3 ARG 15 HB3 ARG 15 -6.054 7.076 5.293
104 HG2 ARG 15 HG2 ARG 15 -3.306 6.180 4.482
105 HG3 ARG 15 HG3 ARG 15 -3.791 5.683 6.092
106 HD2 ARG 15 HD2 ARG 15 -5.787 4.604 5.252
107 HD3 ARG 15 HD3 ARG 15 -5.548 5.327 3.620
108 HE ARG 15 HE ARG 15 -3.962 3.730 3.143
109 HH11 ARG 15 HH11 ARG 15 -4.450 3.658 6.656
110 HH12 ARG 15 HH12 ARG 15 -3.599 2.146 6.784
111 HH21 ARG 15 HH21 ARG 15 -2.971 1.794 3.455
112 HH22 ARG 15 HH22 ARG 15 -2.546 1.310 5.105
113 H LYS 16 H LYS 16 -2.885 7.515 2.688
114 HA LYS 16 HA LYS 16 -3.888 8.042 0.173
115 HB2 LYS 16 HB2 LYS 16 -2.158 6.645 -0.716
116 HB3 LYS 16 HB3 LYS 16 -1.551 7.467 0.715
117 HG2 LYS 16 HG2 LYS 16 -2.063 5.279 2.008
118 HG3 LYS 16 HG3 LYS 16 -2.322 4.535 0.428
119 HD2 LYS 16 HD2 LYS 16 0.005 5.239 -0.235
120 HD3 LYS 16 HD3 LYS 16 0.237 5.840 1.422
121 HE2 LYS 16 HE2 LYS 16 -0.301 3.540 2.282
122 HE3 LYS 16 HE3 LYS 16 -0.417 2.965 0.612
123 HZ1 LYS 16 HZ1 LYS 16 2.010 4.058 1.932
124 HZ2 LYS 16 HZ2 LYS 16 1.958 3.653 0.342
125 HZ3 LYS 16 HZ3 LYS 16 1.781 2.494 1.459
126 H CYS 17 H CYS 17 -5.389 7.303 -1.118
127 HA CYS 17 HA CYS 17 -6.740 4.726 -0.566
128 HB2 CYS 17 HB2 CYS 17 -7.942 6.933 -1.126
129 HB3 CYS 17 HB3 CYS 17 -7.399 6.677 -2.771
130 H CYS 18 H CYS 18 -5.855 3.010 -1.402
131 HA CYS 18 HA CYS 18 -3.742 2.485 -2.926
132 HB2 CYS 18 HB2 CYS 18 -5.541 0.980 -1.775
133 HB3 CYS 18 HB3 CYS 18 -6.322 0.944 -3.351
134 H GLU 19 H GLU 19 -6.950 3.041 -4.421
135 HA GLU 19 HA GLU 19 -5.675 3.355 -7.106
136 HB2 GLU 19 HB2 GLU 19 -8.343 2.038 -6.532
137 HB3 GLU 19 HB3 GLU 19 -7.553 2.221 -8.109
138 HG2 GLU 19 HG2 GLU 19 -5.793 0.654 -7.430
139 HG3 GLU 19 HG3 GLU 19 -6.493 0.517 -5.817
140 H GLY 20 H GLY 20 -6.476 5.404 -5.043
141 HA2 GLY 20 HA2 GLY 20 -7.400 7.499 -5.028
142 HA3 GLY 20 HA3 GLY 20 -7.566 7.335 -6.779
143 H MET 21 H MET 21 -9.361 5.071 -4.984
144 HA MET 21 HA MET 21 -11.885 5.956 -6.029
145 HB2 MET 21 HB2 MET 21 -11.256 3.726 -4.060
146 HB3 MET 21 HB3 MET 21 -12.710 3.853 -5.047
147 HG2 MET 21 HG2 MET 21 -9.928 3.567 -6.221
148 HG3 MET 21 HG3 MET 21 -10.966 2.228 -5.824
149 HE1 MET 21 HE1 MET 21 -10.298 1.470 -8.087
150 HE2 MET 21 HE2 MET 21 -10.884 2.107 -9.629
151 HE3 MET 21 HE3 MET 21 -9.601 2.959 -8.759
152 H VAL 22 H VAL 22 -13.831 5.405 -4.312
153 HA VAL 22 HA VAL 22 -14.116 7.118 -2.036
154 HB VAL 22 HB VAL 22 -15.225 4.404 -2.838
155 HG11 VAL 22 HG11 VAL 22 -15.908 5.896 -0.274
156 HG12 VAL 22 HG12 VAL 22 -16.874 4.581 -0.983
157 HG13 VAL 22 HG13 VAL 22 -15.240 4.252 -0.408
158 HG21 VAL 22 HG21 VAL 22 -16.567 7.113 -2.420
159 HG22 VAL 22 HG22 VAL 22 -16.014 6.492 -3.985
160 HG23 VAL 22 HG23 VAL 22 -17.303 5.649 -3.111
161 H CYS 23 H CYS 23 -13.336 7.005 -0.031
162 HA CYS 23 HA CYS 23 -11.473 4.828 0.789
163 HB2 CYS 23 HB2 CYS 23 -10.358 6.725 -0.338
164 HB3 CYS 23 HB3 CYS 23 -11.078 7.833 0.798
165 H ARG 24 H ARG 24 -13.245 4.102 2.085
166 HA ARG 24 HA ARG 24 -13.377 5.299 4.781
167 HB2 ARG 24 HB2 ARG 24 -15.840 4.966 2.998
168 HB3 ARG 24 HB3 ARG 24 -15.927 4.893 4.751
169 HG2 ARG 24 HG2 ARG 24 -16.355 7.112 4.610
170 HG3 ARG 24 HG3 ARG 24 -14.603 7.206 4.583
171 HD2 ARG 24 HD2 ARG 24 -15.212 8.553 2.793
172 HD3 ARG 24 HD3 ARG 24 -14.812 7.035 1.983
173 HE ARG 24 HE ARG 24 -17.587 7.053 2.735
174 HH11 ARG 24 HH11 ARG 24 -15.447 8.719 0.492
175 HH12 ARG 24 HH12 ARG 24 -16.782 9.144 -0.569
176 HH21 ARG 24 HH21 ARG 24 -19.190 7.536 1.301
177 HH22 ARG 24 HH22 ARG 24 -18.846 8.456 -0.137
178 H LEU 25 H LEU 25 -12.827 3.686 6.046
179 HA LEU 25 HA LEU 25 -12.267 1.675 6.847
180 HB2 LEU 25 HB2 LEU 25 -14.554 0.423 5.317
181 HB3 LEU 25 HB3 LEU 25 -13.648 -0.283 6.642
182 HG LEU 25 HG LEU 25 -15.521 2.119 6.844
183 HD11 LEU 25 HD11 LEU 25 -15.722 -0.759 7.813
184 HD12 LEU 25 HD12 LEU 25 -16.656 -0.031 6.471
185 HD13 LEU 25 HD13 LEU 25 -16.907 0.517 8.139
186 HD21 LEU 25 HD21 LEU 25 -13.719 2.275 8.549
187 HD22 LEU 25 HD22 LEU 25 -14.020 0.596 9.031
188 HD23 LEU 25 HD23 LEU 25 -15.257 1.845 9.300
189 H TRP 26 H TRP 26 -12.809 1.637 3.336
190 HA TRP 26 HA TRP 26 -10.065 0.640 3.028
191 HB2 TRP 26 HB2 TRP 26 -11.526 -0.800 1.064
192 HB3 TRP 26 HB3 TRP 26 -10.538 -1.418 2.359
193 HD1 TRP 26 HD1 TRP 26 -11.753 -2.731 4.258
194 HE1 TRP 26 HE1 TRP 26 -14.175 -3.297 4.856
195 HE3 TRP 26 HE3 TRP 26 -14.103 0.427 1.002
196 HZ2 TRP 26 HZ2 TRP 26 -16.792 -2.215 4.262
197 HZ3 TRP 26 HZ3 TRP 26 -16.549 0.748 1.140
198 HH2 TRP 26 HH2 TRP 26 -17.908 -0.534 2.790
199 H CYS 27 H CYS 27 -9.278 0.880 0.889
200 HA CYS 27 HA CYS 27 -10.743 2.714 -0.947
201 HB2 CYS 27 HB2 CYS 27 -8.208 2.997 -0.441
202 HB3 CYS 27 HB3 CYS 27 -7.993 1.488 -1.326
203 H LYS 28 H LYS 28 -12.024 1.579 -2.428
204 HA LYS 28 HA LYS 28 -11.313 -1.276 -2.961
205 HB2 LYS 28 HB2 LYS 28 -13.427 -0.511 -1.363
206 HB3 LYS 28 HB3 LYS 28 -14.226 -0.740 -2.896
207 HG2 LYS 28 HG2 LYS 28 -14.276 -2.863 -1.821
208 HG3 LYS 28 HG3 LYS 28 -12.983 -3.021 -3.015
209 HD2 LYS 28 HD2 LYS 28 -11.330 -2.418 -1.136
210 HD3 LYS 28 HD3 LYS 28 -12.690 -2.506 -0.019
211 HE2 LYS 28 HE2 LYS 28 -11.655 -4.775 -1.769
212 HE3 LYS 28 HE3 LYS 28 -11.274 -4.542 -0.066
213 HZ1 LYS 28 HZ1 LYS 28 -13.738 -4.689 0.359
214 HZ2 LYS 28 HZ2 LYS 28 -13.110 -6.094 -0.242
215 HZ3 LYS 28 HZ3 LYS 28 -13.977 -5.107 -1.182
216 H LYS 29 H LYS 29 -14.063 -0.721 -4.759
217 HA LYS 29 HA LYS 29 -12.605 0.812 -6.837
218 HB2 LYS 29 HB2 LYS 29 -12.526 -1.735 -7.274
219 HB3 LYS 29 HB3 LYS 29 -14.234 -1.602 -7.669
220 HG2 LYS 29 HG2 LYS 29 -13.722 0.100 -9.391
221 HG3 LYS 29 HG3 LYS 29 -12.024 0.092 -8.938
222 HD2 LYS 29 HD2 LYS 29 -13.492 -2.337 -10.020
223 HD3 LYS 29 HD3 LYS 29 -12.585 -1.210 -11.024
224 HE2 LYS 29 HE2 LYS 29 -11.417 -2.913 -8.772
225 HE3 LYS 29 HE3 LYS 29 -11.324 -3.253 -10.504
226 HZ1 LYS 29 HZ1 LYS 29 -10.239 -0.905 -10.585
227 HZ2 LYS 29 HZ2 LYS 29 -9.340 -2.210 -10.131
228 HZ3 LYS 29 HZ3 LYS 29 -9.868 -1.161 -9.013
229 H LYS 30 H LYS 30 -13.693 2.398 -7.555
230 HA LYS 30 HA LYS 30 -16.691 2.408 -7.665
231 HB2 LYS 30 HB2 LYS 30 -15.069 4.155 -6.213
232 HB3 LYS 30 HB3 LYS 30 -15.316 5.034 -7.716
233 HG2 LYS 30 HG2 LYS 30 -17.510 3.891 -5.937
234 HG3 LYS 30 HG3 LYS 30 -16.958 5.565 -5.921
235 HD2 LYS 30 HD2 LYS 30 -17.686 5.882 -8.244
236 HD3 LYS 30 HD3 LYS 30 -18.264 4.218 -8.320
237 HE2 LYS 30 HE2 LYS 30 -19.325 6.312 -6.388
238 HE3 LYS 30 HE3 LYS 30 -20.056 5.885 -7.935
239 HZ1 LYS 30 HZ1 LYS 30 -20.151 3.546 -7.028
240 HZ2 LYS 30 HZ2 LYS 30 -21.176 4.616 -6.336
241 HZ3 LYS 30 HZ3 LYS 30 -19.814 4.161 -5.537
242 H LEU 31 H LEU 31 -13.677 3.108 -9.398
243 HA LEU 31 HA LEU 31 -14.897 4.013 -11.850
244 HB2 LEU 31 HB2 LEU 31 -12.143 3.138 -10.966
245 HB3 LEU 31 HB3 LEU 31 -12.455 3.371 -12.658
246 HG LEU 31 HG LEU 31 -11.368 5.279 -11.487
247 HD11 LEU 31 HD11 LEU 31 -12.401 5.503 -13.682
248 HD12 LEU 31 HD12 LEU 31 -12.613 6.980 -12.737
249 HD13 LEU 31 HD13 LEU 31 -13.974 5.858 -12.933
250 HD21 LEU 31 HD21 LEU 31 -12.711 5.407 -9.424
251 HD22 LEU 31 HD22 LEU 31 -14.140 5.888 -10.385
252 HD23 LEU 31 HD23 LEU 31 -12.708 6.924 -10.324
253 H LEU 32 H LEU 32 -16.359 1.877 -11.200
254 HA LEU 32 HA LEU 32 -15.686 -0.445 -12.973
255 HB2 LEU 32 HB2 LEU 32 -17.880 0.318 -10.964
256 HB3 LEU 32 HB3 LEU 32 -18.067 -1.071 -12.039
257 HG LEU 32 HG LEU 32 -15.557 -0.821 -10.343
258 HD11 LEU 32 HD11 LEU 32 -17.437 -0.577 -8.776
259 HD12 LEU 32 HD12 LEU 32 -16.663 -2.156 -8.590
260 HD13 LEU 32 HD13 LEU 32 -18.211 -2.023 -9.457
261 HD21 LEU 32 HD21 LEU 32 -15.603 -2.572 -12.118
262 HD22 LEU 32 HD22 LEU 32 -17.125 -3.204 -11.459
263 HD23 LEU 32 HD23 LEU 32 -15.636 -3.310 -10.511
Start of MODEL 13
1 H1 GLY 1 H1 GLY 1 1.998 -0.953 1.642
2 H2 GLY 1 H2 GLY 1 1.998 -2.519 2.120
3 H3 GLY 1 H3 GLY 1 3.193 -1.511 2.646
4 HA2 GLY 1 HA2 GLY 1 4.104 -1.304 0.482
5 HA3 GLY 1 HA3 GLY 1 3.981 -3.012 0.936
6 HA PRO 2 HA PRO 2 2.170 -2.748 -3.174
7 HB2 PRO 2 HB2 PRO 2 2.389 -5.352 -3.970
8 HB3 PRO 2 HB3 PRO 2 3.798 -4.267 -3.781
9 HG2 PRO 2 HG2 PRO 2 2.702 -6.250 -1.757
10 HG3 PRO 2 HG3 PRO 2 4.382 -6.103 -2.342
11 HD2 PRO 2 HD2 PRO 2 3.593 -4.925 -0.027
12 HD3 PRO 2 HD3 PRO 2 4.719 -4.087 -1.142
13 H TYR 3 H TYR 3 0.543 -3.871 -0.529
14 HA TYR 3 HA TYR 3 -1.899 -4.319 -2.114
15 HB2 TYR 3 HB2 TYR 3 -2.699 -6.006 -0.481
16 HB3 TYR 3 HB3 TYR 3 -1.390 -6.498 -1.534
17 HD1 TYR 3 HD1 TYR 3 0.872 -6.972 -0.680
18 HD2 TYR 3 HD2 TYR 3 -2.291 -5.683 1.932
19 HE1 TYR 3 HE1 TYR 3 2.244 -7.629 1.302
20 HE2 TYR 3 HE2 TYR 3 -0.961 -6.399 3.897
21 HH TYR 3 HH TYR 3 2.219 -7.927 3.653
22 H CYS 4 H CYS 4 -3.633 -3.216 -1.688
23 HA CYS 4 HA CYS 4 -4.055 -2.091 0.982
24 HB2 CYS 4 HB2 CYS 4 -4.281 0.238 -0.371
25 HB3 CYS 4 HB3 CYS 4 -2.898 -0.258 0.554
26 H GLN 5 H GLN 5 -5.320 -1.679 -2.396
27 HA GLN 5 HA GLN 5 -8.076 -1.372 -1.495
28 HB2 GLN 5 HB2 GLN 5 -7.442 -0.457 -3.607
29 HB3 GLN 5 HB3 GLN 5 -6.807 -1.986 -4.199
30 HG2 GLN 5 HG2 GLN 5 -9.755 -1.676 -3.516
31 HG3 GLN 5 HG3 GLN 5 -9.116 -1.088 -5.038
32 HE21 GLN 5 HE21 GLN 5 -7.900 -2.751 -6.418
33 HE22 GLN 5 HE22 GLN 5 -8.410 -4.440 -6.265
34 H LYS 6 H LYS 6 -6.119 -4.010 -2.749
35 HA LYS 6 HA LYS 6 -8.082 -6.092 -2.601
36 HB2 LYS 6 HB2 LYS 6 -6.025 -5.675 -4.082
37 HB3 LYS 6 HB3 LYS 6 -5.046 -6.310 -2.762
38 HG2 LYS 6 HG2 LYS 6 -5.897 -8.491 -3.061
39 HG3 LYS 6 HG3 LYS 6 -7.339 -7.928 -3.913
40 HD2 LYS 6 HD2 LYS 6 -5.928 -7.131 -5.803
41 HD3 LYS 6 HD3 LYS 6 -4.483 -7.749 -4.999
42 HE2 LYS 6 HE2 LYS 6 -6.873 -9.505 -5.689
43 HE3 LYS 6 HE3 LYS 6 -5.595 -9.160 -6.864
44 HZ1 LYS 6 HZ1 LYS 6 -3.994 -10.161 -5.372
45 HZ2 LYS 6 HZ2 LYS 6 -5.214 -11.210 -5.681
46 HZ3 LYS 6 HZ3 LYS 6 -5.190 -10.469 -4.240
47 H TRP 7 H TRP 7 -6.838 -4.561 0.003
48 HA TRP 7 HA TRP 7 -7.072 -6.899 1.799
49 HB2 TRP 7 HB2 TRP 7 -4.682 -6.632 0.796
50 HB3 TRP 7 HB3 TRP 7 -4.552 -5.225 1.836
51 HD1 TRP 7 HD1 TRP 7 -3.827 -5.762 4.309
52 HE1 TRP 7 HE1 TRP 7 -3.332 -7.918 5.655
53 HE3 TRP 7 HE3 TRP 7 -5.996 -9.152 1.185
54 HZ2 TRP 7 HZ2 TRP 7 -3.752 -10.736 5.346
55 HZ3 TRP 7 HZ3 TRP 7 -5.980 -11.597 1.765
56 HH2 TRP 7 HH2 TRP 7 -4.800 -12.376 3.795
57 H MET 8 H MET 8 -8.450 -4.223 1.360
58 HA MET 8 HA MET 8 -9.408 -2.568 2.591
59 HB2 MET 8 HB2 MET 8 -9.221 -4.764 4.677
60 HB3 MET 8 HB3 MET 8 -10.224 -3.322 4.851
61 HG2 MET 8 HG2 MET 8 -11.640 -3.938 3.031
62 HG3 MET 8 HG3 MET 8 -10.522 -5.187 2.489
63 HE1 MET 8 HE1 MET 8 -13.023 -5.675 6.387
64 HE2 MET 8 HE2 MET 8 -11.830 -4.380 6.180
65 HE3 MET 8 HE3 MET 8 -13.359 -4.357 5.256
66 H GLN 9 H GLN 9 -7.262 -1.422 2.362
67 HA GLN 9 HA GLN 9 -5.415 -1.131 4.379
68 HB2 GLN 9 HB2 GLN 9 -4.613 0.763 3.093
69 HB3 GLN 9 HB3 GLN 9 -5.066 -0.570 2.071
70 HG2 GLN 9 HG2 GLN 9 -7.139 0.492 1.369
71 HG3 GLN 9 HG3 GLN 9 -6.962 1.765 2.577
72 HE21 GLN 9 HE21 GLN 9 -4.250 2.477 2.226
73 HE22 GLN 9 HE22 GLN 9 -4.118 3.232 0.648
74 H THR 10 H THR 10 -7.875 -0.620 5.913
75 HA THR 10 HA THR 10 -8.863 0.900 7.346
76 HB THR 10 HB THR 10 -6.008 1.688 8.010
77 HG1 THR 10 HG1 THR 10 -6.009 -0.106 9.323
78 HG21 THR 10 HG21 THR 10 -7.731 2.782 9.356
79 HG22 THR 10 HG22 THR 10 -7.018 1.502 10.338
80 HG23 THR 10 HG23 THR 10 -8.592 1.245 9.571
81 H CYS 11 H CYS 11 -9.541 2.107 5.324
82 HA CYS 11 HA CYS 11 -7.910 4.346 4.515
83 HB2 CYS 11 HB2 CYS 11 -9.343 2.700 3.132
84 HB3 CYS 11 HB3 CYS 11 -10.648 3.867 3.379
85 H ASP 12 H ASP 12 -7.879 5.498 6.441
86 HA ASP 12 HA ASP 12 -10.121 7.133 7.312
87 HB2 ASP 12 HB2 ASP 12 -7.137 7.158 7.916
88 HB3 ASP 12 HB3 ASP 12 -8.291 8.273 8.648
89 H SER 13 H SER 13 -9.957 9.556 7.367
90 HA SER 13 HA SER 13 -10.302 10.663 4.904
91 HB2 SER 13 HB2 SER 13 -11.079 11.892 6.672
92 HB3 SER 13 HB3 SER 13 -9.565 11.794 7.570
93 HG SER 13 HG SER 13 -8.965 13.586 6.758
94 H GLU 14 H GLU 14 -7.120 10.716 6.538
95 HA GLU 14 HA GLU 14 -5.889 12.016 4.182
96 HB2 GLU 14 HB2 GLU 14 -4.680 11.373 6.904
97 HB3 GLU 14 HB3 GLU 14 -4.000 12.384 5.637
98 HG2 GLU 14 HG2 GLU 14 -4.876 13.910 7.175
99 HG3 GLU 14 HG3 GLU 14 -6.011 13.910 5.831
100 H ARG 15 H ARG 15 -6.623 8.917 4.497
101 HA ARG 15 HA ARG 15 -3.944 7.758 4.522
102 HB2 ARG 15 HB2 ARG 15 -6.128 6.850 5.578
103 HB3 ARG 15 HB3 ARG 15 -6.473 6.174 3.985
104 HG2 ARG 15 HG2 ARG 15 -3.786 5.787 5.397
105 HG3 ARG 15 HG3 ARG 15 -5.167 4.767 5.804
106 HD2 ARG 15 HD2 ARG 15 -5.195 3.673 3.790
107 HD3 ARG 15 HD3 ARG 15 -4.534 5.049 2.870
108 HE ARG 15 HE ARG 15 -2.369 4.402 3.375
109 HH11 ARG 15 HH11 ARG 15 -4.484 2.536 5.532
110 HH12 ARG 15 HH12 ARG 15 -3.073 1.967 6.420
111 HH21 ARG 15 HH21 ARG 15 -0.697 3.251 4.440
112 HH22 ARG 15 HH22 ARG 15 -1.155 2.293 5.820
113 H LYS 16 H LYS 16 -2.676 7.465 2.803
114 HA LYS 16 HA LYS 16 -3.317 8.058 0.144
115 HB2 LYS 16 HB2 LYS 16 -1.255 6.894 -0.503
116 HB3 LYS 16 HB3 LYS 16 -1.070 8.118 0.731
117 HG2 LYS 16 HG2 LYS 16 -0.526 6.606 2.412
118 HG3 LYS 16 HG3 LYS 16 -1.311 5.235 1.644
119 HD2 LYS 16 HD2 LYS 16 1.148 6.579 0.466
120 HD3 LYS 16 HD3 LYS 16 1.244 5.244 1.626
121 HE2 LYS 16 HE2 LYS 16 0.066 3.742 0.146
122 HE3 LYS 16 HE3 LYS 16 -0.321 5.047 -0.982
123 HZ1 LYS 16 HZ1 LYS 16 2.463 4.174 -0.400
