Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
649659 | 6vgt RC | 30710 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ABA 1 HT1 ABU 1 8.739 -14.037 -9.881
2 H2 ABA 1 HT2 ABU 1 7.367 -13.918 -8.885
3 H3 ABA 1 HT3 ABU 1 8.503 -15.155 -8.627
4 HA ABA 1 HA ABU 1 8.447 -12.588 -7.510
5 HB2 ABA 1 HB2 ABU 1 10.270 -14.993 -7.374
6 HG1 ABA 1 HG1 ABU 1 7.871 -14.012 -6.009
7 HG3 ABA 1 HG3 ABU 1 8.561 -15.634 -6.034
8 HG2 ABA 1 HG2 ABU 1 9.164 -14.437 -4.888
9 H DBU 2 HN DHB 2 11.073 -14.203 -9.324
10 HB DBU 2 HB DHB 2 13.603 -12.596 -11.689
11 HG1 DBU 2 HG1 DHB 2 13.573 -15.048 -11.977
12 HG2 DBU 2 HG2 DHB 2 12.097 -14.472 -12.754
13 HG3 DBU 2 HG3 DHB 2 12.028 -15.168 -11.135
14 HA PRO 3 HA PRO 3 13.782 -8.758 -9.843
15 HB2 PRO 3 HB2 PRO 3 11.466 -7.698 -11.396
16 HB3 PRO 3 HB1 PRO 3 13.176 -7.272 -11.502
17 HG2 PRO 3 HG2 PRO 3 12.052 -8.753 -13.353
18 HG3 PRO 3 HG1 PRO 3 13.689 -9.118 -12.775
19 HD2 PRO 3 HD2 PRO 3 11.115 -10.482 -12.123
20 HD3 PRO 3 HD1 PRO 3 12.723 -11.178 -12.377
21 H VAL 4 HN VAL 4 10.291 -9.373 -9.730
22 HA VAL 4 HA VAL 4 9.574 -7.292 -7.978
23 HB VAL 4 HB VAL 4 8.357 -9.958 -8.647
24 HG11 VAL 4 HG11 VAL 4 7.902 -8.367 -6.256
25 HG12 VAL 4 HG12 VAL 4 7.238 -9.943 -6.689
26 HG13 VAL 4 HG13 VAL 4 6.444 -8.468 -7.243
27 HG21 VAL 4 HG21 VAL 4 6.562 -8.412 -9.504
28 HG22 VAL 4 HG22 VAL 4 8.121 -8.200 -10.304
29 HG23 VAL 4 HG23 VAL 4 7.598 -7.052 -9.072
30 H CYS 5 HN CYS 5 9.627 -10.731 -7.059
31 HA CYS 5 HA CYS 5 9.834 -10.194 -4.286
32 HB2 CYS 5 HB2 CYS 5 10.039 -12.552 -4.014
33 HB3 CYS 5 HB1 CYS 5 8.966 -12.301 -5.390
34 H ALA 6 HN ALA 6 12.239 -11.155 -6.707
35 HA ALA 6 HA ALA 6 14.442 -11.496 -5.031
36 HB1 ALA 6 HB1 ALA 6 14.588 -10.222 -7.766
37 HB2 ALA 6 HB2 ALA 6 14.324 -11.950 -7.525
38 HB3 ALA 6 HB3 ALA 6 15.817 -11.199 -6.961
39 H VAL 7 HN VAL 7 13.254 -8.512 -6.574
40 HA VAL 7 HA VAL 7 15.288 -6.821 -5.591
41 HB VAL 7 HB VAL 7 12.467 -6.318 -6.532
42 HG11 VAL 7 HG11 VAL 7 13.354 -3.878 -6.599
43 HG12 VAL 7 HG12 VAL 7 14.524 -4.432 -5.401
44 HG13 VAL 7 HG13 VAL 7 12.797 -4.519 -5.054
45 HG21 VAL 7 HG21 VAL 7 14.356 -7.019 -8.110
46 HG22 VAL 7 HG22 VAL 7 15.124 -5.480 -7.719
47 HG23 VAL 7 HG23 VAL 7 13.547 -5.503 -8.508
48 H ALA 8 HN ALA 8 12.067 -7.648 -4.337
49 HA ALA 8 HA ALA 8 12.116 -5.923 -2.102
50 HB1 ALA 8 HB1 ALA 8 10.030 -6.898 -2.805
51 HB2 ALA 8 HB2 ALA 8 10.381 -7.492 -1.182
52 HB3 ALA 8 HB3 ALA 8 10.660 -8.530 -2.580
53 H ALA 9 HN ALA 9 13.278 -9.223 -2.584
54 HA ALA 9 HA ALA 9 13.859 -9.813 0.119
55 HB1 ALA 9 HB1 ALA 9 14.430 -11.792 -0.765
56 HB2 ALA 9 HB2 ALA 9 15.739 -11.053 -1.688
57 HB3 ALA 9 HB3 ALA 9 14.110 -11.115 -2.362
58 H DBU 10 HN DHB 10 15.720 -8.218 -2.438
59 HB DBU 10 HB DHB 10 19.421 -7.017 -1.867
60 HG1 DBU 10 HG1 DHB 10 17.945 -9.132 -3.502
61 HG2 DBU 10 HG2 DHB 10 19.393 -9.587 -2.605
62 HG3 DBU 10 HG3 DHB 10 19.494 -8.381 -3.888
63 H ALA 11 HN ALA 11 15.468 -5.850 -1.320
64 HA ALA 11 HA ALA 11 16.629 -3.821 0.268
65 HB1 ALA 11 HB1 ALA 11 14.243 -4.172 -1.147
66 HB2 ALA 11 HB2 ALA 11 14.737 -2.731 -0.258
67 HB3 ALA 11 HB3 ALA 11 13.742 -3.955 0.531
68 H ALA 12 HN ALA 12 14.647 -6.636 1.064
69 HA ALA 12 HA ALA 12 14.190 -6.003 3.783
70 HB1 ALA 12 HB1 ALA 12 14.027 -8.630 3.901
71 HB2 ALA 12 HB2 ALA 12 14.103 -8.506 2.144
72 HB3 ALA 12 HB3 ALA 12 12.807 -7.701 3.030
73 H ALA 13 HN ALA 13 16.805 -7.716 2.135
74 HA ALA 13 HA ALA 13 18.137 -8.721 4.398
75 HB1 ALA 13 HB1 ALA 13 19.017 -9.619 2.478
76 HB2 ALA 13 HB2 ALA 13 20.196 -8.335 2.742
77 HB3 ALA 13 HB3 ALA 13 18.887 -8.106 1.583
78 H ALA 14 HN ALA 14 18.553 -5.656 2.640
79 HA ALA 14 HA ALA 14 20.641 -4.653 4.259
80 HB2 ALA 14 HB2 ALA 14 19.427 -3.814 1.963
81 HB3 ALA 14 HB3 ALA 14 18.794 -2.656 3.131
82 H DHA 15 HN DHA 15 17.120 -4.535 4.556
83 HB1 DHA 15 HB1 DHA 15 14.836 -3.438 5.594
84 HB2 DHA 15 HB2 DHA 15 15.010 -3.034 7.398
85 H ALA 16 HN ALA 16 18.113 -5.516 7.524
86 HA ALA 16 HA ALA 16 18.867 -3.948 9.872
87 HB1 ALA 16 HB1 ALA 16 18.330 -6.016 10.674
88 HB2 ALA 16 HB2 ALA 16 20.028 -6.330 10.311
89 HB3 ALA 16 HB3 ALA 16 18.