124 HZ2 LYS 16 HZ2 LYS 16 2.022 5.274 -1.485
125 HZ3 LYS 16 HZ3 LYS 16 1.578 3.734 -1.757
126 H CYS 17 H CYS 17 -5.055 7.224 -0.802
127 HA CYS 17 HA CYS 17 -5.804 4.485 -0.706
128 HB2 CYS 17 HB2 CYS 17 -7.413 6.207 -1.217
129 HB3 CYS 17 HB3 CYS 17 -6.525 6.656 -2.678
130 H CYS 18 H CYS 18 -5.439 2.774 -1.939
131 HA CYS 18 HA CYS 18 -3.076 2.310 -3.313
132 HB2 CYS 18 HB2 CYS 18 -5.132 0.867 -2.266
133 HB3 CYS 18 HB3 CYS 18 -5.537 0.713 -3.955
134 H GLU 19 H GLU 19 -6.124 3.390 -4.673
135 HA GLU 19 HA GLU 19 -5.092 3.200 -7.489
136 HB2 GLU 19 HB2 GLU 19 -7.800 2.408 -6.366
137 HB3 GLU 19 HB3 GLU 19 -7.410 2.489 -8.092
138 HG2 GLU 19 HG2 GLU 19 -5.708 0.709 -7.766
139 HG3 GLU 19 HG3 GLU 19 -6.149 0.601 -6.062
140 H GLY 20 H GLY 20 -6.832 5.141 -5.156
141 HA2 GLY 20 HA2 GLY 20 -7.792 7.287 -5.402
142 HA3 GLY 20 HA3 GLY 20 -7.599 7.181 -7.158
143 H MET 21 H MET 21 -9.456 5.880 -4.417
144 HA MET 21 HA MET 21 -11.874 5.436 -6.059
145 HB2 MET 21 HB2 MET 21 -10.534 3.300 -4.347
146 HB3 MET 21 HB3 MET 21 -12.138 3.186 -5.053
147 HG2 MET 21 HG2 MET 21 -9.642 3.515 -6.701
148 HG3 MET 21 HG3 MET 21 -10.312 1.951 -6.258
149 HE1 MET 21 HE1 MET 21 -9.652 3.827 -8.997
150 HE2 MET 21 HE2 MET 21 -9.769 2.058 -9.063
151 HE3 MET 21 HE3 MET 21 -10.747 3.057 -10.156
152 H VAL 22 H VAL 22 -13.659 4.554 -4.418
153 HA VAL 22 HA VAL 22 -14.164 6.549 -2.420
154 HB VAL 22 HB VAL 22 -15.357 3.786 -2.923
155 HG11 VAL 22 HG11 VAL 22 -16.329 5.978 -1.051
156 HG12 VAL 22 HG12 VAL 22 -17.285 4.562 -1.540
157 HG13 VAL 22 HG13 VAL 22 -15.825 4.330 -0.582
158 HG21 VAL 22 HG21 VAL 22 -16.399 6.596 -3.511
159 HG22 VAL 22 HG22 VAL 22 -15.722 5.485 -4.714
160 HG23 VAL 22 HG23 VAL 22 -17.227 5.068 -3.879
161 H CYS 23 H CYS 23 -13.382 6.734 -0.432
162 HA CYS 23 HA CYS 23 -11.807 4.535 0.817
163 HB2 CYS 23 HB2 CYS 23 -10.500 6.297 -0.205
164 HB3 CYS 23 HB3 CYS 23 -11.411 7.523 0.659
165 H ARG 24 H ARG 24 -13.316 3.728 2.248
166 HA ARG 24 HA ARG 24 -13.884 5.248 4.715
167 HB2 ARG 24 HB2 ARG 24 -16.185 4.030 3.101
168 HB3 ARG 24 HB3 ARG 24 -16.262 4.562 4.763
169 HG2 ARG 24 HG2 ARG 24 -17.205 6.372 3.780
170 HG3 ARG 24 HG3 ARG 24 -15.518 6.926 3.791
171 HD2 ARG 24 HD2 ARG 24 -15.289 6.096 1.420
172 HD3 ARG 24 HD3 ARG 24 -16.927 5.444 1.513
173 HE ARG 24 HE ARG 24 -16.237 8.364 1.802
174 HH11 ARG 24 HH11 ARG 24 -18.380 5.863 0.488
175 HH12 ARG 24 HH12 ARG 24 -19.462 7.050 -0.177
176 HH21 ARG 24 HH21 ARG 24 -17.802 9.751 1.131
177 HH22 ARG 24 HH22 ARG 24 -19.260 9.171 0.368
178 H LEU 25 H LEU 25 -13.042 3.859 6.145
179 HA LEU 25 HA LEU 25 -12.045 2.073 7.071
180 HB2 LEU 25 HB2 LEU 25 -14.449 0.516 6.038
181 HB3 LEU 25 HB3 LEU 25 -13.158 -0.153 7.015
182 HG LEU 25 HG LEU 25 -13.685 1.644 8.772
183 HD11 LEU 25 HD11 LEU 25 -16.057 2.384 8.812
184 HD12 LEU 25 HD12 LEU 25 -16.266 1.767 7.147
185 HD13 LEU 25 HD13 LEU 25 -15.169 3.125 7.489
186 HD21 LEU 25 HD21 LEU 25 -15.738 -0.520 8.130
187 HD22 LEU 25 HD22 LEU 25 -15.477 0.247 9.715
188 HD23 LEU 25 HD23 LEU 25 -14.209 -0.754 9.010
189 H TRP 26 H TRP 26 -12.930 1.453 3.716
190 HA TRP 26 HA TRP 26 -10.199 0.456 3.165
191 HB2 TRP 26 HB2 TRP 26 -11.520 -1.136 1.517
192 HB3 TRP 26 HB3 TRP 26 -11.170 -1.542 3.175
193 HD1 TRP 26 HD1 TRP 26 -12.982 -2.215 4.723
194 HE1 TRP 26 HE1 TRP 26 -15.533 -2.292 4.748
195 HE3 TRP 26 HE3 TRP 26 -13.892 0.668 0.590
196 HZ2 TRP 26 HZ2 TRP 26 -17.696 -1.196 3.194
197 HZ3 TRP 26 HZ3 TRP 26 -16.211 1.251 -0.026
198 HH2 TRP 26 HH2 TRP 26 -18.132 0.294 1.240
199 H CYS 27 H CYS 27 -9.588 0.641 0.853
200 HA CYS 27 HA CYS 27 -11.129 2.774 -0.519
201 HB2 CYS 27 HB2 CYS 27 -8.497 2.954 -0.091
202 HB3 CYS 27 HB3 CYS 27 -8.472 2.018 -1.585
203 H LYS 28 H LYS 28 -12.526 1.957 -2.059
204 HA LYS 28 HA LYS 28 -11.848 -0.713 -3.215
205 HB2 LYS 28 HB2 LYS 28 -14.355 0.022 -1.728
206 HB3 LYS 28 HB3 LYS 28 -14.311 -1.308 -2.869
207 HG2 LYS 28 HG2 LYS 28 -12.560 -1.091 -0.400
208 HG3 LYS 28 HG3 LYS 28 -14.012 -2.077 -0.562
209 HD2 LYS 28 HD2 LYS 28 -12.807 -3.283 -2.494
210 HD3 LYS 28 HD3 LYS 28 -11.335 -2.475 -1.943
211 HE2 LYS 28 HE2 LYS 28 -11.624 -3.465 0.311
212 HE3 LYS 28 HE3 LYS 28 -13.117 -4.260 -0.231
213 HZ1 LYS 28 HZ1 LYS 28 -11.810 -5.491 -1.854
214 HZ2 LYS 28 HZ2 LYS 28 -11.241 -5.795 -0.372
215 HZ3 LYS 28 HZ3 LYS 28 -10.423 -4.760 -1.372
216 H LYS 29 H LYS 29 -12.574 -1.434 -4.936
217 HA LYS 29 HA LYS 29 -12.441 0.461 -7.045
218 HB2 LYS 29 HB2 LYS 29 -11.194 -1.674 -6.679
219 HB3 LYS 29 HB3 LYS 29 -12.652 -2.575 -7.095
220 HG2 LYS 29 HG2 LYS 29 -12.566 -1.557 -9.394
221 HG3 LYS 29 HG3 LYS 29 -11.133 -0.653 -8.895
222 HD2 LYS 29 HD2 LYS 29 -10.253 -3.101 -8.184
223 HD3 LYS 29 HD3 LYS 29 -11.481 -3.639 -9.326
224 HE2 LYS 29 HE2 LYS 29 -9.291 -3.529 -10.379
225 HE3 LYS 29 HE3 LYS 29 -10.357 -2.321 -11.115
226 HZ1 LYS 29 HZ1 LYS 29 -8.085 -1.482 -10.527
227 HZ2 LYS 29 HZ2 LYS 29 -8.456 -1.614 -8.916
228 HZ3 LYS 29 HZ3 LYS 29 -9.292 -0.613 -9.880
229 H LYS 30 H LYS 30 -14.573 1.506 -6.741
230 HA LYS 30 HA LYS 30 -16.850 0.103 -8.028
231 HB2 LYS 30 HB2 LYS 30 -18.181 1.944 -7.482
232 HB3 LYS 30 HB3 LYS 30 -17.183 1.632 -6.077
233 HG2 LYS 30 HG2 LYS 30 -16.081 3.588 -6.176
234 HG3 LYS 30 HG3 LYS 30 -16.040 3.675 -7.929
235 HD2 LYS 30 HD2 LYS 30 -18.685 4.063 -6.499
236 HD3 LYS 30 HD3 LYS 30 -17.494 5.354 -6.546
237 HE2 LYS 30 HE2 LYS 30 -18.973 5.757 -8.337
238 HE3 LYS 30 HE3 LYS 30 -17.425 5.274 -9.010
239 HZ1 LYS 30 HZ1 LYS 30 -19.809 3.506 -8.787
240 HZ2 LYS 30 HZ2 LYS 30 -18.379 3.093 -9.495
241 HZ3 LYS 30 HZ3 LYS 30 -19.306 4.245 -10.160
242 H LEU 31 H LEU 31 -14.175 1.678 -9.331
243 HA LEU 31 HA LEU 31 -15.572 3.136 -11.440
244 HB2 LEU 31 HB2 LEU 31 -13.476 3.904 -10.442
245 HB3 LEU 31 HB3 LEU 31 -12.632 2.483 -11.057
246 HG LEU 31 HG LEU 31 -14.113 4.177 -13.064
247 HD11 LEU 31 HD11 LEU 31 -11.457 5.035 -11.856
248 HD12 LEU 31 HD12 LEU 31 -13.026 5.870 -11.653
249 HD13 LEU 31 HD13 LEU 31 -12.279 5.766 -13.248
250 HD21 LEU 31 HD21 LEU 31 -12.117 3.689 -14.450
251 HD22 LEU 31 HD22 LEU 31 -12.813 2.197 -13.835
252 HD23 LEU 31 HD23 LEU 31 -11.349 2.864 -13.079
253 H LEU 32 H LEU 32 -16.304 2.333 -13.305
254 HA LEU 32 HA LEU 32 -14.916 0.211 -14.737
255 HB2 LEU 32 HB2 LEU 32 -16.557 -1.462 -14.674
256 HB3 LEU 32 HB3 LEU 32 -16.289 -1.043 -12.991
257 HG LEU 32 HG LEU 32 -18.663 -0.079 -14.702
258 HD11 LEU 32 HD11 LEU 32 -18.512 -2.220 -12.542
259 HD12 LEU 32 HD12 LEU 32 -18.699 -2.507 -14.284
260 HD13 LEU 32 HD13 LEU 32 -19.975 -1.681 -13.388
261 HD21 LEU 32 HD21 LEU 32 -18.253 1.500 -12.810
262 HD22 LEU 32 HD22 LEU 32 -18.215 0.124 -11.684
263 HD23 LEU 32 HD23 LEU 32 -19.706 0.554 -12.544
Start of MODEL 14
1 H1 GLY 1 H1 GLY 1 2.726 -4.379 3.430
2 H2 GLY 1 H2 GLY 1 1.271 -4.954 3.939
3 H3 GLY 1 H3 GLY 1 2.647 -5.847 4.163
4 HA2 GLY 1 HA2 GLY 1 2.917 -6.224 1.868
5 HA3 GLY 1 HA3 GLY 1 1.264 -6.682 2.330
6 HA PRO 2 HA PRO 2 1.750 -2.954 -0.668
7 HB2 PRO 2 HB2 PRO 2 2.046 -3.965 -3.188
8 HB3 PRO 2 HB3 PRO 2 3.413 -3.774 -2.047
9 HG2 PRO 2 HG2 PRO 2 1.774 -6.269 -2.610
10 HG3 PRO 2 HG3 PRO 2 3.562 -6.101 -2.576
11 HD2 PRO 2 HD2 PRO 2 2.169 -7.015 -0.421
12 HD3 PRO 2 HD3 PRO 2 3.599 -5.956 -0.238
13 H TYR 3 H TYR 3 -0.369 -5.737 -0.850
14 HA TYR 3 HA TYR 3 -2.010 -4.636 -2.945
15 HB2 TYR 3 HB2 TYR 3 -1.991 -7.246 -1.555
16 HB3 TYR 3 HB3 TYR 3 -3.369 -6.773 -2.527
17 HD1 TYR 3 HD1 TYR 3 -0.045 -8.143 -2.622
18 HD2 TYR 3 HD2 TYR 3 -3.121 -6.197 -4.946
19 HE1 TYR 3 HE1 TYR 3 0.908 -9.107 -4.711
20 HE2 TYR 3 HE2 TYR 3 -2.158 -7.182 -7.027
21 HH TYR 3 HH TYR 3 0.628 -9.408 -6.961
22 H CYS 4 H CYS 4 -2.174 -2.732 -1.302
23 HA CYS 4 HA CYS 4 -3.679 -2.413 0.820
24 HB2 CYS 4 HB2 CYS 4 -4.377 -0.115 -0.334
25 HB3 CYS 4 HB3 CYS 4 -2.750 -0.496 0.159
26 H GLN 5 H GLN 5 -5.339 -2.393 -2.354
27 HA GLN 5 HA GLN 5 -7.962 -1.967 -1.285
28 HB2 GLN 5 HB2 GLN 5 -7.447 -1.258 -3.448
29 HB3 GLN 5 HB3 GLN 5 -6.784 -2.803 -3.939
30 HG2 GLN 5 HG2 GLN 5 -9.701 -2.788 -3.216
31 HG3 GLN 5 HG3 GLN 5 -9.230 -1.870 -4.646
32 HE21 GLN 5 HE21 GLN 5 -7.756 -3.058 -6.276
33 HE22 GLN 5 HE22 GLN 5 -8.103 -4.762 -6.501
34 H LYS 6 H LYS 6 -6.237 -4.952 -2.119
35 HA LYS 6 HA LYS 6 -8.445 -6.765 -1.490
36 HB2 LYS 6 HB2 LYS 6 -5.531 -7.063 -2.184
37 HB3 LYS 6 HB3 LYS 6 -6.428 -8.442 -1.549
38 HG2 LYS 6 HG2 LYS 6 -7.922 -8.501 -3.357
39 HG3 LYS 6 HG3 LYS 6 -7.499 -6.881 -3.919
40 HD2 LYS 6 HD2 LYS 6 -5.520 -7.522 -4.904
41 HD3 LYS 6 HD3 LYS 6 -5.275 -8.905 -3.847
42 HE2 LYS 6 HE2 LYS 6 -7.478 -8.782 -5.950
43 HE3 LYS 6 HE3 LYS 6 -5.864 -9.436 -6.263
44 HZ1 LYS 6 HZ1 LYS 6 -7.634 -10.491 -4.134
45 HZ2 LYS 6 HZ2 LYS 6 -6.211 -11.114 -4.599
46 HZ3 LYS 6 HZ3 LYS 6 -7.497 -11.152 -5.633
47 H TRP 7 H TRP 7 -5.620 -5.573 0.237
48 HA TRP 7 HA TRP 7 -6.131 -7.196 2.608
49 HB2 TRP 7 HB2 TRP 7 -3.957 -5.467 1.597
50 HB3 TRP 7 HB3 TRP 7 -4.182 -5.383 3.326
51 HD1 TRP 7 HD1 TRP 7 -3.623 -7.440 4.773
52 HE1 TRP 7 HE1 TRP 7 -2.762 -9.814 4.380
53 HE3 TRP 7 HE3 TRP 7 -4.017 -7.566 -0.289
54 HZ2 TRP 7 HZ2 TRP 7 -2.237 -11.545 2.116
55 HZ3 TRP 7 HZ3 TRP 7 -3.428 -9.624 -1.547
56 HH2 TRP 7 HH2 TRP 7 -2.523 -11.604 -0.365
57 H MET 8 H MET 8 -7.595 -4.432 1.634
58 HA MET 8 HA MET 8 -8.940 -2.898 2.601
59 HB2 MET 8 HB2 MET 8 -8.924 -4.749 5.001
60 HB3 MET 8 HB3 MET 8 -10.010 -3.391 4.791
61 HG2 MET 8 HG2 MET 8 -11.248 -4.425 3.127
62 HG3 MET 8 HG3 MET 8 -9.930 -5.470 2.609
63 HE1 MET 8 HE1 MET 8 -9.300 -7.656 3.433
64 HE2 MET 8 HE2 MET 8 -8.836 -7.052 5.042
65 HE3 MET 8 HE3 MET 8 -9.903 -8.461 4.890
66 H GLN 9 H GLN 9 -6.843 -1.773 2.358
67 HA GLN 9 HA GLN 9 -5.097 -0.986 4.318
68 HB2 GLN 9 HB2 GLN 9 -4.544 0.829 2.757
69 HB3 GLN 9 HB3 GLN 9 -4.809 -0.682 1.935
70 HG2 GLN 9 HG2 GLN 9 -6.615 0.100 0.754
71 HG3 GLN 9 HG3 GLN 9 -7.328 0.877 2.159
72 HE21 GLN 9 HE21 GLN 9 -5.874 2.870 2.949
73 HE22 GLN 9 HE22 GLN 9 -5.432 3.969 1.626
74 H THR 10 H THR 10 -7.693 -0.642 5.589
75 HA THR 10 HA THR 10 -8.893 0.785 6.938
76 HB THR 10 HB THR 10 -6.092 1.502 7.811
77 HG1 THR 10 HG1 THR 10 -6.102 -0.443 8.785
78 HG21 THR 10 HG21 THR 10 -7.681 2.524 9.278
79 HG22 THR 10 HG22 THR 10 -7.371 0.960 10.053
80 HG23 THR 10 HG23 THR 10 -8.831 1.189 9.094
81 H CYS 11 H CYS 11 -9.506 2.092 4.962
82 HA CYS 11 HA CYS 11 -8.128 4.647 4.676
83 HB2 CYS 11 HB2 CYS 11 -9.310 2.978 2.900
84 HB3 CYS 11 HB3 CYS 11 -10.556 4.212 3.058
85 H ASP 12 H ASP 12 -9.149 6.750 4.769
86 HA ASP 12 HA ASP 12 -10.759 7.073 7.231
87 HB2 ASP 12 HB2 ASP 12 -8.607 5.632 7.631
88 HB3 ASP 12 HB3 ASP 12 -7.691 7.077 7.205
89 H SER 13 H SER 13 -9.792 9.334 8.201
90 HA SER 13 HA SER 13 -9.981 11.397 6.211
91 HB2 SER 13 HB2 SER 13 -10.497 11.843 8.528
92 HB3 SER 13 HB3 SER 13 -8.845 11.429 8.990
93 HG SER 13 HG SER 13 -9.838 13.770 7.924
94 H GLU 14 H GLU 14 -7.019 10.148 7.866
95 HA GLU 14 HA GLU 14 -5.394 11.938 6.200
96 HB2 GLU 14 HB2 GLU 14 -5.313 11.603 8.711
97 HB3 GLU 14 HB3 GLU 14 -4.456 10.096 8.413
98 HG2 GLU 14 HG2 GLU 14 -2.572 11.230 7.477
99 HG3 GLU 14 HG3 GLU 14 -3.498 12.703 7.194
100 H ARG 15 H ARG 15 -6.622 9.340 5.041
101 HA ARG 15 HA ARG 15 -4.145 7.794 4.500
102 HB2 ARG 15 HB2 ARG 15 -7.032 7.102 4.684
103 HB3 ARG 15 HB3 ARG 15 -6.053 6.144 3.579
104 HG2 ARG 15 HG2 ARG 15 -4.994 6.709 6.374
105 HG3 ARG 15 HG3 ARG 15 -6.220 5.461 6.137
106 HD2 ARG 15 HD2 ARG 15 -4.889 4.158 4.715
107 HD3 ARG 15 HD3 ARG 15 -3.786 5.520 4.331
108 HE ARG 15 HE ARG 15 -2.951 5.445 6.633
109 HH11 ARG 15 HH11 ARG 15 -4.653 2.463 5.710
110 HH12 ARG 15 HH12 ARG 15 -3.533 1.503 6.664
111 HH21 ARG 15 HH21 ARG 15 -1.697 4.183 7.787
112 HH22 ARG 15 HH22 ARG 15 -2.035 2.472 7.946
113 H LYS 16 H LYS 16 -3.072 7.849 2.815
114 HA LYS 16 HA LYS 16 -3.953 8.528 0.144
115 HB2 LYS 16 HB2 LYS 16 -1.922 7.420 -0.591
116 HB3 LYS 16 HB3 LYS 16 -1.569 8.422 0.812
117 HG2 LYS 16 HG2 LYS 16 -1.678 6.318 2.253
118 HG3 LYS 16 HG3 LYS 16 -1.907 5.392 0.772
119 HD2 LYS 16 HD2 LYS 16 0.307 5.200 0.634
120 HD3 LYS 16 HD3 LYS 16 0.381 6.896 0.180
121 HE2 LYS 16 HE2 LYS 16 0.630 5.747 3.002
122 HE3 LYS 16 HE3 LYS 16 1.950 6.335 1.988
123 HZ1 LYS 16 HZ1 LYS 16 1.368 8.038 3.519
124 HZ2 LYS 16 HZ2 LYS 16 -0.220 8.008 3.146
125 HZ3 LYS 16 HZ3 LYS 16 0.892 8.561 2.059
126 H CYS 17 H CYS 17 -4.350 7.025 -1.593
127 HA CYS 17 HA CYS 17 -5.898 4.627 -0.718
128 HB2 CYS 17 HB2 CYS 17 -7.357 6.535 -0.837
129 HB3 CYS 17 HB3 CYS 17 -6.743 6.943 -2.435
130 H CYS 18 H CYS 18 -5.842 2.920 -1.910
131 HA CYS 18 HA CYS 18 -3.738 2.275 -3.446
132 HB2 CYS 18 HB2 CYS 18 -5.663 0.950 -2.206
133 HB3 CYS 18 HB3 CYS 18 -6.362 0.827 -3.809
134 H GLU 19 H GLU 19 -6.832 3.339 -4.886
135 HA GLU 19 HA GLU 19 -5.569 3.506 -7.556
136 HB2 GLU 19 HB2 GLU 19 -8.198 2.085 -7.298
137 HB3 GLU 19 HB3 GLU 19 -7.182 2.266 -8.705
138 HG2 GLU 19 HG2 GLU 19 -5.569 0.651 -7.774
139 HG3 GLU 19 HG3 GLU 19 -6.530 0.504 -6.303
140 H GLY 20 H GLY 20 -6.558 5.561 -5.671
141 HA2 GLY 20 HA2 GLY 20 -7.600 7.596 -5.805
142 HA3 GLY 20 HA3 GLY 20 -7.857 7.280 -7.517
143 H MET 21 H MET 21 -9.403 4.931 -5.613
144 HA MET 21 HA MET 21 -12.092 5.852 -6.226
145 HB2 MET 21 HB2 MET 21 -12.748 3.753 -5.157
146 HB3 MET 21 HB3 MET 21 -11.459 3.472 -6.321
147 HG2 MET 21 HG2 MET 21 -10.785 3.940 -3.414
148 HG3 MET 21 HG3 MET 21 -11.384 2.394 -3.907
149 HE1 MET 21 HE1 MET 21 -10.019 1.021 -6.183
150 HE2 MET 21 HE2 MET 21 -8.494 0.552 -5.408
151 HE3 MET 21 HE3 MET 21 -9.976 0.502 -4.476
152 H VAL 22 H VAL 22 -13.715 5.392 -4.248
153 HA VAL 22 HA VAL 22 -13.411 7.479 -2.271
154 HB VAL 22 HB VAL 22 -15.367 5.153 -2.479
155 HG11 VAL 22 HG11 VAL 22 -15.460 7.627 -0.696
156 HG12 VAL 22 HG12 VAL 22 -16.820 6.518 -0.976
157 HG13 VAL 22 HG13 VAL 22 -15.373 5.920 -0.175
158 HG21 VAL 22 HG21 VAL 22 -15.542 6.734 -4.379
159 HG22 VAL 22 HG22 VAL 22 -16.940 6.877 -3.313
160 HG23 VAL 22 HG23 VAL 22 -15.651 8.094 -3.243
161 H CYS 23 H CYS 23 -12.943 7.358 -0.136
162 HA CYS 23 HA CYS 23 -11.346 5.008 0.777
163 HB2 CYS 23 HB2 CYS 23 -10.016 6.878 -0.041
164 HB3 CYS 23 HB3 CYS 23 -10.928 8.007 0.941
165 H ARG 24 H ARG 24 -13.176 4.159 1.900
166 HA ARG 24 HA ARG 24 -13.626 5.373 4.588
167 HB2 ARG 24 HB2 ARG 24 -15.821 4.777 2.576
168 HB3 ARG 24 HB3 ARG 24 -16.093 4.559 4.296
169 HG2 ARG 24 HG2 ARG 24 -16.880 6.667 4.091
170 HG3 ARG 24 HG3 ARG 24 -15.210 7.002 4.559
171 HD2 ARG 24 HD2 ARG 24 -14.683 7.241 2.038
172 HD3 ARG 24 HD3 ARG 24 -16.409 7.006 1.748
173 HE ARG 24 HE ARG 24 -16.788 9.162 2.403
174 HH11 ARG 24 HH11 ARG 24 -13.572 8.309 3.557
175 HH12 ARG 24 HH12 ARG 24 -13.327 9.821 4.345
176 HH21 ARG 24 HH21 ARG 24 -16.385 11.115 3.291
177 HH22 ARG 24 HH22 ARG 24 -14.956 11.417 4.248
178 H LEU 25 H LEU 25 -12.847 3.939 5.859
179 HA LEU 25 HA LEU 25 -12.154 2.096 6.875
180 HB2 LEU 25 HB2 LEU 25 -14.590 0.731 5.667
181 HB3 LEU 25 HB3 LEU 25 -13.490 0.027 6.836
182 HG LEU 25 HG LEU 25 -14.045 2.004 8.394
183 HD11 LEU 25 HD11 LEU 25 -15.238 3.523 6.890
184 HD12 LEU 25 HD12 LEU 25 -16.324 2.953 8.128
185 HD13 LEU 25 HD13 LEU 25 -16.411 2.253 6.477
186 HD21 LEU 25 HD21 LEU 25 -14.814 -0.311 8.717
187 HD22 LEU 25 HD22 LEU 25 -16.220 0.004 7.676
188 HD23 LEU 25 HD23 LEU 25 -16.028 0.852 9.238
189 H TRP 26 H TRP 26 -12.783 1.555 3.461
190 HA TRP 26 HA TRP 26 -10.000 0.728 3.089
191 HB2 TRP 26 HB2 TRP 26 -11.082 -1.117 1.454
192 HB3 TRP 26 HB3 TRP 26 -10.575 -1.401 3.092
193 HD1 TRP 26 HD1 TRP 26 -12.202 -2.578 4.600
194 HE1 TRP 26 HE1 TRP 26 -14.704 -2.976 4.721
195 HE3 TRP 26 HE3 TRP 26 -13.715 0.566 0.844
196 HZ2 TRP 26 HZ2 TRP 26 -17.080 -2.068 3.403
197 HZ3 TRP 26 HZ3 TRP 26 -16.125 0.937 0.475
198 HH2 TRP 26 HH2 TRP 26 -17.821 -0.400 1.700
199 H CYS 27 H CYS 27 -9.771 0.317 0.564
200 HA CYS 27 HA CYS 27 -11.277 2.354 -0.995
201 HB2 CYS 27 HB2 CYS 27 -8.338 2.157 -0.530
202 HB3 CYS 27 HB3 CYS 27 -8.811 2.259 -2.205
203 H LYS 28 H LYS 28 -12.549 1.099 -2.246
204 HA LYS 28 HA LYS 28 -11.366 -1.239 -3.701
205 HB2 LYS 28 HB2 LYS 28 -14.092 -0.947 -2.435
206 HB3 LYS 28 HB3 LYS 28 -13.873 -1.943 -3.861
207 HG2 LYS 28 HG2 LYS 28 -13.799 -3.334 -1.945
208 HG3 LYS 28 HG3 LYS 28 -12.220 -3.354 -2.719
209 HD2 LYS 28 HD2 LYS 28 -11.221 -2.146 -0.942
210 HD3 LYS 28 HD3 LYS 28 -12.771 -1.505 -0.388
211 HE2 LYS 28 HE2 LYS 28 -11.929 -3.185 1.178
212 HE3 LYS 28 HE3 LYS 28 -13.453 -3.687 0.451
213 HZ1 LYS 28 HZ1 LYS 28 -12.278 -5.170 -0.982
214 HZ2 LYS 28 HZ2 LYS 28 -11.788 -5.486 0.511
215 HZ3 LYS 28 HZ3 LYS 28 -10.793 -4.642 -0.514
216 H LYS 29 H LYS 29 -11.838 -1.407 -5.917
217 HA LYS 29 HA LYS 29 -12.062 1.112 -7.314
218 HB2 LYS 29 HB2 LYS 29 -10.784 -0.732 -8.261
219 HB3 LYS 29 HB3 LYS 29 -12.214 -1.766 -8.275
220 HG2 LYS 29 HG2 LYS 29 -13.270 -0.094 -9.887
221 HG3 LYS 29 HG3 LYS 29 -11.681 0.643 -10.042
222 HD2 LYS 29 HD2 LYS 29 -11.997 -2.344 -10.527
223 HD3 LYS 29 HD3 LYS 29 -12.634 -1.209 -11.696
224 HE2 LYS 29 HE2 LYS 29 -10.585 -1.704 -12.572
225 HE3 LYS 29 HE3 LYS 29 -10.328 -0.127 -11.820
226 HZ1 LYS 29 HZ1 LYS 29 -9.624 -2.691 -10.508
227 HZ2 LYS 29 HZ2 LYS 29 -9.124 -1.186 -10.051
228 HZ3 LYS 29 HZ3 LYS 29 -8.572 -1.882 -11.448
229 H LYS 30 H LYS 30 -13.817 2.277 -7.615
230 HA LYS 30 HA LYS 30 -16.487 1.080 -7.901
231 HB2 LYS 30 HB2 LYS 30 -15.891 1.193 -5.418
232 HB3 LYS 30 HB3 LYS 30 -15.967 2.944 -5.549
233 HG2 LYS 30 HG2 LYS 30 -18.235 1.002 -6.231
234 HG3 LYS 30 HG3 LYS 30 -18.036 1.807 -4.673
235 HD2 LYS 30 HD2 LYS 30 -18.262 4.019 -5.778
236 HD3 LYS 30 HD3 LYS 30 -18.549 3.200 -7.331
237 HE2 LYS 30 HE2 LYS 30 -20.556 2.163 -6.543
238 HE3 LYS 30 HE3 LYS 30 -20.281 2.740 -4.883
239 HZ1 LYS 30 HZ1 LYS 30 -20.588 4.549 -7.202
240 HZ2 LYS 30 HZ2 LYS 30 -20.558 4.978 -5.623
241 HZ3 LYS 30 HZ3 LYS 30 -21.849 4.153 -6.214
242 H LEU 31 H LEU 31 -16.919 2.013 -9.736
243 HA LEU 31 HA LEU 31 -16.933 4.859 -10.315
244 HB2 LEU 31 HB2 LEU 31 -14.618 4.755 -10.441
245 HB3 LEU 31 HB3 LEU 31 -14.570 3.105 -11.025
246 HG LEU 31 HG LEU 31 -15.763 5.092 -12.914
247 HD11 LEU 31 HD11 LEU 31 -12.808 5.080 -12.232
248 HD12 LEU 31 HD12 LEU 31 -13.947 6.431 -12.075
249 HD13 LEU 31 HD13 LEU 31 -13.522 5.820 -13.676
250 HD21 LEU 31 HD21 LEU 31 -13.724 2.868 -13.246
251 HD22 LEU 31 HD22 LEU 31 -14.464 3.807 -14.554
252 HD23 LEU 31 HD23 LEU 31 -15.461 2.727 -13.573
253 H LEU 32 H LEU 32 -18.095 5.240 -12.228
254 HA LEU 32 HA LEU 32 -19.336 2.769 -13.434
255 HB2 LEU 32 HB2 LEU 32 -21.277 4.100 -13.871
256 HB3 LEU 32 HB3 LEU 32 -20.801 4.327 -12.195
257 HG LEU 32 HG LEU 32 -19.448 6.454 -13.312
258 HD11 LEU 32 HD11 LEU 32 -20.331 6.025 -15.633
259 HD12 LEU 32 HD12 LEU 32 -20.904 7.556 -14.968
260 HD13 LEU 32 HD13 LEU 32 -21.983 6.150 -15.000
261 HD21 LEU 32 HD21 LEU 32 -21.037 6.520 -11.424
262 HD22 LEU 32 HD22 LEU 32 -22.400 6.443 -12.556
263 HD23 LEU 32 HD23 LEU 32 -21.312 7.851 -12.557
Start of MODEL 15
1 H1 GLY 1 H1 GLY 1 3.096 -5.768 -2.760
2 H2 GLY 1 H2 GLY 1 3.387 -6.764 -4.042
3 H3 GLY 1 H3 GLY 1 1.925 -6.796 -3.274
4 HA2 GLY 1 HA2 GLY 1 3.341 -8.708 -2.713
5 HA3 GLY 1 HA3 GLY 1 4.467 -7.542 -1.978
6 HA PRO 2 HA PRO 2 1.140 -6.835 1.228
7 HB2 PRO 2 HB2 PRO 2 1.828 -4.258 1.803
8 HB3 PRO 2 HB3 PRO 2 2.698 -5.642 2.537
9 HG2 PRO 2 HG2 PRO 2 3.495 -4.054 0.076
10 HG3 PRO 2 HG3 PRO 2 4.497 -4.432 1.514
11 HD2 PRO 2 HD2 PRO 2 4.646 -5.941 -0.723
12 HD3 PRO 2 HD3 PRO 2 4.705 -6.707 0.885
13 H TYR 3 H TYR 3 -0.641 -5.219 0.984
14 HA TYR 3 HA TYR 3 -0.816 -3.803 -1.573
15 HB2 TYR 3 HB2 TYR 3 -2.652 -6.132 -0.958
16 HB3 TYR 3 HB3 TYR 3 -3.021 -4.902 -2.134
17 HD1 TYR 3 HD1 TYR 3 -1.255 -7.987 -1.592
18 HD2 TYR 3 HD2 TYR 3 -1.452 -4.486 -4.116
19 HE1 TYR 3 HE1 TYR 3 -0.116 -9.229 -3.418
20 HE2 TYR 3 HE2 TYR 3 -0.332 -5.743 -5.938
21 HH TYR 3 HH TYR 3 0.144 -7.933 -6.678
22 H CYS 4 H CYS 4 -3.179 -2.798 -1.778
23 HA CYS 4 HA CYS 4 -4.136 -2.078 0.927
24 HB2 CYS 4 HB2 CYS 4 -4.480 0.313 -0.146
25 HB3 CYS 4 HB3 CYS 4 -3.085 -0.176 0.761
26 H GLN 5 H GLN 5 -5.221 -1.352 -2.454
27 HA GLN 5 HA GLN 5 -7.953 -1.229 -1.704
28 HB2 GLN 5 HB2 GLN 5 -7.571 -0.168 -3.623
29 HB3 GLN 5 HB3 GLN 5 -6.370 -1.306 -4.217
30 HG2 GLN 5 HG2 GLN 5 -9.319 -1.982 -4.206
31 HG3 GLN 5 HG3 GLN 5 -8.605 -1.020 -5.489
32 HE21 GLN 5 HE21 GLN 5 -6.239 -2.203 -6.281
33 HE22 GLN 5 HE22 GLN 5 -6.551 -3.910 -6.587
34 H LYS 6 H LYS 6 -6.092 -4.060 -2.739
35 HA LYS 6 HA LYS 6 -8.345 -5.853 -2.719
36 HB2 LYS 6 HB2 LYS 6 -6.341 -6.284 -3.996
37 HB3 LYS 6 HB3 LYS 6 -5.345 -6.343 -2.533
38 HG2 LYS 6 HG2 LYS 6 -6.352 -8.384 -1.804
39 HG3 LYS 6 HG3 LYS 6 -7.676 -8.243 -2.967
40 HD2 LYS 6 HD2 LYS 6 -6.170 -8.663 -4.835
41 HD3 LYS 6 HD3 LYS 6 -4.763 -8.668 -3.764
42 HE2 LYS 6 HE2 LYS 6 -5.608 -10.607 -2.547
43 HE3 LYS 6 HE3 LYS 6 -7.142 -10.542 -3.418
44 HZ1 LYS 6 HZ1 LYS 6 -5.537 -12.229 -4.186
45 HZ2 LYS 6 HZ2 LYS 6 -4.572 -11.067 -4.809
46 HZ3 LYS 6 HZ3 LYS 6 -6.120 -11.282 -5.385
47 H TRP 7 H TRP 7 -6.687 -4.409 -0.010
48 HA TRP 7 HA TRP 7 -7.376 -6.697 1.763
49 HB2 TRP 7 HB2 TRP 7 -5.065 -6.647 0.377
50 HB3 TRP 7 HB3 TRP 7 -4.543 -5.612 1.668
51 HD1 TRP 7 HD1 TRP 7 -6.660 -8.180 3.268
52 HE1 TRP 7 HE1 TRP 7 -5.299 -10.167 4.109
53 HE3 TRP 7 HE3 TRP 7 -2.226 -7.242 0.863
54 HZ2 TRP 7 HZ2 TRP 7 -2.708 -11.314 3.676
55 HZ3 TRP 7 HZ3 TRP 7 -0.344 -8.861 1.033
56 HH2 TRP 7 HH2 TRP 7 -0.565 -10.895 2.431
57 H MET 8 H MET 8 -8.867 -4.719 2.289
58 HA MET 8 HA MET 8 -9.581 -3.293 3.897
59 HB2 MET 8 HB2 MET 8 -7.977 -5.294 5.478
60 HB3 MET 8 HB3 MET 8 -9.181 -4.190 6.167
61 HG2 MET 8 HG2 MET 8 -10.829 -5.039 4.449
62 HG3 MET 8 HG3 MET 8 -9.683 -6.327 4.080
63 HE1 MET 8 HE1 MET 8 -12.922 -6.049 5.411
64 HE2 MET 8 HE2 MET 8 -12.220 -7.385 4.480
65 HE3 MET 8 HE3 MET 8 -12.885 -7.689 6.100
66 H GLN 9 H GLN 9 -7.424 -1.938 2.732
67 HA GLN 9 HA GLN 9 -5.508 -0.949 4.429
68 HB2 GLN 9 HB2 GLN 9 -4.995 0.589 2.639
69 HB3 GLN 9 HB3 GLN 9 -5.510 -0.949 2.005
70 HG2 GLN 9 HG2 GLN 9 -7.252 -0.034 0.866
71 HG3 GLN 9 HG3 GLN 9 -7.841 0.797 2.296
72 HE21 GLN 9 HE21 GLN 9 -6.308 2.765 2.961
73 HE22 GLN 9 HE22 GLN 9 -5.897 3.817 1.612
74 H THR 10 H THR 10 -8.302 -0.178 5.634
75 HA THR 10 HA THR 10 -9.077 1.585 6.971
76 HB THR 10 HB THR 10 -6.102 1.632 7.535
77 HG1 THR 10 HG1 THR 10 -6.365 -0.289 8.459
78 HG21 THR 10 HG21 THR 10 -8.389 1.523 9.523
79 HG22 THR 10 HG22 THR 10 -7.789 3.065 8.932
80 HG23 THR 10 HG23 THR 10 -6.698 1.977 9.805
81 H CYS 11 H CYS 11 -9.552 2.968 4.948
82 HA CYS 11 HA CYS 11 -7.571 5.018 4.353
83 HB2 CYS 11 HB2 CYS 11 -8.881 3.677 2.669
84 HB3 CYS 11 HB3 CYS 11 -10.273 4.692 3.052
85 H ASP 12 H ASP 12 -7.876 5.772 6.704
86 HA ASP 12 HA ASP 12 -9.973 7.701 7.229
87 HB2 ASP 12 HB2 ASP 12 -7.206 7.291 8.400
88 HB3 ASP 12 HB3 ASP 12 -8.343 8.534 8.935
89 H SER 13 H SER 13 -9.464 10.094 7.549
90 HA SER 13 HA SER 13 -8.947 11.313 5.089
91 HB2 SER 13 HB2 SER 13 -8.539 13.429 6.596
92 HB3 SER 13 HB3 SER 13 -10.119 12.659 6.497
93 HG SER 13 HG SER 13 -8.165 12.369 8.581
94 H GLU 14 H GLU 14 -6.473 10.469 7.440
95 HA GLU 14 HA GLU 14 -4.462 12.006 5.895
96 HB2 GLU 14 HB2 GLU 14 -2.943 11.647 7.740
97 HB3 GLU 14 HB3 GLU 14 -4.464 12.326 8.287
98 HG2 GLU 14 HG2 GLU 14 -5.101 9.776 8.745
99 HG3 GLU 14 HG3 GLU 14 -3.355 9.542 8.700
100 H ARG 15 H ARG 15 -5.740 9.054 5.377
101 HA ARG 15 HA ARG 15 -3.154 7.701 4.734
102 HB2 ARG 15 HB2 ARG 15 -5.682 6.753 5.700
103 HB3 ARG 15 HB3 ARG 15 -5.460 6.077 4.100
104 HG2 ARG 15 HG2 ARG 15 -3.211 5.985 6.170
105 HG3 ARG 15 HG3 ARG 15 -4.543 4.827 6.212
106 HD2 ARG 15 HD2 ARG 15 -4.067 4.053 3.935
107 HD3 ARG 15 HD3 ARG 15 -2.802 5.314 3.742
108 HE ARG 15 HE ARG 15 -1.319 4.021 4.955
109 HH11 ARG 15 HH11 ARG 15 -4.545 2.589 5.480
110 HH12 ARG 15 HH12 ARG 15 -3.906 1.683 6.845
111 HH21 ARG 15 HH21 ARG 15 -0.680 2.493 6.578
112 HH22 ARG 15 HH22 ARG 15 -1.968 1.581 7.342
113 H LYS 16 H LYS 16 -2.747 6.899 2.662
114 HA LYS 16 HA LYS 16 -3.901 8.197 0.318
115 HB2 LYS 16 HB2 LYS 16 -2.391 5.555 0.377
116 HB3 LYS 16 HB3 LYS 16 -2.636 6.642 -0.986
117 HG2 LYS 16 HG2 LYS 16 -1.280 8.373 0.450
118 HG3 LYS 16 HG3 LYS 16 -0.798 6.950 1.379
119 HD2 LYS 16 HD2 LYS 16 -0.117 5.895 -0.891
120 HD3 LYS 16 HD3 LYS 16 -0.373 7.499 -1.592
121 HE2 LYS 16 HE2 LYS 16 1.958 7.306 -1.153
122 HE3 LYS 16 HE3 LYS 16 1.309 8.425 0.045
123 HZ1 LYS 16 HZ1 LYS 16 2.843 6.673 0.943
124 HZ2 LYS 16 HZ2 LYS 16 1.763 5.532 0.549
125 HZ3 LYS 16 HZ3 LYS 16 1.372 6.658 1.688
126 H CYS 17 H CYS 17 -4.992 7.021 -1.355
127 HA CYS 17 HA CYS 17 -6.478 4.564 -0.533
128 HB2 CYS 17 HB2 CYS 17 -7.990 6.507 -0.775
129 HB3 CYS 17 HB3 CYS 17 -7.419 6.744 -2.419
130 H CYS 18 H CYS 18 -5.759 2.858 -1.615
131 HA CYS 18 HA CYS 18 -3.523 2.741 -3.040
132 HB2 CYS 18 HB2 CYS 18 -5.343 0.951 -2.153
133 HB3 CYS 18 HB3 CYS 18 -5.618 0.796 -3.879
134 H GLU 19 H GLU 19 -6.692 2.882 -4.655
135 HA GLU 19 HA GLU 19 -5.403 3.451 -7.303
136 HB2 GLU 19 HB2 GLU 19 -8.198 2.381 -7.011
137 HB3 GLU 19 HB3 GLU 19 -7.111 2.269 -8.394
138 HG2 GLU 19 HG2 GLU 19 -7.023 0.683 -5.803
139 HG3 GLU 19 HG3 GLU 19 -7.596 0.113 -7.360
140 H GLY 20 H GLY 20 -6.496 5.190 -4.934
141 HA2 GLY 20 HA2 GLY 20 -7.523 7.203 -4.671
142 HA3 GLY 20 HA3 GLY 20 -7.850 7.241 -6.405
143 H MET 21 H MET 21 -9.427 4.481 -5.549
144 HA MET 21 HA MET 21 -11.957 6.011 -5.219
145 HB2 MET 21 HB2 MET 21 -13.024 4.378 -6.618
146 HB3 MET 21 HB3 MET 21 -11.626 5.113 -7.394
147 HG2 MET 21 HG2 MET 21 -10.315 3.006 -6.580
148 HG3 MET 21 HG3 MET 21 -11.902 2.314 -6.271
149 HE1 MET 21 HE1 MET 21 -9.174 3.242 -8.821
150 HE2 MET 21 HE2 MET 21 -9.987 3.305 -10.369
151 HE3 MET 21 HE3 MET 21 -10.286 4.581 -9.173
152 H VAL 22 H VAL 22 -13.470 5.632 -3.870
153 HA VAL 22 HA VAL 22 -14.718 4.877 -2.247
154 HB VAL 22 HB VAL 22 -14.018 2.000 -2.543
155 HG11 VAL 22 HG11 VAL 22 -16.617 3.528 -2.061
156 HG12 VAL 22 HG12 VAL 22 -16.466 1.759 -2.162
157 HG13 VAL 22 HG13 VAL 22 -15.699 2.630 -0.837
158 HG21 VAL 22 HG21 VAL 22 -15.698 3.617 -4.487
159 HG22 VAL 22 HG22 VAL 22 -14.228 2.678 -4.857
160 HG23 VAL 22 HG23 VAL 22 -15.709 1.851 -4.373
161 H CYS 23 H CYS 23 -12.470 5.968 -1.405
162 HA CYS 23 HA CYS 23 -11.155 4.669 0.758
163 HB2 CYS 23 HB2 CYS 23 -10.404 6.663 -0.492
164 HB3 CYS 23 HB3 CYS 23 -11.742 7.588 0.172
165 H ARG 24 H ARG 24 -12.892 3.547 1.836
166 HA ARG 24 HA ARG 24 -13.978 4.993 4.176
167 HB2 ARG 24 HB2 ARG 24 -15.855 3.434 2.335
168 HB3 ARG 24 HB3 ARG 24 -16.210 4.061 3.931
169 HG2 ARG 24 HG2 ARG 24 -17.285 5.597 2.701
170 HG3 ARG 24 HG3 ARG 24 -15.727 6.421 2.882
171 HD2 ARG 24 HD2 ARG 24 -15.060 5.520 0.607
172 HD3 ARG 24 HD3 ARG 24 -16.564 4.595 0.549
173 HE ARG 24 HE ARG 24 -17.783 6.511 0.150
174 HH11 ARG 24 HH11 ARG 24 -14.610 7.569 1.313
175 HH12 ARG 24 HH12 ARG 24 -14.873 9.196 0.736
176 HH21 ARG 24 HH21 ARG 24 -17.952 8.553 -0.676
177 HH22 ARG 24 HH22 ARG 24 -16.869 9.788 -0.091
178 H LEU 25 H LEU 25 -12.941 3.733 5.625
179 HA LEU 25 HA LEU 25 -12.134 2.060 6.853
180 HB2 LEU 25 HB2 LEU 25 -14.326 0.286 5.756
181 HB3 LEU 25 HB3 LEU 25 -13.391 0.035 7.224
182 HG LEU 25 HG LEU 25 -15.388 2.298 6.737
183 HD11 LEU 25 HD11 LEU 25 -16.439 0.106 7.039
184 HD12 LEU 25 HD12 LEU 25 -16.705 1.115 8.473
185 HD13 LEU 25 HD13 LEU 25 -15.490 -0.164 8.518
186 HD21 LEU 25 HD21 LEU 25 -15.093 2.760 9.173
187 HD22 LEU 25 HD22 LEU 25 -13.632 3.103 8.246
188 HD23 LEU 25 HD23 LEU 25 -13.742 1.609 9.208
189 H TRP 26 H TRP 26 -12.448 1.377 3.511
190 HA TRP 26 HA TRP 26 -9.749 0.227 3.387
191 HB2 TRP 26 HB2 TRP 26 -11.453 -1.183 1.505
192 HB3 TRP 26 HB3 TRP 26 -10.377 -1.814 2.700
193 HD1 TRP 26 HD1 TRP 26 -11.611 -2.583 5.053
194 HE1 TRP 26 HE1 TRP 26 -14.057 -3.071 5.639
195 HE3 TRP 26 HE3 TRP 26 -13.867 -0.275 1.083
196 HZ2 TRP 26 HZ2 TRP 26 -16.663 -2.408 4.611
197 HZ3 TRP 26 HZ3 TRP 26 -16.338 -0.145 0.960
198 HH2 TRP 26 HH2 TRP 26 -17.747 -1.207 2.707
199 H CYS 27 H CYS 27 -9.804 -0.225 0.640
200 HA CYS 27 HA CYS 27 -11.312 1.882 -0.691
201 HB2 CYS 27 HB2 CYS 27 -8.390 1.387 -1.300
202 HB3 CYS 27 HB3 CYS 27 -9.534 2.076 -2.464
203 H LYS 28 H LYS 28 -11.782 1.209 -2.992
204 HA LYS 28 HA LYS 28 -12.006 -1.750 -3.129
205 HB2 LYS 28 HB2 LYS 28 -13.865 -0.536 -1.688
206 HB3 LYS 28 HB3 LYS 28 -14.558 -0.132 -3.233
207 HG2 LYS 28 HG2 LYS 28 -15.656 -2.068 -2.575
208 HG3 LYS 28 HG3 LYS 28 -14.507 -2.669 -3.768
209 HD2 LYS 28 HD2 LYS 28 -13.878 -2.662 -0.774
210 HD3 LYS 28 HD3 LYS 28 -14.851 -3.930 -1.495
211 HE2 LYS 28 HE2 LYS 28 -13.098 -5.031 -2.264
212 HE3 LYS 28 HE3 LYS 28 -12.496 -3.628 -3.129
213 HZ1 LYS 28 HZ1 LYS 28 -11.958 -4.328 -0.302
214 HZ2 LYS 28 HZ2 LYS 28 -11.449 -2.903 -1.007
215 HZ3 LYS 28 HZ3 LYS 28 -10.869 -4.311 -1.536
216 H LYS 29 H LYS 29 -14.322 -0.097 -5.064
217 HA LYS 29 HA LYS 29 -12.582 0.317 -7.337
218 HB2 LYS 29 HB2 LYS 29 -13.351 -2.339 -6.999
219 HB3 LYS 29 HB3 LYS 29 -14.617 -1.737 -8.062
220 HG2 LYS 29 HG2 LYS 29 -12.863 -0.897 -9.639
221 HG3 LYS 29 HG3 LYS 29 -11.609 -1.451 -8.524
222 HD2 LYS 29 HD2 LYS 29 -12.556 -3.795 -8.729
223 HD3 LYS 29 HD3 LYS 29 -13.636 -3.186 -9.988
224 HE2 LYS 29 HE2 LYS 29 -11.615 -2.428 -11.286
225 HE3 LYS 29 HE3 LYS 29 -10.578 -3.120 -10.036
226 HZ1 LYS 29 HZ1 LYS 29 -12.530 -4.611 -11.696
227 HZ2 LYS 29 HZ2 LYS 29 -11.599 -5.311 -10.525
228 HZ3 LYS 29 HZ3 LYS 29 -10.898 -4.695 -11.856
229 H LYS 30 H LYS 30 -13.587 1.641 -8.817
230 HA LYS 30 HA LYS 30 -16.462 1.926 -8.987
231 HB2 LYS 30 HB2 LYS 30 -15.287 3.450 -6.945
232 HB3 LYS 30 HB3 LYS 30 -15.425 4.605 -8.251
233 HG2 LYS 30 HG2 LYS 30 -17.710 2.892 -7.142
234 HG3 LYS 30 HG3 LYS 30 -17.339 4.542 -6.668
235 HD2 LYS 30 HD2 LYS 30 -18.995 4.977 -8.145
236 HD3 LYS 30 HD3 LYS 30 -17.612 5.092 -9.226
237 HE2 LYS 30 HE2 LYS 30 -18.099 2.637 -9.873
238 HE3 LYS 30 HE3 LYS 30 -19.577 2.783 -8.916
239 HZ1 LYS 30 HZ1 LYS 30 -20.074 3.283 -11.213
240 HZ2 LYS 30 HZ2 LYS 30 -18.871 4.401 -11.311
241 HZ3 LYS 30 HZ3 LYS 30 -20.169 4.695 -10.372
242 H LEU 31 H LEU 31 -13.258 3.002 -10.010
243 HA LEU 31 HA LEU 31 -14.363 4.061 -12.531
244 HB2 LEU 31 HB2 LEU 31 -12.313 4.990 -11.366
245 HB3 LEU 31 HB3 LEU 31 -11.468 3.522 -11.847
246 HG LEU 31 HG LEU 31 -12.914 4.995 -14.028
247 HD11 LEU 31 HD11 LEU 31 -10.356 6.059 -12.763
248 HD12 LEU 31 HD12 LEU 31 -11.955 6.840 -12.731
249 HD13 LEU 31 HD13 LEU 31 -11.111 6.637 -14.264
250 HD21 LEU 31 HD21 LEU 31 -10.116 3.796 -13.821
251 HD22 LEU 31 HD22 LEU 31 -10.868 4.437 -15.294
252 HD23 LEU 31 HD23 LEU 31 -11.524 2.989 -14.519
253 H LEU 32 H LEU 32 -14.192 2.944 -14.484
254 HA LEU 32 HA LEU 32 -14.292 -0.022 -14.104
255 HB2 LEU 32 HB2 LEU 32 -16.598 0.457 -15.378
256 HB3 LEU 32 HB3 LEU 32 -16.422 0.495 -13.632
257 HG LEU 32 HG LEU 32 -16.242 3.005 -13.675
258 HD11 LEU 32 HD11 LEU 32 -16.948 2.674 -16.629
259 HD12 LEU 32 HD12 LEU 32 -15.458 3.402 -16.007
260 HD13 LEU 32 HD13 LEU 32 -17.009 4.200 -15.730
261 HD21 LEU 32 HD21 LEU 32 -18.335 1.853 -13.229
262 HD22 LEU 32 HD22 LEU 32 -18.703 1.816 -14.965
263 HD23 LEU 32 HD23 LEU 32 -18.605 3.368 -14.109
Start of MODEL 16
1 H1 GLY 1 H1 GLY 1 -0.116 -10.673 2.451
2 H2 GLY 1 H2 GLY 1 -0.189 -9.352 3.438
3 H3 GLY 1 H3 GLY 1 -0.786 -9.281 1.891
4 HA2 GLY 1 HA2 GLY 1 2.023 -9.515 2.704
5 HA3 GLY 1 HA3 GLY 1 1.440 -9.700 1.040
6 HA PRO 2 HA PRO 2 2.388 -5.300 1.393
7 HB2 PRO 2 HB2 PRO 2 3.222 -4.844 -1.138
8 HB3 PRO 2 HB3 PRO 2 4.167 -5.874 -0.016
9 HG2 PRO 2 HG2 PRO 2 2.154 -6.793 -2.086
10 HG3 PRO 2 HG3 PRO 2 3.843 -7.350 -1.887
11 HD2 PRO 2 HD2 PRO 2 1.751 -8.689 -0.783
12 HD3 PRO 2 HD3 PRO 2 3.313 -8.557 0.047
13 H TYR 3 H TYR 3 -0.232 -6.747 -0.293
14 HA TYR 3 HA TYR 3 -1.304 -4.652 -1.726
15 HB2 TYR 3 HB2 TYR 3 -2.600 -6.828 -0.161
16 HB3 TYR 3 HB3 TYR 3 -3.593 -5.585 -0.888
17 HD1 TYR 3 HD1 TYR 3 -1.822 -5.494 -3.609
18 HD2 TYR 3 HD2 TYR 3 -3.902 -8.467 -1.272
19 HE1 TYR 3 HE1 TYR 3 -2.292 -6.791 -5.667
20 HE2 TYR 3 HE2 TYR 3 -4.407 -9.721 -3.326
21 HH TYR 3 HH TYR 3 -4.148 -9.870 -5.573
22 H CYS 4 H CYS 4 -2.615 -2.937 -1.483
23 HA CYS 4 HA CYS 4 -3.303 -2.148 1.322
24 HB2 CYS 4 HB2 CYS 4 -3.318 0.227 0.298
25 HB3 CYS 4 HB3 CYS 4 -1.876 -0.543 0.901
26 H GLN 5 H GLN 5 -4.542 -1.431 -1.992
27 HA GLN 5 HA GLN 5 -7.224 -1.056 -1.005
28 HB2 GLN 5 HB2 GLN 5 -6.850 0.045 -2.928
29 HB3 GLN 5 HB3 GLN 5 -5.894 -1.218 -3.666
30 HG2 GLN 5 HG2 GLN 5 -8.876 -1.579 -3.255
31 HG3 GLN 5 HG3 GLN 5 -8.261 -0.619 -4.579
32 HE21 GLN 5 HE21 GLN 5 -6.112 -2.060 -5.593
33 HE22 GLN 5 HE22 GLN 5 -6.655 -3.637 -6.088
34 H LYS 6 H LYS 6 -5.828 -3.897 -2.750
35 HA LYS 6 HA LYS 6 -8.159 -5.491 -2.113
36 HB2 LYS 6 HB2 LYS 6 -6.876 -5.599 -4.245
37 HB3 LYS 6 HB3 LYS 6 -5.552 -6.373 -3.396
38 HG2 LYS 6 HG2 LYS 6 -6.667 -8.369 -3.187
39 HG3 LYS 6 HG3 LYS 6 -8.255 -7.633 -3.030
40 HD2 LYS 6 HD2 LYS 6 -6.859 -7.571 -5.729
41 HD3 LYS 6 HD3 LYS 6 -7.613 -9.041 -5.134
42 HE2 LYS 6 HE2 LYS 6 -9.362 -8.169 -6.312
43 HE3 LYS 6 HE3 LYS 6 -9.732 -7.628 -4.679
44 HZ1 LYS 6 HZ1 LYS 6 -8.730 -5.428 -5.352
45 HZ2 LYS 6 HZ2 LYS 6 -10.039 -5.855 -6.248
46 HZ3 LYS 6 HZ3 LYS 6 -8.566 -6.053 -6.890
47 H TRP 7 H TRP 7 -6.381 -4.461 0.129
48 HA TRP 7 HA TRP 7 -6.732 -6.898 1.763
49 HB2 TRP 7 HB2 TRP 7 -4.415 -6.882 1.049
50 HB3 TRP 7 HB3 TRP 7 -4.185 -5.274 1.735
51 HD1 TRP 7 HD1 TRP 7 -3.597 -5.185 4.294
52 HE1 TRP 7 HE1 TRP 7 -3.226 -6.905 6.140
53 HE3 TRP 7 HE3 TRP 7 -5.301 -9.323 1.831
54 HZ2 TRP 7 HZ2 TRP 7 -3.899 -9.710 6.598
55 HZ3 TRP 7 HZ3 TRP 7 -5.500 -11.500 3.019
56 HH2 TRP 7 HH2 TRP 7 -4.839 -11.688 5.407
57 H MET 8 H MET 8 -7.955 -4.106 1.246
58 HA MET 8 HA MET 8 -9.134 -2.598 2.373
59 HB2 MET 8 HB2 MET 8 -9.363 -4.897 4.333
60 HB3 MET 8 HB3 MET 8 -10.368 -3.441 4.374
61 HG2 MET 8 HG2 MET 8 -10.984 -3.868 1.964
62 HG3 MET 8 HG3 MET 8 -10.176 -5.431 2.083
63 HE1 MET 8 HE1 MET 8 -10.929 -7.379 3.576
64 HE2 MET 8 HE2 MET 8 -11.040 -6.442 5.078
65 HE3 MET 8 HE3 MET 8 -12.418 -7.428 4.542
66 H GLN 9 H GLN 9 -6.908 -1.658 2.466
67 HA GLN 9 HA GLN 9 -5.490 -0.960 4.706
68 HB2 GLN 9 HB2 GLN 9 -4.729 0.935 3.303
69 HB3 GLN 9 HB3 GLN 9 -4.774 -0.570 2.424
70 HG2 GLN 9 HG2 GLN 9 -6.873 0.016 1.302
71 HG3 GLN 9 HG3 GLN 9 -7.120 1.404 2.345
72 HE21 GLN 9 HE21 GLN 9 -4.136 2.193 2.008
73 HE22 GLN 9 HE22 GLN 9 -4.200 3.018 0.463
74 H THR 10 H THR 10 -8.029 -0.649 5.885
75 HA THR 10 HA THR 10 -9.036 0.791 7.424
76 HB THR 10 HB THR 10 -6.096 1.449 7.745
77 HG1 THR 10 HG1 THR 10 -6.122 -0.449 9.025
78 HG21 THR 10 HG21 THR 10 -7.911 0.803 10.044
79 HG22 THR 10 HG22 THR 10 -8.034 2.428 9.348
80 HG23 THR 10 HG23 THR 10 -6.485 1.859 9.953
81 H CYS 11 H CYS 11 -9.786 2.182 5.384
82 HA CYS 11 HA CYS 11 -8.004 4.255 4.696
83 HB2 CYS 11 HB2 CYS 11 -9.586 3.100 3.166
84 HB3 CYS 11 HB3 CYS 11 -10.869 4.174 3.745
85 H ASP 12 H ASP 12 -7.801 6.327 5.023
86 HA ASP 12 HA ASP 12 -9.618 7.839 6.801
87 HB2 ASP 12 HB2 ASP 12 -6.595 7.572 7.075
88 HB3 ASP 12 HB3 ASP 12 -7.543 8.836 7.838
89 H SER 13 H SER 13 -9.345 10.187 6.635
90 HA SER 13 HA SER 13 -9.158 11.206 3.996
91 HB2 SER 13 HB2 SER 13 -10.412 12.282 5.745
92 HB3 SER 13 HB3 SER 13 -8.960 12.548 6.710
93 HG SER 13 HG SER 13 -9.368 13.663 4.121
94 H GLU 14 H GLU 14 -6.546 10.511 6.159
95 HA GLU 14 HA GLU 14 -4.538 12.068 4.610
96 HB2 GLU 14 HB2 GLU 14 -3.048 11.496 6.408
97 HB3 GLU 14 HB3 GLU 14 -4.554 12.103 7.086
98 HG2 GLU 14 HG2 GLU 14 -5.261 9.717 7.512
99 HG3 GLU 14 HG3 GLU 14 -3.699 9.166 6.904
100 H ARG 15 H ARG 15 -5.965 9.004 4.309
101 HA ARG 15 HA ARG 15 -3.472 7.467 4.208
102 HB2 ARG 15 HB2 ARG 15 -5.987 6.918 5.052
103 HB3 ARG 15 HB3 ARG 15 -6.102 6.203 3.456
104 HG2 ARG 15 HG2 ARG 15 -3.772 5.623 5.355
105 HG3 ARG 15 HG3 ARG 15 -5.324 4.806 5.558
106 HD2 ARG 15 HD2 ARG 15 -5.201 3.640 3.560
107 HD3 ARG 15 HD3 ARG 15 -4.098 4.832 2.797
108 HE ARG 15 HE ARG 15 -2.262 3.799 3.739
109 HH11 ARG 15 HH11 ARG 15 -5.024 2.555 5.607
110 HH12 ARG 15 HH12 ARG 15 -3.902 1.906 6.798
111 HH21 ARG 15 HH21 ARG 15 -1.086 2.686 5.061
112 HH22 ARG 15 HH22 ARG 15 -1.802 1.761 6.373
113 H LYS 16 H LYS 16 -2.341 6.979 2.414
114 HA LYS 16 HA LYS 16 -3.073 7.773 -0.232
115 HB2 LYS 16 HB2 LYS 16 -1.038 5.703 0.681
116 HB3 LYS 16 HB3 LYS 16 -1.214 6.279 -0.973
117 HG2 LYS 16 HG2 LYS 16 -0.778 8.626 -0.180
118 HG3 LYS 16 HG3 LYS 16 -0.481 7.983 1.438
119 HD2 LYS 16 HD2 LYS 16 1.318 6.505 0.447
120 HD3 LYS 16 HD3 LYS 16 1.135 7.376 -1.083
121 HE2 LYS 16 HE2 LYS 16 1.743 8.714 1.588
122 HE3 LYS 16 HE3 LYS 16 3.011 8.145 0.501
123 HZ1 LYS 16 HZ1 LYS 16 2.455 9.724 -1.085
124 HZ2 LYS 16 HZ2 LYS 16 2.353 10.554 0.337
125 HZ3 LYS 16 HZ3 LYS 16 0.986 10.064 -0.472
126 H CYS 17 H CYS 17 -5.235 7.095 -0.436
127 HA CYS 17 HA CYS 17 -6.163 4.446 -0.445
128 HB2 CYS 17 HB2 CYS 17 -7.603 6.402 -0.405
129 HB3 CYS 17 HB3 CYS 17 -7.059 6.859 -2.011
130 H CYS 18 H CYS 18 -5.997 2.801 -1.786
131 HA CYS 18 HA CYS 18 -3.787 3.032 -3.680
132 HB2 CYS 18 HB2 CYS 18 -3.528 1.933 -1.629
133 HB3 CYS 18 HB3 CYS 18 -4.926 0.910 -1.892
134 H GLU 19 H GLU 19 -7.018 2.770 -4.184
135 HA GLU 19 HA GLU 19 -6.202 2.568 -7.019
136 HB2 GLU 19 HB2 GLU 19 -8.754 1.410 -5.885
137 HB3 GLU 19 HB3 GLU 19 -8.663 1.982 -7.560
138 HG2 GLU 19 HG2 GLU 19 -6.720 0.547 -8.000
139 HG3 GLU 19 HG3 GLU 19 -6.774 -0.077 -6.356
140 H GLY 20 H GLY 20 -7.278 4.492 -4.527
141 HA2 GLY 20 HA2 GLY 20 -7.336 6.776 -4.565
142 HA3 GLY 20 HA3 GLY 20 -7.397 6.766 -6.323
143 H MET 21 H MET 21 -9.892 5.063 -4.402
144 HA MET 21 HA MET 21 -11.761 7.304 -4.622
145 HB2 MET 21 HB2 MET 21 -13.355 6.010 -5.999
146 HB3 MET 21 HB3 MET 21 -11.879 6.465 -6.849
147 HG2 MET 21 HG2 MET 21 -11.054 4.069 -6.375
148 HG3 MET 21 HG3 MET 21 -12.686 3.738 -5.795
149 HE1 MET 21 HE1 MET 21 -10.310 4.229 -8.768
150 HE2 MET 21 HE2 MET 21 -11.371 4.581 -10.148
151 HE3 MET 21 HE3 MET 21 -11.130 5.805 -8.886
152 H VAL 22 H VAL 22 -13.661 7.108 -3.541
153 HA VAL 22 HA VAL 22 -14.984 6.620 -1.835
154 HB VAL 22 HB VAL 22 -15.169 3.789 -2.810
155 HG11 VAL 22 HG11 VAL 22 -17.198 5.839 -1.784
156 HG12 VAL 22 HG12 VAL 22 -17.578 4.200 -2.338
157 HG13 VAL 22 HG13 VAL 22 -16.596 4.422 -0.887
158 HG21 VAL 22 HG21 VAL 22 -16.812 4.702 -4.488
159 HG22 VAL 22 HG22 VAL 22 -16.191 6.323 -4.152
160 HG23 VAL 22 HG23 VAL 22 -15.124 5.076 -4.847
161 H CYS 23 H CYS 23 -13.092 7.043 -0.502
162 HA CYS 23 HA CYS 23 -11.875 4.917 1.034
163 HB2 CYS 23 HB2 CYS 23 -10.818 7.056 0.442
164 HB3 CYS 23 HB3 CYS 23 -12.031 7.925 1.383
165 H ARG 24 H ARG 24 -13.538 3.709 2.056
166 HA ARG 24 HA ARG 24 -14.583 4.900 4.581
167 HB2 ARG 24 HB2 ARG 24 -16.387 3.579 2.516
168 HB3 ARG 24 HB3 ARG 24 -16.757 3.651 4.229
169 HG2 ARG 24 HG2 ARG 24 -17.896 5.498 3.640
170 HG3 ARG 24 HG3 ARG 24 -16.329 6.274 3.945
171 HD2 ARG 24 HD2 ARG 24 -15.826 6.058 1.459
172 HD3 ARG 24 HD3 ARG 24 -17.400 5.285 1.252
173 HE ARG 24 HE ARG 24 -18.505 7.298 1.901
174 HH11 ARG 24 HH11 ARG 24 -15.035 7.880 2.186
175 HH12 ARG 24 HH12 ARG 24 -15.248 9.597 1.992
176 HH21 ARG 24 HH21 ARG 24 -18.666 9.441 1.551
177 HH22 ARG 24 HH22 ARG 24 -17.264 10.451 1.615
178 H LEU 25 H LEU 25 -13.371 3.717 5.894
179 HA LEU 25 HA LEU 25 -12.283 2.028 6.930
180 HB2 LEU 25 HB2 LEU 25 -14.345 0.139 5.774
181 HB3 LEU 25 HB3 LEU 25 -13.293 -0.174 7.141
182 HG LEU 25 HG LEU 25 -15.415 2.033 7.138
183 HD11 LEU 25 HD11 LEU 25 -16.460 -0.183 6.820
184 HD12 LEU 25 HD12 LEU 25 -16.801 0.484 8.431
185 HD13 LEU 25 HD13 LEU 25 -15.570 -0.778 8.239
186 HD21 LEU 25 HD21 LEU 25 -13.611 2.262 8.857
187 HD22 LEU 25 HD22 LEU 25 -13.952 0.611 9.408
188 HD23 LEU 25 HD23 LEU 25 -15.189 1.865 9.575
189 H TRP 26 H TRP 26 -12.875 1.473 3.528
190 HA TRP 26 HA TRP 26 -10.079 0.733 3.079
191 HB2 TRP 26 HB2 TRP 26 -10.989 -1.222 1.601
192 HB3 TRP 26 HB3 TRP 26 -10.779 -1.388 3.323
193 HD1 TRP 26 HD1 TRP 26 -12.764 -2.008 4.796
194 HE1 TRP 26 HE1 TRP 26 -15.248 -2.513 4.443
195 HE3 TRP 26 HE3 TRP 26 -13.252 -0.322 -0.011
196 HZ2 TRP 26 HZ2 TRP 26 -17.211 -2.167 2.378
197 HZ3 TRP 26 HZ3 TRP 26 -15.466 -0.362 -1.126
198 HH2 TRP 26 HH2 TRP 26 -17.454 -1.272 0.054
199 H CYS 27 H CYS 27 -10.169 0.145 0.457
200 HA CYS 27 HA CYS 27 -11.785 2.094 -1.037
201 HB2 CYS 27 HB2 CYS 27 -8.755 1.837 -1.290
202 HB3 CYS 27 HB3 CYS 27 -9.816 2.545 -2.512
203 H LYS 28 H LYS 28 -12.121 1.320 -3.226
204 HA LYS 28 HA LYS 28 -11.069 -1.238 -4.185
205 HB2 LYS 28 HB2 LYS 28 -13.994 -0.900 -3.358
206 HB3 LYS 28 HB3 LYS 28 -13.476 -2.112 -4.505
207 HG2 LYS 28 HG2 LYS 28 -12.740 -2.015 -1.571
208 HG3 LYS 28 HG3 LYS 28 -13.808 -3.144 -2.393
209 HD2 LYS 28 HD2 LYS 28 -11.773 -3.885 -3.771
210 HD3 LYS 28 HD3 LYS 28 -10.784 -2.923 -2.687
211 HE2 LYS 28 HE2 LYS 28 -10.637 -4.996 -1.696
212 HE3 LYS 28 HE3 LYS 28 -11.918 -4.222 -0.752
213 HZ1 LYS 28 HZ1 LYS 28 -13.545 -5.428 -2.179
214 HZ2 LYS 28 HZ2 LYS 28 -12.555 -6.470 -1.409
215 HZ3 LYS 28 HZ3 LYS 28 -12.318 -6.117 -3.009
216 H LYS 29 H LYS 29 -12.068 -1.787 -6.368
217 HA LYS 29 HA LYS 29 -12.186 0.420 -8.182
218 HB2 LYS 29 HB2 LYS 29 -13.187 -2.437 -8.430
219 HB3 LYS 29 HB3 LYS 29 -13.338 -1.249 -9.733
220 HG2 LYS 29 HG2 LYS 29 -10.863 -0.873 -9.596
221 HG3 LYS 29 HG3 LYS 29 -10.763 -2.266 -8.515
222 HD2 LYS 29 HD2 LYS 29 -11.793 -3.712 -10.252
223 HD3 LYS 29 HD3 LYS 29 -11.830 -2.333 -11.356
224 HE2 LYS 29 HE2 LYS 29 -9.362 -3.643 -10.132
225 HE3 LYS 29 HE3 LYS 29 -9.877 -3.725 -11.827
226 HZ1 LYS 29 HZ1 LYS 29 -9.662 -1.208 -11.784
227 HZ2 LYS 29 HZ2 LYS 29 -8.239 -2.024 -11.701
228 HZ3 LYS 29 HZ3 LYS 29 -8.880 -1.402 -10.323
229 H LYS 30 H LYS 30 -13.625 1.909 -8.372
230 HA LYS 30 HA LYS 30 -16.532 1.351 -8.165
231 HB2 LYS 30 HB2 LYS 30 -14.919 2.540 -6.046
232 HB3 LYS 30 HB3 LYS 30 -16.067 3.733 -6.623
233 HG2 LYS 30 HG2 LYS 30 -16.869 0.881 -5.891
234 HG3 LYS 30 HG3 LYS 30 -16.841 2.202 -4.720
235 HD2 LYS 30 HD2 LYS 30 -18.478 3.469 -5.915
236 HD3 LYS 30 HD3 LYS 30 -18.422 2.413 -7.315
237 HE2 LYS 30 HE2 LYS 30 -19.461 1.600 -4.569
238 HE3 LYS 30 HE3 LYS 30 -20.449 2.097 -5.949
239 HZ1 LYS 30 HZ1 LYS 30 -20.410 -0.243 -6.000
240 HZ2 LYS 30 HZ2 LYS 30 -18.803 -0.356 -5.760
241 HZ3 LYS 30 HZ3 LYS 30 -19.388 0.230 -7.187
242 H LEU 31 H LEU 31 -14.366 2.464 -10.138
243 HA LEU 31 HA LEU 31 -15.990 4.735 -11.140
244 HB2 LEU 31 HB2 LEU 31 -13.635 5.132 -10.891
245 HB3 LEU 31 HB3 LEU 31 -13.215 3.731 -11.872
246 HG LEU 31 HG LEU 31 -14.941 5.905 -13.085
247 HD11 LEU 31 HD11 LEU 31 -12.915 7.068 -13.791
248 HD12 LEU 31 HD12 LEU 31 -11.923 6.004 -12.775
249 HD13 LEU 31 HD13 LEU 31 -13.093 7.108 -12.020
250 HD21 LEU 31 HD21 LEU 31 -14.451 3.853 -14.444
251 HD22 LEU 31 HD22 LEU 31 -12.728 4.128 -14.188
252 HD23 LEU 31 HD23 LEU 31 -13.696 5.289 -15.130
253 H LEU 32 H LEU 32 -17.117 4.646 -13.003
254 HA LEU 32 HA LEU 32 -17.467 1.929 -14.269
255 HB2 LEU 32 HB2 LEU 32 -19.277 4.394 -13.945
256 HB3 LEU 32 HB3 LEU 32 -19.739 2.927 -14.818
257 HG LEU 32 HG LEU 32 -18.989 3.012 -11.835
258 HD11 LEU 32 HD11 LEU 32 -21.723 2.820 -13.172
259 HD12 LEU 32 HD12 LEU 32 -21.074 4.241 -12.325
260 HD13 LEU 32 HD13 LEU 32 -21.396 2.754 -11.427
261 HD21 LEU 32 HD21 LEU 32 -20.161 0.774 -13.566
262 HD22 LEU 32 HD22 LEU 32 -20.070 0.746 -11.794
263 HD23 LEU 32 HD23 LEU 32 -18.583 0.765 -12.740
Start of MODEL 17
1 H1 GLY 1 H1 GLY 1 1.860 0.237 -3.463
2 H2 GLY 1 H2 GLY 1 2.901 0.956 -2.403
3 H3 GLY 1 H3 GLY 1 3.331 -0.440 -3.159
4 HA2 GLY 1 HA2 GLY 1 2.775 -0.980 -0.941
5 HA3 GLY 1 HA3 GLY 1 1.246 -0.091 -1.118
6 HA PRO 2 HA PRO 2 1.301 -4.132 -3.811
7 HB2 PRO 2 HB2 PRO 2 2.089 -6.388 -2.425
8 HB3 PRO 2 HB3 PRO 2 3.186 -5.347 -3.384
9 HG2 PRO 2 HG2 PRO 2 2.667 -5.255 -0.394
10 HG3 PRO 2 HG3 PRO 2 4.245 -5.278 -1.241
11 HD2 PRO 2 HD2 PRO 2 3.175 -2.955 -0.394
12 HD3 PRO 2 HD3 PRO 2 3.961 -3.042 -2.002
13 H TYR 3 H TYR 3 0.106 -3.802 -0.533
14 HA TYR 3 HA TYR 3 -2.412 -4.932 -1.480
15 HB2 TYR 3 HB2 TYR 3 -2.719 -6.219 0.710
16 HB3 TYR 3 HB3 TYR 3 -1.860 -6.886 -0.659
17 HD1 TYR 3 HD1 TYR 3 0.489 -7.384 -0.618
18 HD2 TYR 3 HD2 TYR 3 -1.433 -5.448 2.725
19 HE1 TYR 3 HE1 TYR 3 2.491 -7.824 0.791
20 HE2 TYR 3 HE2 TYR 3 0.572 -5.889 4.127
21 HH TYR 3 HH TYR 3 3.546 -7.236 2.812
22 H CYS 4 H CYS 4 -2.888 -2.733 -1.652
23 HA CYS 4 HA CYS 4 -4.465 -2.033 0.768
24 HB2 CYS 4 HB2 CYS 4 -4.108 0.365 0.210
25 HB3 CYS 4 HB3 CYS 4 -2.718 -0.500 0.827
26 H GLN 5 H GLN 5 -4.625 -2.622 -2.649
27 HA GLN 5 HA GLN 5 -7.424 -1.618 -2.733
28 HB2 GLN 5 HB2 GLN 5 -5.799 -1.497 -4.709
29 HB3 GLN 5 HB3 GLN 5 -5.911 -3.254 -4.797
30 HG2 GLN 5 HG2 GLN 5 -8.586 -2.569 -4.766
31 HG3 GLN 5 HG3 GLN 5 -7.911 -1.150 -5.539
32 HE21 GLN 5 HE21 GLN 5 -5.979 -2.042 -7.302
33 HE22 GLN 5 HE22 GLN 5 -6.603 -3.326 -8.307
34 H LYS 6 H LYS 6 -5.631 -4.693 -2.815
35 HA LYS 6 HA LYS 6 -8.045 -6.330 -2.613
36 HB2 LYS 6 HB2 LYS 6 -5.778 -6.680 -3.992
37 HB3 LYS 6 HB3 LYS 6 -5.216 -7.384 -2.479
38 HG2 LYS 6 HG2 LYS 6 -7.558 -8.728 -2.692
39 HG3 LYS 6 HG3 LYS 6 -7.397 -8.254 -4.378
40 HD2 LYS 6 HD2 LYS 6 -6.249 -10.197 -4.557
41 HD3 LYS 6 HD3 LYS 6 -4.888 -9.268 -3.957
42 HE2 LYS 6 HE2 LYS 6 -6.815 -11.023 -2.367
43 HE3 LYS 6 HE3 LYS 6 -5.150 -11.420 -2.767
44 HZ1 LYS 6 HZ1 LYS 6 -5.386 -10.667 -0.499
45 HZ2 LYS 6 HZ2 LYS 6 -6.028 -9.233 -0.955
46 HZ3 LYS 6 HZ3 LYS 6 -4.456 -9.568 -1.329
47 H TRP 7 H TRP 7 -7.335 -4.601 -0.287
48 HA TRP 7 HA TRP 7 -7.605 -6.473 1.891
49 HB2 TRP 7 HB2 TRP 7 -5.022 -6.255 1.202
50 HB3 TRP 7 HB3 TRP 7 -5.131 -4.731 2.056
51 HD1 TRP 7 HD1 TRP 7 -6.571 -8.216 3.014
52 HE1 TRP 7 HE1 TRP 7 -5.552 -9.008 5.209
53 HE3 TRP 7 HE3 TRP 7 -3.387 -4.293 3.862
54 HZ2 TRP 7 HZ2 TRP 7 -3.390 -8.199 6.945
55 HZ3 TRP 7 HZ3 TRP 7 -1.753 -4.399 5.740
56 HH2 TRP 7 HH2 TRP 7 -1.712 -6.357 7.256
57 H MET 8 H MET 8 -8.035 -5.256 3.929
58 HA MET 8 HA MET 8 -9.437 -2.790 3.286
59 HB2 MET 8 HB2 MET 8 -9.370 -4.235 5.949
60 HB3 MET 8 HB3 MET 8 -10.489 -2.958 5.433
61 HG2 MET 8 HG2 MET 8 -11.030 -4.519 3.425
62 HG3 MET 8 HG3 MET 8 -10.197 -5.761 4.359
63 HE1 MET 8 HE1 MET 8 -12.677 -6.731 3.448
64 HE2 MET 8 HE2 MET 8 -11.700 -7.479 4.728
65 HE3 MET 8 HE3 MET 8 -13.455 -7.325 4.935
66 H GLN 9 H GLN 9 -7.649 -1.594 2.775
67 HA GLN 9 HA GLN 9 -5.472 -0.905 4.277
68 HB2 GLN 9 HB2 GLN 9 -5.124 0.758 2.547
69 HB3 GLN 9 HB3 GLN 9 -5.824 -0.692 1.859
70 HG2 GLN 9 HG2 GLN 9 -7.683 0.389 1.125
71 HG3 GLN 9 HG3 GLN 9 -7.967 1.169 2.669
72 HE21 GLN 9 HE21 GLN 9 -6.165 2.974 3.167
73 HE22 GLN 9 HE22 GLN 9 -5.852 4.034 1.776
74 H THR 10 H THR 10 -8.191 -0.055 5.712
75 HA THR 10 HA THR 10 -9.018 1.613 6.997
76 HB THR 10 HB THR 10 -6.167 2.102 7.862
77 HG1 THR 10 HG1 THR 10 -6.087 0.013 7.938
78 HG21 THR 10 HG21 THR 10 -8.821 1.775 9.338
79 HG22 THR 10 HG22 THR 10 -8.054 3.332 8.971
80 HG23 THR 10 HG23 THR 10 -7.244 2.189 10.050
81 H CYS 11 H CYS 11 -9.824 3.115 5.563
82 HA CYS 11 HA CYS 11 -8.295 5.181 4.320
83 HB2 CYS 11 HB2 CYS 11 -11.276 4.823 4.673
84 HB3 CYS 11 HB3 CYS 11 -10.529 5.966 3.572
85 H ASP 12 H ASP 12 -7.617 5.552 6.901
86 HA ASP 12 HA ASP 12 -8.994 7.657 8.250
87 HB2 ASP 12 HB2 ASP 12 -6.113 6.693 8.313
88 HB3 ASP 12 HB3 ASP 12 -6.730 8.000 9.331
89 H SER 13 H SER 13 -8.768 9.842 8.321
90 HA SER 13 HA SER 13 -8.488 11.139 5.884
91 HB2 SER 13 HB2 SER 13 -9.750 11.946 7.864
92 HB3 SER 13 HB3 SER 13 -8.228 12.410 8.630
93 HG SER 13 HG SER 13 -7.948 13.614 6.478
94 H GLU 14 H GLU 14 -5.776 10.161 7.672
95 HA GLU 14 HA GLU 14 -3.943 12.190 6.463
96 HB2 GLU 14 HB2 GLU 14 -3.624 10.000 8.504
97 HB3 GLU 14 HB3 GLU 14 -2.236 10.873 7.865
98 HG2 GLU 14 HG2 GLU 14 -2.981 12.972 8.739
99 HG3 GLU 14 HG3 GLU 14 -4.543 12.303 9.208
100 H ARG 15 H ARG 15 -5.384 9.428 5.350
101 HA ARG 15 HA ARG 15 -2.888 8.309 4.174
102 HB2 ARG 15 HB2 ARG 15 -4.726 7.017 5.757
103 HB3 ARG 15 HB3 ARG 15 -5.398 6.693 4.160
104 HG2 ARG 15 HG2 ARG 15 -2.774 6.075 3.654
105 HG3 ARG 15 HG3 ARG 15 -2.781 5.856 5.407
106 HD2 ARG 15 HD2 ARG 15 -5.051 4.495 4.802
107 HD3 ARG 15 HD3 ARG 15 -4.224 4.390 3.212
108 HE ARG 15 HE ARG 15 -2.476 3.104 4.207
109 HH11 ARG 15 HH11 ARG 15 -4.930 3.906 6.608
110 HH12 ARG 15 HH12 ARG 15 -3.972 3.281 7.918
111 HH21 ARG 15 HH21 ARG 15 -1.629 1.910 5.721
112 HH22 ARG 15 HH22 ARG 15 -2.353 1.821 7.339
113 H LYS 16 H LYS 16 -2.774 7.611 2.156
114 HA LYS 16 HA LYS 16 -4.443 8.594 -0.014
115 HB2 LYS 16 HB2 LYS 16 -2.257 6.489 0.216
116 HB3 LYS 16 HB3 LYS 16 -3.018 6.916 -1.311
117 HG2 LYS 16 HG2 LYS 16 -2.205 9.148 -1.253
118 HG3 LYS 16 HG3 LYS 16 -1.725 9.058 0.432
119 HD2 LYS 16 HD2 LYS 16 0.229 7.975 0.038
120 HD3 LYS 16 HD3 LYS 16 -0.401 7.022 -1.304
121 HE2 LYS 16 HE2 LYS 16 0.130 10.007 -1.502
122 HE3 LYS 16 HE3 LYS 16 1.340 8.775 -1.922
123 HZ1 LYS 16 HZ1 LYS 16 -0.238 7.873 -3.515
124 HZ2 LYS 16 HZ2 LYS 16 0.067 9.428 -3.906
125 HZ3 LYS 16 HZ3 LYS 16 -1.346 9.008 -3.189
126 H CYS 17 H CYS 17 -6.011 7.527 -1.195
127 HA CYS 17 HA CYS 17 -6.811 4.766 -0.451
128 HB2 CYS 17 HB2 CYS 17 -8.629 6.072 -1.295
129 HB3 CYS 17 HB3 CYS 17 -7.671 6.625 -2.667
130 H CYS 18 H CYS 18 -5.950 2.997 -1.415
131 HA CYS 18 HA CYS 18 -3.520 2.852 -2.589
132 HB2 CYS 18 HB2 CYS 18 -5.159 1.063 -1.687
133 HB3 CYS 18 HB3 CYS 18 -5.727 0.923 -3.342
134 H GLU 19 H GLU 19 -6.558 2.928 -4.550
135 HA GLU 19 HA GLU 19 -4.906 3.524 -6.995
136 HB2 GLU 19 HB2 GLU 19 -7.608 2.225 -7.003
137 HB3 GLU 19 HB3 GLU 19 -6.479 2.341 -8.336
138 HG2 GLU 19 HG2 GLU 19 -6.081 0.628 -5.845
139 HG3 GLU 19 HG3 GLU 19 -6.867 0.100 -7.318
140 H GLY 20 H GLY 20 -6.498 5.366 -4.923
141 HA2 GLY 20 HA2 GLY 20 -7.660 7.351 -5.082
142 HA3 GLY 20 HA3 GLY 20 -7.482 7.290 -6.835
143 H MET 21 H MET 21 -9.059 4.572 -5.459
144 HA MET 21 HA MET 21 -11.694 5.109 -6.559
145 HB2 MET 21 HB2 MET 21 -10.855 2.979 -4.558
146 HB3 MET 21 HB3 MET 21 -12.301 2.970 -5.549
147 HG2 MET 21 HG2 MET 21 -9.497 2.940 -6.685
148 HG3 MET 21 HG3 MET 21 -10.356 1.473 -6.253
149 HE1 MET 21 HE1 MET 21 -9.275 1.344 -8.999
150 HE2 MET 21 HE2 MET 21 -10.079 2.251 -10.303
151 HE3 MET 21 HE3 MET 21 -9.104 3.113 -9.099
152 H VAL 22 H VAL 22 -13.619 4.678 -4.903
153 HA VAL 22 HA VAL 22 -13.719 6.713 -2.841
154 HB VAL 22 HB VAL 22 -15.554 4.375 -3.495
155 HG11 VAL 22 HG11 VAL 22 -17.264 5.599 -2.183
156 HG12 VAL 22 HG12 VAL 22 -15.949 5.016 -1.165
157 HG13 VAL 22 HG13 VAL 22 -16.017 6.737 -1.626
158 HG21 VAL 22 HG21 VAL 22 -15.428 6.093 -5.288
159 HG22 VAL 22 HG22 VAL 22 -17.001 6.136 -4.481
160 HG23 VAL 22 HG23 VAL 22 -15.778 7.354 -4.096
161 H CYS 23 H CYS 23 -13.219 6.573 -0.709
162 HA CYS 23 HA CYS 23 -12.173 3.972 0.314
163 HB2 CYS 23 HB2 CYS 23 -10.659 5.950 -0.553
164 HB3 CYS 23 HB3 CYS 23 -11.011 6.661 1.000
165 H ARG 24 H ARG 24 -13.407 3.276 1.957
166 HA ARG 24 HA ARG 24 -13.572 4.914 4.411
167 HB2 ARG 24 HB2 ARG 24 -16.059 3.742 3.127
168 HB3 ARG 24 HB3 ARG 24 -15.907 4.070 4.827
169 HG2 ARG 24 HG2 ARG 24 -16.924 6.006 4.358
170 HG3 ARG 24 HG3 ARG 24 -15.260 6.530 4.088
171 HD2 ARG 24 HD2 ARG 24 -16.715 7.242 2.249
172 HD3 ARG 24 HD3 ARG 24 -15.580 6.042 1.621
173 HE ARG 24 HE ARG 24 -17.610 4.432 2.323
174 HH11 ARG 24 HH11 ARG 24 -17.683 7.398 0.355
175 HH12 ARG 24 HH12 ARG 24 -18.989 6.709 -0.602
176 HH21 ARG 24 HH21 ARG 24 -19.129 3.725 0.919
177 HH22 ARG 24 HH22 ARG 24 -19.709 4.818 -0.354
178 H LEU 25 H LEU 25 -12.518 3.615 5.773
179 HA LEU 25 HA LEU 25 -11.384 1.849 6.618
180 HB2 LEU 25 HB2 LEU 25 -13.937 0.290 6.167
181 HB3 LEU 25 HB3 LEU 25 -12.629 -0.142 7.259
182 HG LEU 25 HG LEU 25 -14.385 2.337 7.517
183 HD11 LEU 25 HD11 LEU 25 -15.616 0.253 7.934
184 HD12 LEU 25 HD12 LEU 25 -15.409 1.210 9.409
185 HD13 LEU 25 HD13 LEU 25 -14.395 -0.221 9.137
186 HD21 LEU 25 HD21 LEU 25 -13.404 2.511 9.791
187 HD22 LEU 25 HD22 LEU 25 -12.179 2.723 8.541
188 HD23 LEU 25 HD23 LEU 25 -12.294 1.176 9.413
189 H TRP 26 H TRP 26 -12.765 1.102 3.485
190 HA TRP 26 HA TRP 26 -10.292 -0.243 2.623
191 HB2 TRP 26 HB2 TRP 26 -11.920 -1.868 1.385
192 HB3 TRP 26 HB3 TRP 26 -11.495 -2.144 3.058
193 HD1 TRP 26 HD1 TRP 26 -13.312 -2.083 4.871
194 HE1 TRP 26 HE1 TRP 26 -15.856 -1.731 4.944
195 HE3 TRP 26 HE3 TRP 26 -14.053 -0.519 0.061
196 HZ2 TRP 26 HZ2 TRP 26 -17.945 -1.018 3.115
197 HZ3 TRP 26 HZ3 TRP 26 -16.350 -0.041 -0.768
198 HH2 TRP 26 HH2 TRP 26 -18.307 -0.327 0.738
199 H CYS 27 H CYS 27 -10.088 -0.318 0.242
200 HA CYS 27 HA CYS 27 -11.675 1.807 -1.104
201 HB2 CYS 27 HB2 CYS 27 -9.256 2.409 -0.216
202 HB3 CYS 27 HB3 CYS 27 -8.758 1.636 -1.723
203 H LYS 28 H LYS 28 -12.808 -0.147 -1.631
204 HA LYS 28 HA LYS 28 -11.820 -2.405 -2.887
205 HB2 LYS 28 HB2 LYS 28 -14.012 -2.152 -1.723
206 HB3 LYS 28 HB3 LYS 28 -14.637 -1.255 -3.100
207 HG2 LYS 28 HG2 LYS 28 -14.053 -3.429 -4.481
208 HG3 LYS 28 HG3 LYS 28 -13.887 -4.170 -2.886
209 HD2 LYS 28 HD2 LYS 28 -16.260 -3.289 -2.387
210 HD3 LYS 28 HD3 LYS 28 -16.353 -2.852 -4.092
211 HE2 LYS 28 HE2 LYS 28 -17.473 -4.944 -3.836
212 HE3 LYS 28 HE3 LYS 28 -15.964 -5.276 -4.693
213 HZ1 LYS 28 HZ1 LYS 28 -16.322 -5.629 -1.762
214 HZ2 LYS 28 HZ2 LYS 28 -15.023 -6.124 -2.685
215 HZ3 LYS 28 HZ3 LYS 28 -16.484 -6.848 -2.837
216 H LYS 29 H LYS 29 -14.083 -0.523 -4.797
217 HA LYS 29 HA LYS 29 -12.411 0.541 -6.762
218 HB2 LYS 29 HB2 LYS 29 -13.150 -2.271 -7.289
219 HB3 LYS 29 HB3 LYS 29 -13.709 -1.196 -8.565
220 HG2 LYS 29 HG2 LYS 29 -11.558 -0.497 -9.166
221 HG3 LYS 29 HG3 LYS 29 -10.858 -0.890 -7.598
222 HD2 LYS 29 HD2 LYS 29 -10.063 -2.500 -9.242
223 HD3 LYS 29 HD3 LYS 29 -11.072 -3.277 -8.024
224 HE2 LYS 29 HE2 LYS 29 -11.840 -4.255 -9.991
225 HE3 LYS 29 HE3 LYS 29 -13.037 -3.001 -9.686
226 HZ1 LYS 29 HZ1 LYS 29 -10.863 -3.020 -11.684
227 HZ2 LYS 29 HZ2 LYS 29 -11.630 -1.599 -11.301
228 HZ3 LYS 29 HZ3 LYS 29 -12.496 -2.854 -11.909
229 H LYS 30 H LYS 30 -13.579 2.095 -7.827
230 HA LYS 30 HA LYS 30 -16.415 1.943 -8.330
231 HB2 LYS 30 HB2 LYS 30 -16.424 2.240 -5.830
232 HB3 LYS 30 HB3 LYS 30 -15.630 3.787 -6.026
233 HG2 LYS 30 HG2 LYS 30 -17.551 4.815 -6.864
234 HG3 LYS 30 HG3 LYS 30 -18.200 3.329 -7.543
235 HD2 LYS 30 HD2 LYS 30 -18.102 4.023 -4.576
236 HD3 LYS 30 HD3 LYS 30 -19.499 4.235 -5.623
237 HE2 LYS 30 HE2 LYS 30 -18.197 1.587 -4.859
238 HE3 LYS 30 HE3 LYS 30 -19.741 2.233 -4.278
239 HZ1 LYS 30 HZ1 LYS 30 -20.492 2.155 -6.661
240 HZ2 LYS 30 HZ2 LYS 30 -20.206 0.679 -6.017
241 HZ3 LYS 30 HZ3 LYS 30 -19.139 1.339 -7.058
242 H LEU 31 H LEU 31 -14.313 2.547 -10.092
243 HA LEU 31 HA LEU 31 -14.644 5.454 -10.599
244 HB2 LEU 31 HB2 LEU 31 -12.731 5.054 -9.029
245 HB3 LEU 31 HB3 LEU 31 -11.972 4.082 -10.299
246 HG LEU 31 HG LEU 31 -11.652 6.016 -11.709
247 HD11 LEU 31 HD11 LEU 31 -13.590 7.432 -11.248
248 HD12 LEU 31 HD12 LEU 31 -12.139 8.299 -10.732
249 HD13 LEU 31 HD13 LEU 31 -13.159 7.526 -9.526
250 HD21 LEU 31 HD21 LEU 31 -10.073 7.204 -10.308
251 HD22 LEU 31 HD22 LEU 31 -10.051 5.492 -9.838
252 HD23 LEU 31 HD23 LEU 31 -10.904 6.677 -8.830
253 H LEU 32 H LEU 32 -14.172 6.199 -12.622
254 HA LEU 32 HA LEU 32 -13.631 4.248 -14.796
255 HB2 LEU 32 HB2 LEU 32 -15.507 5.334 -16.041
256 HB3 LEU 32 HB3 LEU 32 -16.006 4.282 -14.725
257 HG LEU 32 HG LEU 32 -15.796 7.256 -14.112
258 HD11 LEU 32 HD11 LEU 32 -16.971 7.210 -16.260
259 HD12 LEU 32 HD12 LEU 32 -18.106 7.572 -14.956
260 HD13 LEU 32 HD13 LEU 32 -18.065 5.943 -15.665
261 HD21 LEU 32 HD21 LEU 32 -17.808 5.119 -13.291
262 HD22 LEU 32 HD22 LEU 32 -17.753 6.800 -12.716
263 HD23 LEU 32 HD23 LEU 32 -16.468 5.678 -12.283
Start of MODEL 18
1 H1 GLY 1 H1 GLY 1 3.605 -7.079 -7.347
2 H2 GLY 1 H2 GLY 1 4.197 -7.210 -5.810
3 H3 GLY 1 H3 GLY 1 2.722 -7.831 -6.168
4 HA2 GLY 1 HA2 GLY 1 3.452 -4.988 -6.275
5 HA3 GLY 1 HA3 GLY 1 1.842 -5.639 -6.623
6 HA PRO 2 HA PRO 2 2.433 -4.992 -1.880
7 HB2 PRO 2 HB2 PRO 2 1.979 -2.319 -1.520
8 HB3 PRO 2 HB3 PRO 2 3.616 -3.001 -1.757
9 HG2 PRO 2 HG2 PRO 2 1.803 -1.748 -3.850
10 HG3 PRO 2 HG3 PRO 2 3.533 -1.392 -3.530
11 HD2 PRO 2 HD2 PRO 2 2.768 -3.097 -5.494
12 HD3 PRO 2 HD3 PRO 2 4.238 -3.405 -4.520
13 H TYR 3 H TYR 3 0.529 -4.404 -0.536
14 HA TYR 3 HA TYR 3 -1.953 -4.375 -2.127
15 HB2 TYR 3 HB2 TYR 3 -2.924 -5.894 -0.332
16 HB3 TYR 3 HB3 TYR 3 -1.969 -6.503 -1.658
17 HD1 TYR 3 HD1 TYR 3 -1.331 -5.219 1.855
18 HD2 TYR 3 HD2 TYR 3 -0.447 -8.183 -1.160
19 HE1 TYR 3 HE1 TYR 3 0.158 -6.405 3.451
20 HE2 TYR 3 HE2 TYR 3 1.034 -9.372 0.461
21 HH TYR 3 HH TYR 3 1.565 -8.166 3.790
22 H CYS 4 H CYS 4 -3.599 -3.160 -1.796
23 HA CYS 4 HA CYS 4 -4.278 -2.364 0.893
24 HB2 CYS 4 HB2 CYS 4 -4.474 0.156 0.008
25 HB3 CYS 4 HB3 CYS 4 -3.125 -0.475 0.909
26 H GLN 5 H GLN 5 -5.111 -1.440 -2.517
27 HA GLN 5 HA GLN 5 -7.798 -0.936 -1.923
28 HB2 GLN 5 HB2 GLN 5 -7.479 -0.023 -3.881
29 HB3 GLN 5 HB3 GLN 5 -6.099 -1.018 -4.251
30 HG2 GLN 5 HG2 GLN 5 -8.964 -1.908 -4.758
31 HG3 GLN 5 HG3 GLN 5 -7.973 -1.024 -5.915
32 HE21 GLN 5 HE21 GLN 5 -5.457 -2.192 -5.889
33 HE22 GLN 5 HE22 GLN 5 -5.639 -3.905 -6.248
34 H LYS 6 H LYS 6 -6.415 -4.037 -2.964
35 HA LYS 6 HA LYS 6 -8.913 -5.498 -2.768
36 HB2 LYS 6 HB2 LYS 6 -6.764 -6.027 -4.131
37 HB3 LYS 6 HB3 LYS 6 -6.094 -6.631 -2.607
38 HG2 LYS 6 HG2 LYS 6 -8.121 -8.196 -2.482
39 HG3 LYS 6 HG3 LYS 6 -8.566 -7.622 -4.092
40 HD2 LYS 6 HD2 LYS 6 -6.268 -8.414 -4.893
41 HD3 LYS 6 HD3 LYS 6 -6.027 -9.093 -3.279
42 HE2 LYS 6 HE2 LYS 6 -8.361 -10.226 -3.672
43 HE3 LYS 6 HE3 LYS 6 -8.098 -9.851 -5.377
44 HZ1 LYS 6 HZ1 LYS 6 -6.338 -11.502 -3.640
45 HZ2 LYS 6 HZ2 LYS 6 -5.991 -11.176 -5.201
46 HZ3 LYS 6 HZ3 LYS 6 -7.329 -12.046 -4.841
47 H TRP 7 H TRP 7 -6.782 -4.347 -0.367
48 HA TRP 7 HA TRP 7 -7.527 -6.433 1.620
49 HB2 TRP 7 HB2 TRP 7 -5.408 -7.048 0.678
50 HB3 TRP 7 HB3 TRP 7 -4.785 -5.422 0.899
51 HD1 TRP 7 HD1 TRP 7 -3.780 -4.788 3.210
52 HE1 TRP 7 HE1 TRP 7 -3.466 -5.919 5.477
53 HE3 TRP 7 HE3 TRP 7 -6.409 -9.077 2.318
54 HZ2 TRP 7 HZ2 TRP 7 -4.129 -8.454 6.705
55 HZ3 TRP 7 HZ3 TRP 7 -6.626 -10.790 4.107
56 HH2 TRP 7 HH2 TRP 7 -5.505 -10.499 6.276
57 H MET 8 H MET 8 -9.095 -4.618 1.930
58 HA MET 8 HA MET 8 -9.941 -3.216 3.590
59 HB2 MET 8 HB2 MET 8 -8.296 -5.358 4.952
60 HB3 MET 8 HB3 MET 8 -9.621 -4.453 5.706
61 HG2 MET 8 HG2 MET 8 -11.219 -5.283 4.103
62 HG3 MET 8 HG3 MET 8 -9.963 -6.118 3.188
63 HE1 MET 8 HE1 MET 8 -12.798 -7.283 4.517
64 HE2 MET 8 HE2 MET 8 -11.769 -8.071 3.302
65 HE3 MET 8 HE3 MET 8 -12.203 -8.929 4.802
66 H GLN 9 H GLN 9 -7.854 -1.728 2.682
67 HA GLN 9 HA GLN 9 -5.723 -1.430 4.368
68 HB2 GLN 9 HB2 GLN 9 -4.940 0.194 2.743
69 HB3 GLN 9 HB3 GLN 9 -5.728 -1.149 1.978
70 HG2 GLN 9 HG2 GLN 9 -7.371 0.137 1.042
71 HG3 GLN 9 HG3 GLN 9 -7.646 1.039 2.526
72 HE21 GLN 9 HE21 GLN 9 -5.432 2.470 3.063
73 HE22 GLN 9 HE22 GLN 9 -5.014 3.484 1.668
74 H THR 10 H THR 10 -8.181 -0.344 5.888
75 HA THR 10 HA THR 10 -8.707 1.452 7.232
76 HB THR 10 HB THR 10 -5.733 1.947 7.472
77 HG1 THR 10 HG1 THR 10 -7.300 -0.217 8.342
78 HG21 THR 10 HG21 THR 10 -7.569 3.253 8.837
79 HG22 THR 10 HG22 THR 10 -6.180 2.564 9.659
80 HG23 THR 10 HG23 THR 10 -7.751 1.731 9.731
81 H CYS 11 H CYS 11 -9.123 2.279 4.709
82 HA CYS 11 HA CYS 11 -7.636 4.714 4.107
83 HB2 CYS 11 HB2 CYS 11 -8.895 3.081 2.505
84 HB3 CYS 11 HB3 CYS 11 -10.304 4.082 2.885
85 H ASP 12 H ASP 12 -7.999 6.718 4.905
86 HA ASP 12 HA ASP 12 -10.226 7.288 6.780
87 HB2 ASP 12 HB2 ASP 12 -8.623 5.513 7.732
88 HB3 ASP 12 HB3 ASP 12 -7.336 6.716 7.638
89 H SER 13 H SER 13 -9.575 9.390 7.937
90 HA SER 13 HA SER 13 -9.735 11.437 6.305
91 HB2 SER 13 HB2 SER 13 -9.931 11.696 8.658
92 HB3 SER 13 HB3 SER 13 -8.205 11.426 8.916
93 HG SER 13 HG SER 13 -7.812 13.426 8.482
94 H GLU 14 H GLU 14 -6.404 10.652 7.388
95 HA GLU 14 HA GLU 14 -5.266 12.455 5.312
96 HB2 GLU 14 HB2 GLU 14 -4.524 12.698 7.581
97 HB3 GLU 14 HB3 GLU 14 -4.214 10.974 7.744
98 HG2 GLU 14 HG2 GLU 14 -2.281 11.064 6.361
99 HG3 GLU 14 HG3 GLU 14 -2.678 12.675 5.761
100 H ARG 15 H ARG 15 -5.892 9.054 5.645
101 HA ARG 15 HA ARG 15 -3.209 8.296 4.691
102 HB2 ARG 15 HB2 ARG 15 -4.199 7.256 6.690
103 HB3 ARG 15 HB3 ARG 15 -5.463 6.516 5.708
104 HG2 ARG 15 HG2 ARG 15 -2.572 6.084 4.874
105 HG3 ARG 15 HG3 ARG 15 -3.124 5.297 6.355
106 HD2 ARG 15 HD2 ARG 15 -4.988 4.220 5.168
107 HD3 ARG 15 HD3 ARG 15 -4.537 5.058 3.647
108 HE ARG 15 HE ARG 15 -2.664 3.648 3.416
109 HH11 ARG 15 HH11 ARG 15 -3.860 3.278 6.766
110 HH12 ARG 15 HH12 ARG 15 -2.786 1.910 6.961
111 HH21 ARG 15 HH21 ARG 15 -1.312 2.006 3.982
112 HH22 ARG 15 HH22 ARG 15 -1.481 1.271 5.575
113 H LYS 16 H LYS 16 -2.704 7.811 2.766
114 HA LYS 16 HA LYS 16 -4.155 8.302 0.538
115 HB2 LYS 16 HB2 LYS 16 -1.685 8.100 0.737
116 HB3 LYS 16 HB3 LYS 16 -1.827 6.350 0.834
117 HG2 LYS 16 HG2 LYS 16 -1.062 7.032 -1.346
118 HG3 LYS 16 HG3 LYS 16 -2.665 6.319 -1.507
119 HD2 LYS 16 HD2 LYS 16 -3.676 8.562 -1.699
120 HD3 LYS 16 HD3 LYS 16 -2.131 9.323 -1.286
121 HE2 LYS 16 HE2 LYS 16 -2.436 9.541 -3.641
122 HE3 LYS 16 HE3 LYS 16 -1.128 8.386 -3.361
123 HZ1 LYS 16 HZ1 LYS 16 -2.693 6.591 -3.810
124 HZ2 LYS 16 HZ2 LYS 16 -2.699 7.633 -5.056
125 HZ3 LYS 16 HZ3 LYS 16 -3.943 7.664 -3.999
126 H CYS 17 H CYS 17 -5.698 7.403 -0.667
127 HA CYS 17 HA CYS 17 -6.481 4.594 -0.433
128 HB2 CYS 17 HB2 CYS 17 -8.152 6.272 -1.085
129 HB3 CYS 17 HB3 CYS 17 -7.175 6.708 -2.488
130 H CYS 18 H CYS 18 -5.748 2.944 -1.562
131 HA CYS 18 HA CYS 18 -3.289 2.762 -2.638
132 HB2 CYS 18 HB2 CYS 18 -5.232 1.045 -2.019
133 HB3 CYS 18 HB3 CYS 18 -5.452 1.021 -3.757
134 H GLU 19 H GLU 19 -6.224 3.056 -4.749
135 HA GLU 19 HA GLU 19 -4.453 3.989 -6.966
136 HB2 GLU 19 HB2 GLU 19 -6.741 2.549 -7.978
137 HB3 GLU 19 HB3 GLU 19 -5.074 2.420 -8.421
138 HG2 GLU 19 HG2 GLU 19 -6.262 0.981 -5.994
139 HG3 GLU 19 HG3 GLU 19 -6.373 0.358 -7.624
140 H GLY 20 H GLY 20 -6.976 5.010 -5.059
141 HA2 GLY 20 HA2 GLY 20 -7.655 7.307 -5.456
142 HA3 GLY 20 HA3 GLY 20 -7.939 6.935 -7.146
143 H MET 21 H MET 21 -9.267 4.344 -5.738
144 HA MET 21 HA MET 21 -11.967 5.222 -6.145
145 HB2 MET 21 HB2 MET 21 -12.491 2.842 -5.702
146 HB3 MET 21 HB3 MET 21 -11.283 3.120 -6.925
147 HG2 MET 21 HG2 MET 21 -10.400 2.558 -4.090
148 HG3 MET 21 HG3 MET 21 -10.918 1.243 -5.127
149 HE1 MET 21 HE1 MET 21 -8.425 0.934 -7.949
150 HE2 MET 21 HE2 MET 21 -9.772 0.208 -7.058
151 HE3 MET 21 HE3 MET 21 -10.001 1.716 -7.972
152 H VAL 22 H VAL 22 -13.353 3.558 -4.233
153 HA VAL 22 HA VAL 22 -14.091 5.811 -2.647
154 HB VAL 22 HB VAL 22 -15.202 2.989 -2.618
155 HG11 VAL 22 HG11 VAL 22 -17.279 4.120 -1.825
156 HG12 VAL 22 HG12 VAL 22 -15.955 4.259 -0.669
157 HG13 VAL 22 HG13 VAL 22 -16.389 5.650 -1.697
158 HG21 VAL 22 HG21 VAL 22 -15.277 3.961 -4.894
159 HG22 VAL 22 HG22 VAL 22 -16.884 3.903 -4.186
160 HG23 VAL 22 HG23 VAL 22 -16.004 5.444 -4.241
161 H CYS 23 H CYS 23 -13.013 6.454 -0.959
162 HA CYS 23 HA CYS 23 -11.505 4.618 0.734
163 HB2 CYS 23 HB2 CYS 23 -10.557 6.600 -0.379
164 HB3 CYS 23 HB3 CYS 23 -11.645 7.637 0.534
165 H ARG 24 H ARG 24 -13.031 3.632 2.102
166 HA ARG 24 HA ARG 24 -13.992 5.282 4.389
167 HB2 ARG 24 HB2 ARG 24 -15.876 3.680 2.608
168 HB3 ARG 24 HB3 ARG 24 -16.217 4.014 4.293
169 HG2 ARG 24 HG2 ARG 24 -17.355 5.740 3.455
170 HG3 ARG 24 HG3 ARG 24 -15.782 6.543 3.637
171 HD2 ARG 24 HD2 ARG 24 -15.329 6.028 1.186
172 HD3 ARG 24 HD3 ARG 24 -16.889 5.202 1.123
173 HE ARG 24 HE ARG 24 -17.978 7.215 1.044
174 HH11 ARG 24 HH11 ARG 24 -14.671 7.929 2.175
175 HH12 ARG 24 HH12 ARG 24 -15.041 9.637 2.272
176 HH21 ARG 24 HH21 ARG 24 -18.218 9.365 1.021
177 HH22 ARG 24 HH22 ARG 24 -16.909 10.461 1.399
178 H LEU 25 H LEU 25 -12.255 4.200 5.454
179 HA LEU 25 HA LEU 25 -11.286 2.671 6.770
180 HB2 LEU 25 HB2 LEU 25 -13.780 0.960 6.704
181 HB3 LEU 25 HB3 LEU 25 -12.506 0.927 7.888
182 HG LEU 25 HG LEU 25 -14.524 3.179 7.442
183 HD11 LEU 25 HD11 LEU 25 -15.272 2.571 9.719
184 HD12 LEU 25 HD12 LEU 25 -14.096 1.248 9.755
185 HD13 LEU 25 HD13 LEU 25 -15.425 1.212 8.593
186 HD21 LEU 25 HD21 LEU 25 -13.595 4.306 9.372
187 HD22 LEU 25 HD22 LEU 25 -12.326 4.130 8.169
188 HD23 LEU 25 HD23 LEU 25 -12.372 3.048 9.583
189 H TRP 26 H TRP 26 -12.244 1.915 3.697
190 HA TRP 26 HA TRP 26 -9.919 0.225 3.173
191 HB2 TRP 26 HB2 TRP 26 -11.561 -1.315 1.812
192 HB3 TRP 26 HB3 TRP 26 -11.254 -1.561 3.509
193 HD1 TRP 26 HD1 TRP 26 -13.194 -1.889 5.022
194 HE1 TRP 26 HE1 TRP 26 -15.695 -1.414 5.027
195 HE3 TRP 26 HE3 TRP 26 -13.500 0.922 0.729
196 HZ2 TRP 26 HZ2 TRP 26 -17.599 0.023 3.398
197 HZ3 TRP 26 HZ3 TRP 26 -15.634 1.933 0.069
198 HH2 TRP 26 HH2 TRP 26 -17.704 1.493 1.377
199 H CYS 27 H CYS 27 -10.016 -0.237 0.543
200 HA CYS 27 HA CYS 27 -11.338 2.007 -0.801
201 HB2 CYS 27 HB2 CYS 27 -8.747 2.428 -0.077
202 HB3 CYS 27 HB3 CYS 27 -8.546 1.801 -1.717
203 H LYS 28 H LYS 28 -12.685 0.239 -1.374
204 HA LYS 28 HA LYS 28 -11.789 -1.907 -3.135
205 HB2 LYS 28 HB2 LYS 28 -14.480 -0.895 -2.153
206 HB3 LYS 28 HB3 LYS 28 -14.381 -2.083 -3.428
207 HG2 LYS 28 HG2 LYS 28 -14.807 -3.193 -1.407
208 HG3 LYS 28 HG3 LYS 28 -13.218 -3.675 -1.984
209 HD2 LYS 28 HD2 LYS 28 -12.129 -2.712 -0.179
210 HD3 LYS 28 HD3 LYS 28 -13.323 -1.421 -0.018
211 HE2 LYS 28 HE2 LYS 28 -13.447 -2.903 1.914
212 HE3 LYS 28 HE3 LYS 28 -14.952 -2.901 0.994
213 HZ1 LYS 28 HZ1 LYS 28 -14.365 -5.013 0.067
214 HZ2 LYS 28 HZ2 LYS 28 -14.260 -5.108 1.685
215 HZ3 LYS 28 HZ3 LYS 28 -12.878 -5.016 0.770
216 H LYS 29 H LYS 29 -12.186 -2.197 -5.330
217 HA LYS 29 HA LYS 29 -12.234 0.180 -6.992
218 HB2 LYS 29 HB2 LYS 29 -11.053 -2.044 -7.478
219 HB3 LYS 29 HB3 LYS 29 -12.643 -2.665 -7.950
220 HG2 LYS 29 HG2 LYS 29 -12.750 -0.635 -9.569
221 HG3 LYS 29 HG3 LYS 29 -11.028 -0.435 -9.227
222 HD2 LYS 29 HD2 LYS 29 -10.824 -2.955 -9.891
223 HD3 LYS 29 HD3 LYS 29 -12.454 -2.781 -10.529
224 HE2 LYS 29 HE2 LYS 29 -9.944 -1.272 -11.397
225 HE3 LYS 29 HE3 LYS 29 -10.804 -2.531 -12.302
226 HZ1 LYS 29 HZ1 LYS 29 -11.784 0.201 -11.709
227 HZ2 LYS 29 HZ2 LYS 29 -12.759 -0.973 -12.302
228 HZ3 LYS 29 HZ3 LYS 29 -11.480 -0.438 -13.177
229 H LYS 30 H LYS 30 -13.890 1.284 -7.666
230 HA LYS 30 HA LYS 30 -16.527 0.184 -8.282
231 HB2 LYS 30 HB2 LYS 30 -16.489 0.210 -5.771
232 HB3 LYS 30 HB3 LYS 30 -16.238 1.951 -5.810
233 HG2 LYS 30 HG2 LYS 30 -18.403 2.249 -6.951
234 HG3 LYS 30 HG3 LYS 30 -18.610 0.497 -7.059
235 HD2 LYS 30 HD2 LYS 30 -18.683 0.287 -4.624
236 HD3 LYS 30 HD3 LYS 30 -18.361 2.015 -4.430
237 HE2 LYS 30 HE2 LYS 30 -20.836 0.777 -5.703
238 HE3 LYS 30 HE3 LYS 30 -20.737 1.484 -4.078
239 HZ1 LYS 30 HZ1 LYS 30 -20.435 2.876 -6.656
240 HZ2 LYS 30 HZ2 LYS 30 -20.109 3.608 -5.190
241 HZ3 LYS 30 HZ3 LYS 30 -21.624 3.126 -5.570
242 H LEU 31 H LEU 31 -15.873 1.117 -10.237
243 HA LEU 31 HA LEU 31 -16.706 3.882 -10.681
244 HB2 LEU 31 HB2 LEU 31 -14.374 4.175 -10.103
245 HB3 LEU 31 HB3 LEU 31 -13.869 2.898 -11.202
246 HG LEU 31 HG LEU 31 -15.221 5.382 -12.292
247 HD11 LEU 31 HD11 LEU 31 -12.962 6.371 -12.537
248 HD12 LEU 31 HD12 LEU 31 -12.272 5.042 -11.584
249 HD13 LEU 31 HD13 LEU 31 -13.415 6.188 -10.841
250 HD21 LEU 31 HD21 LEU 31 -14.761 3.542 -13.923
251 HD22 LEU 31 HD22 LEU 31 -13.068 3.506 -13.402
252 HD23 LEU 31 HD23 LEU 31 -13.726 4.926 -14.234
253 H LEU 32 H LEU 32 -17.514 4.097 -12.801
254 HA LEU 32 HA LEU 32 -17.286 1.689 -14.609
255 HB2 LEU 32 HB2 LEU 32 -19.735 1.655 -14.863
256 HB3 LEU 32 HB3 LEU 32 -19.231 1.211 -13.241
257 HG LEU 32 HG LEU 32 -19.760 4.154 -13.522
258 HD11 LEU 32 HD11 LEU 32 -22.054 2.179 -13.873
259 HD12 LEU 32 HD12 LEU 32 -21.471 3.329 -15.097
260 HD13 LEU 32 HD13 LEU 32 -22.208 3.929 -13.603
261 HD21 LEU 32 HD21 LEU 32 -20.867 2.006 -11.645
262 HD22 LEU 32 HD22 LEU 32 -21.024 3.761 -11.445
263 HD23 LEU 32 HD23 LEU 32 -19.431 3.001 -11.331
Start of MODEL 19
1 H1 GLY 1 H1 GLY 1 3.870 -4.987 -3.298
2 H2 GLY 1 H2 GLY 1 4.916 -4.669 -4.516
3 H3 GLY 1 H3 GLY 1 4.490 -3.474 -3.455
4 HA2 GLY 1 HA2 GLY 1 3.363 -3.199 -5.578
5 HA3 GLY 1 HA3 GLY 1 2.682 -4.823 -5.364
6 HA PRO 2 HA PRO 2 0.177 -1.370 -3.285
7 HB2 PRO 2 HB2 PRO 2 -1.829 -0.843 -5.040
8 HB3 PRO 2 HB3 PRO 2 -0.179 -0.199 -5.256
9 HG2 PRO 2 HG2 PRO 2 -1.376 -2.676 -6.537
10 HG3 PRO 2 HG3 PRO 2 -0.508 -1.315 -7.317
11 HD2 PRO 2 HD2 PRO 2 0.750 -3.646 -6.630
12 HD3 PRO 2 HD3 PRO 2 1.574 -2.059 -6.558
13 H TYR 3 H TYR 3 0.006 -3.403 -1.967
14 HA TYR 3 HA TYR 3 -2.510 -4.874 -2.311
15 HB2 TYR 3 HB2 TYR 3 -0.183 -5.399 -0.487
16 HB3 TYR 3 HB3 TYR 3 -1.658 -6.366 -0.553
17 HD1 TYR 3 HD1 TYR 3 1.601 -6.049 -1.868
18 HD2 TYR 3 HD2 TYR 3 -2.414 -7.129 -3.029
19 HE1 TYR 3 HE1 TYR 3 2.477 -7.158 -3.918
20 HE2 TYR 3 HE2 TYR 3 -1.524 -8.210 -5.089
21 HH TYR 3 HH TYR 3 0.354 -8.467 -6.431
22 H CYS 4 H CYS 4 -3.628 -2.813 -1.993
23 HA CYS 4 HA CYS 4 -4.292 -2.362 0.883
24 HB2 CYS 4 HB2 CYS 4 -4.047 0.134 0.221
25 HB3 CYS 4 HB3 CYS 4 -2.670 -0.838 0.678
26 H GLN 5 H GLN 5 -5.523 -2.083 -2.456
27 HA GLN 5 HA GLN 5 -8.198 -1.419 -1.356
28 HB2 GLN 5 HB2 GLN 5 -7.704 -0.193 -3.269
29 HB3 GLN 5 HB3 GLN 5 -7.009 -1.558 -4.100
30 HG2 GLN 5 HG2 GLN 5 -9.955 -1.200 -3.535
31 HG3 GLN 5 HG3 GLN 5 -9.157 -0.739 -5.025
32 HE21 GLN 5 HE21 GLN 5 -7.557 -2.965 -5.667
33 HE22 GLN 5 HE22 GLN 5 -8.644 -4.352 -5.833
34 H LYS 6 H LYS 6 -6.551 -4.051 -3.181
35 HA LYS 6 HA LYS 6 -8.643 -5.973 -2.782
36 HB2 LYS 6 HB2 LYS 6 -6.392 -5.971 -4.293
37 HB3 LYS 6 HB3 LYS 6 -5.765 -6.865 -2.901
38 HG2 LYS 6 HG2 LYS 6 -8.162 -8.146 -3.257
39 HG3 LYS 6 HG3 LYS 6 -7.902 -7.579 -4.895
40 HD2 LYS 6 HD2 LYS 6 -6.163 -9.414 -3.213
41 HD3 LYS 6 HD3 LYS 6 -7.125 -9.832 -4.634
42 HE2 LYS 6 HE2 LYS 6 -5.596 -8.428 -6.037
43 HE3 LYS 6 HE3 LYS 6 -4.575 -8.174 -4.607
44 HZ1 LYS 6 HZ1 LYS 6 -5.245 -10.771 -5.875
45 HZ2 LYS 6 HZ2 LYS 6 -4.405 -10.673 -4.471
46 HZ3 LYS 6 HZ3 LYS 6 -3.756 -10.099 -5.853
47 H TRP 7 H TRP 7 -6.591 -4.585 -0.553
48 HA TRP 7 HA TRP 7 -7.080 -6.597 1.555
49 HB2 TRP 7 HB2 TRP 7 -4.480 -5.798 0.397
50 HB3 TRP 7 HB3 TRP 7 -4.521 -5.870 2.139
51 HD1 TRP 7 HD1 TRP 7 -4.922 -8.174 -0.889
52 HE1 TRP 7 HE1 TRP 7 -4.643 -10.613 -0.105
53 HE3 TRP 7 HE3 TRP 7 -5.076 -7.430 4.172
54 HZ2 TRP 7 HZ2 TRP 7 -4.336 -12.017 2.390
55 HZ3 TRP 7 HZ3 TRP 7 -4.795 -9.340 5.733
56 HH2 TRP 7 HH2 TRP 7 -4.383 -11.622 4.859
57 H MET 8 H MET 8 -8.409 -4.099 1.071
58 HA MET 8 HA MET 8 -9.264 -2.414 2.332
59 HB2 MET 8 HB2 MET 8 -9.235 -4.884 4.081
60 HB3 MET 8 HB3 MET 8 -10.245 -3.468 4.413
61 HG2 MET 8 HG2 MET 8 -11.143 -3.666 2.048
62 HG3 MET 8 HG3 MET 8 -10.335 -5.227 1.937
63 HE1 MET 8 HE1 MET 8 -10.993 -7.348 3.237
64 HE2 MET 8 HE2 MET 8 -10.812 -6.565 4.818
65 HE3 MET 8 HE3 MET 8 -12.301 -7.455 4.433
66 H GLN 9 H GLN 9 -7.132 -1.289 2.328
67 HA GLN 9 HA GLN 9 -5.425 -1.073 4.480
68 HB2 GLN 9 HB2 GLN 9 -4.562 0.866 3.281
69 HB3 GLN 9 HB3 GLN 9 -4.997 -0.413 2.168
70 HG2 GLN 9 HG2 GLN 9 -7.121 0.709 1.581
71 HG3 GLN 9 HG3 GLN 9 -6.875 1.920 2.829
72 HE21 GLN 9 HE21 GLN 9 -3.967 2.357 2.185
73 HE22 GLN 9 HE22 GLN 9 -4.210 3.503 0.873
74 H THR 10 H THR 10 -8.211 -0.421 5.668
75 HA THR 10 HA THR 10 -9.021 1.052 7.293
76 HB THR 10 HB THR 10 -6.083 1.469 7.866
77 HG1 THR 10 HG1 THR 10 -7.775 -0.770 8.119
78 HG21 THR 10 HG21 THR 10 -8.451 1.008 9.694
79 HG22 THR 10 HG22 THR 10 -7.767 2.611 9.374
80 HG23 THR 10 HG23 THR 10 -6.793 1.385 10.189
81 H CYS 11 H CYS 11 -9.573 2.438 5.220
82 HA CYS 11 HA CYS 11 -7.809 4.677 4.809
83 HB2 CYS 11 HB2 CYS 11 -9.031 3.159 3.130
84 HB3 CYS 11 HB3 CYS 11 -10.358 4.311 3.286
85 H ASP 12 H ASP 12 -8.011 5.768 6.780
86 HA ASP 12 HA ASP 12 -10.283 7.487 7.382
87 HB2 ASP 12 HB2 ASP 12 -7.421 7.316 8.362
88 HB3 ASP 12 HB3 ASP 12 -8.525 8.577 8.890
89 H SER 13 H SER 13 -9.679 9.991 7.708
90 HA SER 13 HA SER 13 -9.525 11.310 5.202
91 HB2 SER 13 HB2 SER 13 -10.419 12.345 7.207
92 HB3 SER 13 HB3 SER 13 -8.838 12.303 7.980
93 HG SER 13 HG SER 13 -9.490 14.325 7.085
94 H GLU 14 H GLU 14 -6.894 10.695 7.545
95 HA GLU 14 HA GLU 14 -4.784 11.956 6.063
96 HB2 GLU 14 HB2 GLU 14 -4.565 11.641 8.393
97 HB3 GLU 14 HB3 GLU 14 -4.939 9.925 8.294
98 HG2 GLU 14 HG2 GLU 14 -2.794 9.447 7.229
99 HG3 GLU 14 HG3 GLU 14 -2.397 11.166 7.203
100 H ARG 15 H ARG 15 -6.273 8.779 5.594
101 HA ARG 15 HA ARG 15 -3.760 7.596 4.728
102 HB2 ARG 15 HB2 ARG 15 -6.143 6.635 5.824
103 HB3 ARG 15 HB3 ARG 15 -6.205 6.019 4.180
104 HG2 ARG 15 HG2 ARG 15 -3.667 5.737 5.857
105 HG3 ARG 15 HG3 ARG 15 -5.032 4.655 6.140
106 HD2 ARG 15 HD2 ARG 15 -4.951 3.692 4.005
107 HD3 ARG 15 HD3 ARG 15 -4.050 5.077 3.309
108 HE ARG 15 HE ARG 15 -2.091 4.024 3.844
109 HH11 ARG 15 HH11 ARG 15 -4.437 2.473 6.023
110 HH12 ARG 15 HH12 ARG 15 -3.102 1.794 6.949
111 HH21 ARG 15 HH21 ARG 15 -0.652 2.872 4.905
112 HH22 ARG 15 HH22 ARG 15 -1.118 1.934 6.325
113 H LYS 16 H LYS 16 -2.913 7.533 2.757
114 HA LYS 16 HA LYS 16 -4.167 8.569 0.382
115 HB2 LYS 16 HB2 LYS 16 -1.906 6.534 0.577
116 HB3 LYS 16 HB3 LYS 16 -2.363 7.475 -0.836
117 HG2 LYS 16 HG2 LYS 16 -1.119 8.537 1.722
118 HG3 LYS 16 HG3 LYS 16 -0.362 8.342 0.145
119 HD2 LYS 16 HD2 LYS 16 -2.407 9.986 -0.597
120 HD3 LYS 16 HD3 LYS 16 -2.284 10.442 1.108
121 HE2 LYS 16 HE2 LYS 16 -0.749 11.914 0.126
122 HE3 LYS 16 HE3 LYS 16 0.302 10.588 0.625
123 HZ1 LYS 16 HZ1 LYS 16 0.825 11.048 -1.655
124 HZ2 LYS 16 HZ2 LYS 16 -0.752 11.202 -2.058
125 HZ3 LYS 16 HZ3 LYS 16 -0.153 9.715 -1.773
126 H CYS 17 H CYS 17 -5.814 7.660 -0.807
127 HA CYS 17 HA CYS 17 -6.604 4.921 -0.515
128 HB2 CYS 17 HB2 CYS 17 -8.073 6.678 -1.436
129 HB3 CYS 17 HB3 CYS 17 -7.063 6.753 -2.880
130 H CYS 18 H CYS 18 -6.077 3.114 -1.631
131 HA CYS 18 HA CYS 18 -3.489 2.779 -2.656
132 HB2 CYS 18 HB2 CYS 18 -5.055 1.178 -1.498
133 HB3 CYS 18 HB3 CYS 18 -5.941 1.032 -3.003
134 H GLU 19 H GLU 19 -6.543 3.158 -4.453
135 HA GLU 19 HA GLU 19 -5.111 2.951 -7.064
136 HB2 GLU 19 HB2 GLU 19 -7.639 1.400 -6.419
137 HB3 GLU 19 HB3 GLU 19 -6.664 1.341 -7.888
138 HG2 GLU 19 HG2 GLU 19 -4.748 0.532 -6.282
139 HG3 GLU 19 HG3 GLU 19 -6.053 0.219 -5.143
140 H GLY 20 H GLY 20 -6.655 5.239 -5.560
141 HA2 GLY 20 HA2 GLY 20 -7.925 7.045 -6.296
142 HA3 GLY 20 HA3 GLY 20 -7.846 6.398 -7.929
143 H MET 21 H MET 21 -9.395 5.555 -4.806
144 HA MET 21 HA MET 21 -11.941 4.791 -6.140
145 HB2 MET 21 HB2 MET 21 -10.295 2.963 -4.359
146 HB3 MET 21 HB3 MET 21 -11.895 2.632 -5.012
147 HG2 MET 21 HG2 MET 21 -9.400 3.019 -6.680
148 HG3 MET 21 HG3 MET 21 -10.098 1.471 -6.236
149 HE1 MET 21 HE1 MET 21 -10.684 1.751 -10.112
150 HE2 MET 21 HE2 MET 21 -9.463 2.797 -9.371
151 HE3 MET 21 HE3 MET 21 -9.633 1.120 -8.822
152 H VAL 22 H VAL 22 -13.413 3.816 -4.117
153 HA VAL 22 HA VAL 22 -13.921 6.124 -2.467
154 HB VAL 22 HB VAL 22 -15.013 3.302 -2.149
155 HG11 VAL 22 HG11 VAL 22 -15.370 4.644 -0.112
156 HG12 VAL 22 HG12 VAL 22 -16.013 5.986 -1.089
157 HG13 VAL 22 HG13 VAL 22 -16.890 4.442 -0.977
158 HG21 VAL 22 HG21 VAL 22 -16.168 5.678 -3.647
159 HG22 VAL 22 HG22 VAL 22 -15.579 4.155 -4.355
160 HG23 VAL 22 HG23 VAL 22 -17.002 4.143 -3.313
161 H CYS 23 H CYS 23 -12.449 6.739 -0.991
162 HA CYS 23 HA CYS 23 -11.150 4.829 0.819
163 HB2 CYS 23 HB2 CYS 23 -9.989 6.762 -0.161
164 HB3 CYS 23 HB3 CYS 23 -11.101 7.851 0.651
165 H ARG 24 H ARG 24 -12.767 3.889 1.985
166 HA ARG 24 HA ARG 24 -13.646 5.358 4.363
167 HB2 ARG 24 HB2 ARG 24 -15.653 4.302 2.333
168 HB3 ARG 24 HB3 ARG 24 -15.996 4.151 4.042
169 HG2 ARG 24 HG2 ARG 24 -16.893 6.143 4.012
170 HG3 ARG 24 HG3 ARG 24 -15.257 6.819 3.932
171 HD2 ARG 24 HD2 ARG 24 -15.418 6.725 1.409
172 HD3 ARG 24 HD3 ARG 24 -17.067 6.111 1.571
173 HE ARG 24 HE ARG 24 -16.833 8.370 3.236
174 HH11 ARG 24 HH11 ARG 24 -17.690 7.549 -0.047
175 HH12 ARG 24 HH12 ARG 24 -18.089 9.219 -0.411
176 HH21 ARG 24 HH21 ARG 24 -17.276 10.468 2.632
177 HH22 ARG 24 HH22 ARG 24 -18.059 10.723 1.089
178 H LEU 25 H LEU 25 -12.785 4.076 5.880
179 HA LEU 25 HA LEU 25 -11.973 2.280 7.004
180 HB2 LEU 25 HB2 LEU 25 -14.064 0.521 5.745
181 HB3 LEU 25 HB3 LEU 25 -13.314 0.379 7.323
182 HG LEU 25 HG LEU 25 -15.329 2.529 6.502
183 HD11 LEU 25 HD11 LEU 25 -16.843 1.271 7.945
184 HD12 LEU 25 HD12 LEU 25 -15.568 0.079 8.267
185 HD13 LEU 25 HD13 LEU 25 -16.252 0.246 6.629
186 HD21 LEU 25 HD21 LEU 25 -15.422 3.045 8.906
187 HD22 LEU 25 HD22 LEU 25 -13.786 3.306 8.280
188 HD23 LEU 25 HD23 LEU 25 -14.141 1.852 9.235
189 H TRP 26 H TRP 26 -12.232 1.834 3.626
190 HA TRP 26 HA TRP 26 -9.694 0.403 3.358
191 HB2 TRP 26 HB2 TRP 26 -11.043 -1.140 1.670
192 HB3 TRP 26 HB3 TRP 26 -10.929 -1.486 3.380
193 HD1 TRP 26 HD1 TRP 26 -13.003 -2.212 4.513
194 HE1 TRP 26 HE1 TRP 26 -15.525 -1.881 4.250
195 HE3 TRP 26 HE3 TRP 26 -13.008 1.076 0.563
196 HZ2 TRP 26 HZ2 TRP 26 -17.296 -0.335 2.633
197 HZ3 TRP 26 HZ3 TRP 26 -15.108 2.119 -0.155
198 HH2 TRP 26 HH2 TRP 26 -17.265 1.465 0.895
199 H CYS 27 H CYS 27 -9.483 0.104 0.767
200 HA CYS 27 HA CYS 27 -11.191 2.043 -0.614
201 HB2 CYS 27 HB2 CYS 27 -8.273 1.741 -1.129
202 HB3 CYS 27 HB3 CYS 27 -9.369 1.865 -2.509
203 H LYS 28 H LYS 28 -12.296 1.212 -2.330
204 HA LYS 28 HA LYS 28 -11.990 -1.689 -3.005
205 HB2 LYS 28 HB2 LYS 28 -14.462 -0.262 -2.016
206 HB3 LYS 28 HB3 LYS 28 -14.558 -1.750 -2.948
207 HG2 LYS 28 HG2 LYS 28 -13.071 -1.517 -0.296
208 HG3 LYS 28 HG3 LYS 28 -14.752 -2.018 -0.469
209 HD2 LYS 28 HD2 LYS 28 -13.913 -3.893 -1.996
210 HD3 LYS 28 HD3 LYS 28 -12.277 -3.478 -1.472
211 HE2 LYS 28 HE2 LYS 28 -12.981 -3.804 0.910
212 HE3 LYS 28 HE3 LYS 28 -14.616 -4.178 0.363
213 HZ1 LYS 28 HZ1 LYS 28 -12.200 -5.824 -0.167
214 HZ2 LYS 28 HZ2 LYS 28 -13.659 -6.090 -0.869
215 HZ3 LYS 28 HZ3 LYS 28 -13.537 -6.208 0.741
216 H LYS 29 H LYS 29 -12.166 -2.036 -5.176
217 HA LYS 29 HA LYS 29 -11.998 0.103 -6.975
218 HB2 LYS 29 HB2 LYS 29 -12.610 -2.812 -7.367
219 HB3 LYS 29 HB3 LYS 29 -12.793 -1.697 -8.722
220 HG2 LYS 29 HG2 LYS 29 -10.494 -1.015 -8.650
221 HG3 LYS 29 HG3 LYS 29 -10.207 -1.913 -7.157
222 HD2 LYS 29 HD2 LYS 29 -10.731 -4.032 -8.346
223 HD3 LYS 29 HD3 LYS 29 -10.977 -3.136 -9.848
224 HE2 LYS 29 HE2 LYS 29 -8.612 -2.445 -9.864
225 HE3 LYS 29 HE3 LYS 29 -8.357 -3.181 -8.279
226 HZ1 LYS 29 HZ1 LYS 29 -8.903 -5.347 -9.270
227 HZ2 LYS 29 HZ2 LYS 29 -7.609 -4.693 -10.029
228 HZ3 LYS 29 HZ3 LYS 29 -9.097 -4.679 -10.748
229 H LYS 30 H LYS 30 -13.268 1.495 -7.813
230 HA LYS 30 HA LYS 30 -16.048 1.006 -8.576
231 HB2 LYS 30 HB2 LYS 30 -16.082 1.711 -6.107
232 HB3 LYS 30 HB3 LYS 30 -15.455 3.270 -6.629
233 HG2 LYS 30 HG2 LYS 30 -17.498 3.344 -8.249
234 HG3 LYS 30 HG3 LYS 30 -18.110 1.949 -7.356
235 HD2 LYS 30 HD2 LYS 30 -17.984 3.307 -5.246
236 HD3 LYS 30 HD3 LYS 30 -17.448 4.696 -6.208
237 HE2 LYS 30 HE2 LYS 30 -19.636 4.337 -7.576
238 HE3 LYS 30 HE3 LYS 30 -20.134 3.282 -6.239
239 HZ1 LYS 30 HZ1 LYS 30 -19.565 5.332 -4.786
240 HZ2 LYS 30 HZ2 LYS 30 -20.938 5.438 -5.686
241 HZ3 LYS 30 HZ3 LYS 30 -19.594 6.179 -6.198
242 H LEU 31 H LEU 31 -14.544 1.164 -10.450
243 HA LEU 31 HA LEU 31 -14.961 3.632 -11.775
244 HB2 LEU 31 HB2 LEU 31 -12.345 3.371 -10.534
245 HB3 LEU 31 HB3 LEU 31 -12.134 3.304 -12.273
246 HG LEU 31 HG LEU 31 -13.678 5.496 -10.807
247 HD11 LEU 31 HD11 LEU 31 -11.758 6.915 -11.201
248 HD12 LEU 31 HD12 LEU 31 -10.885 5.592 -12.014
249 HD13 LEU 31 HD13 LEU 31 -11.234 5.491 -10.280
250 HD21 LEU 31 HD21 LEU 31 -13.417 6.719 -12.956
251 HD22 LEU 31 HD22 LEU 31 -14.408 5.284 -13.144
252 HD23 LEU 31 HD23 LEU 31 -12.709 5.264 -13.687
253 H LEU 32 H LEU 32 -14.485 3.475 -14.040
254 HA LEU 32 HA LEU 32 -14.241 0.636 -15.059
255 HB2 LEU 32 HB2 LEU 32 -16.271 2.846 -15.805
256 HB3 LEU 32 HB3 LEU 32 -16.025 1.326 -16.663
257 HG LEU 32 HG LEU 32 -16.520 0.164 -14.354
258 HD11 LEU 32 HD11 LEU 32 -18.344 1.428 -13.097
259 HD12 LEU 32 HD12 LEU 32 -17.851 2.895 -13.960
260 HD13 LEU 32 HD13 LEU 32 -16.747 2.093 -12.836
261 HD21 LEU 32 HD21 LEU 32 -18.910 0.095 -14.964
262 HD22 LEU 32 HD22 LEU 32 -17.936 0.075 -16.441
263 HD23 LEU 32 HD23 LEU 32 -18.734 1.570 -15.928
Start of MODEL 20
1 H1 GLY 1 H1 GLY 1 5.082 -3.594 -2.707
2 H2 GLY 1 H2 GLY 1 4.907 -4.568 -1.383
3 H3 GLY 1 H3 GLY 1 5.260 -5.217 -2.861
4 HA2 GLY 1 HA2 GLY 1 3.167 -4.462 -3.751
5 HA3 GLY 1 HA3 GLY 1 2.974 -5.616 -2.422
6 HA PRO 2 HA PRO 2 1.583 -1.191 -1.229
7 HB2 PRO 2 HB2 PRO 2 -0.508 -0.320 -2.755
8 HB3 PRO 2 HB3 PRO 2 1.209 -0.148 -3.222
9 HG2 PRO 2 HG2 PRO 2 -0.744 -2.310 -4.085
10 HG3 PRO 2 HG3 PRO 2 0.310 -1.299 -5.125
11 HD2 PRO 2 HD2 PRO 2 1.053 -3.802 -4.331
12 HD3 PRO 2 HD3 PRO 2 2.247 -2.476 -4.474
13 H TYR 3 H TYR 3 -0.543 -3.872 -2.043
14 HA TYR 3 HA TYR 3 -2.323 -4.766 -1.006
15 HB2 TYR 3 HB2 TYR 3 -0.179 -4.542 1.043
16 HB3 TYR 3 HB3 TYR 3 -1.674 -5.395 1.394
17 HD1 TYR 3 HD1 TYR 3 1.538 -5.748 -0.131
18 HD2 TYR 3 HD2 TYR 3 -2.535 -7.171 -0.252
19 HE1 TYR 3 HE1 TYR 3 2.296 -7.864 -1.219
20 HE2 TYR 3 HE2 TYR 3 -1.776 -9.261 -1.355
21 HH TYR 3 HH TYR 3 1.649 -10.048 -1.604
22 H CYS 4 H CYS 4 -3.363 -2.446 -1.438
23 HA CYS 4 HA CYS 4 -4.913 -1.831 1.032
24 HB2 CYS 4 HB2 CYS 4 -4.702 0.551 0.193
25 HB3 CYS 4 HB3 CYS 4 -3.283 -0.187 0.889
26 H GLN 5 H GLN 5 -5.295 -2.648 -2.202
27 HA GLN 5 HA GLN 5 -8.099 -1.613 -2.330
28 HB2 GLN 5 HB2 GLN 5 -6.743 -0.931 -4.156
29 HB3 GLN 5 HB3 GLN 5 -6.037 -2.522 -4.364
30 HG2 GLN 5 HG2 GLN 5 -8.935 -2.637 -4.691
31 HG3 GLN 5 HG3 GLN 5 -8.268 -1.395 -5.720
32 HE21 GLN 5 HE21 GLN 5 -6.110 -2.188 -6.994
33 HE22 GLN 5 HE22 GLN 5 -6.208 -3.857 -7.548
34 H LYS 6 H LYS 6 -6.168 -4.538 -2.912
35 HA LYS 6 HA LYS 6 -8.496 -6.302 -2.704
36 HB2 LYS 6 HB2 LYS 6 -6.186 -6.421 -4.149
37 HB3 LYS 6 HB3 LYS 6 -5.754 -7.471 -2.794
38 HG2 LYS 6 HG2 LYS 6 -7.778 -8.839 -3.190
39 HG3 LYS 6 HG3 LYS 6 -8.319 -7.728 -4.448
40 HD2 LYS 6 HD2 LYS 6 -5.890 -9.552 -4.532
41 HD3 LYS 6 HD3 LYS 6 -7.368 -9.706 -5.473
42 HE2 LYS 6 HE2 LYS 6 -5.243 -7.542 -5.739
43 HE3 LYS 6 HE3 LYS 6 -5.591 -8.842 -6.874
44 HZ1 LYS 6 HZ1 LYS 6 -6.582 -6.756 -7.589
45 HZ2 LYS 6 HZ2 LYS 6 -7.479 -6.614 -6.255
46 HZ3 LYS 6 HZ3 LYS 6 -7.736 -7.860 -7.329
47 H TRP 7 H TRP 7 -6.896 -4.709 -0.357
48 HA TRP 7 HA TRP 7 -7.434 -6.689 1.735
49 HB2 TRP 7 HB2 TRP 7 -5.129 -7.182 0.862
50 HB3 TRP 7 HB3 TRP 7 -4.652 -5.544 1.250
51 HD1 TRP 7 HD1 TRP 7 -4.185 -5.003 3.818
52 HE1 TRP 7 HE1 TRP 7 -3.842 -6.465 5.908
53 HE3 TRP 7 HE3 TRP 7 -6.076 -9.410 2.030
54 HZ2 TRP 7 HZ2 TRP 7 -4.248 -9.232 6.660
55 HZ3 TRP 7 HZ3 TRP 7 -6.009 -11.465 3.428
56 HH2 TRP 7 HH2 TRP 7 -5.117 -11.384 5.742
57 H MET 8 H MET 8 -7.658 -5.623 3.794
58 HA MET 8 HA MET 8 -8.818 -3.028 3.243
59 HB2 MET 8 HB2 MET 8 -8.960 -4.793 5.697
60 HB3 MET 8 HB3 MET 8 -9.905 -3.313 5.450
61 HG2 MET 8 HG2 MET 8 -10.927 -4.295 3.422
62 HG3 MET 8 HG3 MET 8 -9.939 -5.737 3.618
63 HE1 MET 8 HE1 MET 8 -12.642 -7.897 4.694
64 HE2 MET 8 HE2 MET 8 -12.254 -6.995 3.230
65 HE3 MET 8 HE3 MET 8 -10.957 -7.758 4.177
66 H GLN 9 H GLN 9 -7.260 -1.496 3.077
67 HA GLN 9 HA GLN 9 -5.130 -1.130 4.879
68 HB2 GLN 9 HB2 GLN 9 -4.659 0.904 3.680
69 HB3 GLN 9 HB3 GLN 9 -5.061 -0.394 2.579
70 HG2 GLN 9 HG2 GLN 9 -7.281 0.539 2.161
71 HG3 GLN 9 HG3 GLN 9 -7.052 1.755 3.418
72 HE21 GLN 9 HE21 GLN 9 -4.094 2.243 2.357
73 HE22 GLN 9 HE22 GLN 9 -4.513 3.384 1.084
74 H THR 10 H THR 10 -8.290 -0.254 5.810
75 HA THR 10 HA THR 10 -9.174 1.285 7.233
76 HB THR 10 HB THR 10 -6.449 1.702 8.476
77 HG1 THR 10 HG1 THR 10 -7.973 -0.552 8.362
78 HG21 THR 10 HG21 THR 10 -8.355 3.199 9.169
79 HG22 THR 10 HG22 THR 10 -7.751 2.166 10.459
80 HG23 THR 10 HG23 THR 10 -9.280 1.766 9.625
81 H CYS 11 H CYS 11 -9.585 2.585 5.391
82 HA CYS 11 HA CYS 11 -7.732 4.690 4.659
83 HB2 CYS 11 HB2 CYS 11 -9.212 3.284 3.133
84 HB3 CYS 11 HB3 CYS 11 -10.521 4.397 3.546
85 H ASP 12 H ASP 12 -7.786 5.523 6.965
86 HA ASP 12 HA ASP 12 -9.618 7.619 7.675
87 HB2 ASP 12 HB2 ASP 12 -6.603 7.380 8.038
88 HB3 ASP 12 HB3 ASP 12 -7.581 8.687 8.694
89 H SER 13 H SER 13 -9.597 9.896 7.112
90 HA SER 13 HA SER 13 -8.981 10.510 4.427
91 HB2 SER 13 HB2 SER 13 -9.612 12.755 4.912
92 HB3 SER 13 HB3 SER 13 -10.653 11.678 5.841
93 HG SER 13 HG SER 13 -9.391 12.153 7.705
94 H GLU 14 H GLU 14 -6.636 10.212 6.781
95 HA GLU 14 HA GLU 14 -4.731 12.084 5.485
96 HB2 GLU 14 HB2 GLU 14 -3.203 11.408 7.259
97 HB3 GLU 14 HB3 GLU 14 -4.680 12.124 7.883
98 HG2 GLU 14 HG2 GLU 14 -5.534 9.960 8.586
99 HG3 GLU 14 HG3 GLU 14 -4.224 9.115 7.763
100 H ARG 15 H ARG 15 -5.792 8.880 4.963
101 HA ARG 15 HA ARG 15 -3.083 7.879 4.311
102 HB2 ARG 15 HB2 ARG 15 -4.662 6.554 5.745
103 HB3 ARG 15 HB3 ARG 15 -5.700 6.320 4.326
104 HG2 ARG 15 HG2 ARG 15 -3.869 5.136 3.149
105 HG3 ARG 15 HG3 ARG 15 -2.743 5.552 4.446
106 HD2 ARG 15 HD2 ARG 15 -4.359 4.292 6.024
107 HD3 ARG 15 HD3 ARG 15 -5.084 3.613 4.518
108 HE ARG 15 HE ARG 15 -2.589 3.028 3.957
109 HH11 ARG 15 HH11 ARG 15 -4.159 2.293 6.943
110 HH12 ARG 15 HH12 ARG 15 -2.671 1.839 7.760
111 HH21 ARG 15 HH21 ARG 15 -0.727 2.120 4.967
112 HH22 ARG 15 HH22 ARG 15 -0.969 1.427 6.564
113 H LYS 16 H LYS 16 -2.336 7.419 2.392
114 HA LYS 16 HA LYS 16 -3.281 8.020 -0.164
115 HB2 LYS 16 HB2 LYS 16 -1.772 6.171 -0.903
116 HB3 LYS 16 HB3 LYS 16 -1.025 7.360 0.153
117 HG2 LYS 16 HG2 LYS 16 -0.707 5.866 1.902
118 HG3 LYS 16 HG3 LYS 16 -2.129 4.932 1.539
119 HD2 LYS 16 HD2 LYS 16 -0.400 3.484 1.059
120 HD3 LYS 16 HD3 LYS 16 -0.949 4.033 -0.526
121 HE2 LYS 16 HE2 LYS 16 0.961 5.706 -0.528
122 HE3 LYS 16 HE3 LYS 16 1.471 5.055 1.033
123 HZ1 LYS 16 HZ1 LYS 16 2.733 3.786 -0.432
124 HZ2 LYS 16 HZ2 LYS 16 1.636 3.815 -1.615
125 HZ3 LYS 16 HZ3 LYS 16 1.381 2.812 -0.348
126 H CYS 17 H CYS 17 -5.462 7.625 -0.648
127 HA CYS 17 HA CYS 17 -6.712 5.055 -0.236
128 HB2 CYS 17 HB2 CYS 17 -8.052 7.024 -0.498
129 HB3 CYS 17 HB3 CYS 17 -7.375 7.349 -2.095
130 H CYS 18 H CYS 18 -6.305 3.233 -1.217
131 HA CYS 18 HA CYS 18 -4.052 2.814 -2.498
132 HB2 CYS 18 HB2 CYS 18 -5.792 1.161 -1.550
133 HB3 CYS 18 HB3 CYS 18 -6.407 1.037 -3.187
134 H GLU 19 H GLU 19 -7.052 2.891 -4.426
135 HA GLU 19 HA GLU 19 -5.483 3.463 -6.912
136 HB2 GLU 19 HB2 GLU 19 -8.246 2.243 -6.779
137 HB3 GLU 19 HB3 GLU 19 -7.196 2.370 -8.189
138 HG2 GLU 19 HG2 GLU 19 -6.712 0.585 -5.774
139 HG3 GLU 19 HG3 GLU 19 -7.482 0.095 -7.275
140 H GLY 20 H GLY 20 -6.642 5.306 -4.751
141 HA2 GLY 20 HA2 GLY 20 -7.570 7.372 -4.661
142 HA3 GLY 20 HA3 GLY 20 -7.616 7.361 -6.427
143 H MET 21 H MET 21 -9.504 4.839 -4.971
144 HA MET 21 HA MET 21 -11.963 6.411 -5.523
145 HB2 MET 21 HB2 MET 21 -12.924 4.416 -6.614
146 HB3 MET 21 HB3 MET 21 -11.532 5.111 -7.437
147 HG2 MET 21 HG2 MET 21 -10.096 3.322 -6.378
148 HG3 MET 21 HG3 MET 21 -11.578 2.579 -5.780
149 HE1 MET 21 HE1 MET 21 -9.162 3.076 -8.812
150 HE2 MET 21 HE2 MET 21 -10.198 2.754 -10.207
151 HE3 MET 21 HE3 MET 21 -10.421 4.241 -9.257
152 H VAL 22 H VAL 22 -13.277 6.638 -3.996
153 HA VAL 22 HA VAL 22 -14.539 6.398 -2.167
154 HB VAL 22 HB VAL 22 -15.038 3.633 -3.249
155 HG11 VAL 22 HG11 VAL 22 -16.183 4.059 -1.067
156 HG12 VAL 22 HG12 VAL 22 -16.817 5.595 -1.700
157 HG13 VAL 22 HG13 VAL 22 -17.325 4.029 -2.389
158 HG21 VAL 22 HG21 VAL 22 -16.163 6.391 -3.975
159 HG22 VAL 22 HG22 VAL 22 -15.171 5.368 -5.021
160 HG23 VAL 22 HG23 VAL 22 -16.787 4.846 -4.569
161 H CYS 23 H CYS 23 -12.625 6.710 -1.030
162 HA CYS 23 HA CYS 23 -11.440 4.785 0.742
163 HB2 CYS 23 HB2 CYS 23 -10.472 6.926 -0.041
164 HB3 CYS 23 HB3 CYS 23 -11.721 7.805 0.822
165 H ARG 24 H ARG 24 -13.236 3.627 1.536
166 HA ARG 24 HA ARG 24 -14.404 4.800 4.024
167 HB2 ARG 24 HB2 ARG 24 -16.002 3.444 1.831
168 HB3 ARG 24 HB3 ARG 24 -16.466 3.324 3.522
169 HG2 ARG 24 HG2 ARG 24 -17.706 5.139 2.983
170 HG3 ARG 24 HG3 ARG 24 -16.239 5.960 3.557
171 HD2 ARG 24 HD2 ARG 24 -15.477 5.967 1.081
172 HD3 ARG 24 HD3 ARG 24 -17.083 5.341 0.696
173 HE ARG 24 HE ARG 24 -18.043 7.342 1.827
174 HH11 ARG 24 HH11 ARG 24 -14.600 7.776 1.479
175 HH12 ARG 24 HH12 ARG 24 -14.793 9.447 0.978
176 HH21 ARG 24 HH21 ARG 24 -18.185 9.427 1.129
177 HH22 ARG 24 HH22 ARG 24 -16.725 10.387 0.920
178 H LEU 25 H LEU 25 -12.948 3.857 5.227
179 HA LEU 25 HA LEU 25 -11.631 2.399 6.269
180 HB2 LEU 25 HB2 LEU 25 -13.666 0.234 5.738
181 HB3 LEU 25 HB3 LEU 25 -12.459 0.292 7.017
182 HG LEU 25 HG LEU 25 -14.889 2.132 6.746
183 HD11 LEU 25 HD11 LEU 25 -15.623 1.000 8.812
184 HD12 LEU 25 HD12 LEU 25 -14.208 -0.067 8.734
185 HD13 LEU 25 HD13 LEU 25 -15.448 -0.134 7.460
186 HD21 LEU 25 HD21 LEU 25 -12.798 2.011 8.970
187 HD22 LEU 25 HD22 LEU 25 -14.293 2.977 8.981
188 HD23 LEU 25 HD23 LEU 25 -13.022 3.356 7.828
189 H TRP 26 H TRP 26 -12.401 1.529 3.005
190 HA TRP 26 HA TRP 26 -9.590 0.891 2.503
191 HB2 TRP 26 HB2 TRP 26 -10.459 -1.200 1.163
192 HB3 TRP 26 HB3 TRP 26 -10.125 -1.280 2.869
193 HD1 TRP 26 HD1 TRP 26 -11.953 -2.143 4.421
194 HE1 TRP 26 HE1 TRP 26 -14.447 -2.714 4.238
195 HE3 TRP 26 HE3 TRP 26 -12.980 0.063 -0.064
196 HZ2 TRP 26 HZ2 TRP 26 -16.503 -2.590 2.221
197 HZ3 TRP 26 HZ3 TRP 26 -15.233 -0.133 -1.082
198 HH2 TRP 26 HH2 TRP 26 -16.973 -1.521 0.007
199 H CYS 27 H CYS 27 -9.552 0.294 -0.091
200 HA CYS 27 HA CYS 27 -11.456 2.062 -1.556
201 HB2 CYS 27 HB2 CYS 27 -8.433 2.085 -1.828
202 HB3 CYS 27 HB3 CYS 27 -9.568 2.833 -2.959
203 H LYS 28 H LYS 28 -12.424 -0.123 -1.774
204 HA LYS 28 HA LYS 28 -11.092 -2.364 -2.846
205 HB2 LYS 28 HB2 LYS 28 -13.007 -2.602 -1.467
206 HB3 LYS 28 HB3 LYS 28 -14.020 -1.643 -2.536
207 HG2 LYS 28 HG2 LYS 28 -12.910 -4.119 -3.776
208 HG3 LYS 28 HG3 LYS 28 -13.977 -4.375 -2.399
209 HD2 LYS 28 HD2 LYS 28 -15.754 -3.030 -3.470
210 HD3 LYS 28 HD3 LYS 28 -14.726 -2.774 -4.885
211 HE2 LYS 28 HE2 LYS 28 -14.626 -5.218 -5.271
212 HE3 LYS 28 HE3 LYS 28 -15.631 -5.495 -3.847
213 HZ1 LYS 28 HZ1 LYS 28 -17.446 -4.299 -4.950
214 HZ2 LYS 28 HZ2 LYS 28 -16.919 -5.500 -5.927
215 HZ3 LYS 28 HZ3 LYS 28 -16.497 -3.961 -6.253
216 H LYS 29 H LYS 29 -13.465 -0.393 -4.541
217 HA LYS 29 HA LYS 29 -12.180 0.162 -6.878
218 HB2 LYS 29 HB2 LYS 29 -13.272 -2.611 -7.044
219 HB3 LYS 29 HB3 LYS 29 -13.872 -1.536 -8.293
220 HG2 LYS 29 HG2 LYS 29 -11.517 -0.888 -8.884
221 HG3 LYS 29 HG3 LYS 29 -10.935 -2.076 -7.719
222 HD2 LYS 29 HD2 LYS 29 -10.855 -3.239 -9.751
223 HD3 LYS 29 HD3 LYS 29 -12.358 -3.804 -9.016
224 HE2 LYS 29 HE2 LYS 29 -13.538 -1.960 -10.393
225 HE3 LYS 29 HE3 LYS 29 -11.991 -1.737 -11.225
226 HZ1 LYS 29 HZ1 LYS 29 -13.256 -3.279 -12.502
227 HZ2 LYS 29 HZ2 LYS 29 -13.650 -4.190 -11.173
228 HZ3 LYS 29 HZ3 LYS 29 -12.098 -4.148 -11.764
229 H LYS 30 H LYS 30 -13.424 1.719 -7.860
230 HA LYS 30 HA LYS 30 -16.276 1.465 -8.178
231 HB2 LYS 30 HB2 LYS 30 -15.700 2.430 -5.707
232 HB3 LYS 30 HB3 LYS 30 -15.707 3.934 -6.594
233 HG2 LYS 30 HG2 LYS 30 -17.992 1.888 -6.635
234 HG3 LYS 30 HG3 LYS 30 -17.885 3.200 -5.479
235 HD2 LYS 30 HD2 LYS 30 -17.727 4.758 -7.575
236 HD3 LYS 30 HD3 LYS 30 -18.383 3.368 -8.455
237 HE2 LYS 30 HE2 LYS 30 -19.620 4.976 -6.184
238 HE3 LYS 30 HE3 LYS 30 -20.139 4.906 -7.867
239 HZ1 LYS 30 HZ1 LYS 30 -21.576 3.587 -6.563
240 HZ2 LYS 30 HZ2 LYS 30 -20.381 2.762 -5.842
241 HZ3 LYS 30 HZ3 LYS 30 -20.714 2.512 -7.453
242 H LEU 31 H LEU 31 -14.068 1.791 -9.972
243 HA LEU 31 HA LEU 31 -15.111 4.059 -11.456
244 HB2 LEU 31 HB2 LEU 31 -13.337 5.158 -10.213
245 HB3 LEU 31 HB3 LEU 31 -12.179 3.946 -10.771
246 HG LEU 31 HG LEU 31 -12.335 4.714 -13.059
247 HD11 LEU 31 HD11 LEU 31 -14.674 5.456 -13.251
248 HD12 LEU 31 HD12 LEU 31 -13.608 6.803 -13.610
249 HD13 LEU 31 HD13 LEU 31 -14.402 6.716 -12.025
250 HD21 LEU 31 HD21 LEU 31 -11.358 6.913 -12.800
251 HD22 LEU 31 HD22 LEU 31 -10.832 5.908 -11.442
252 HD23 LEU 31 HD23 LEU 31 -12.117 7.124 -11.218
253 H LEU 32 H LEU 32 -15.542 3.443 -13.333
254 HA LEU 32 HA LEU 32 -14.197 1.090 -14.622
255 HB2 LEU 32 HB2 LEU 32 -17.058 2.220 -14.613
256 HB3 LEU 32 HB3 LEU 32 -16.564 0.821 -15.557
257 HG LEU 32 HG LEU 32 -16.444 1.003 -12.501
258 HD11 LEU 32 HD11 LEU 32 -18.282 -0.589 -14.330
259 HD12 LEU 32 HD12 LEU 32 -18.733 0.893 -13.458
260 HD13 LEU 32 HD13 LEU 32 -18.310 -0.569 -12.556
261 HD21 LEU 32 HD21 LEU 32 -16.078 -1.515 -12.705
262 HD22 LEU 32 HD22 LEU 32 -14.700 -0.535 -13.194
263 HD23 LEU 32 HD23 LEU 32 -15.756 -1.268 -14.423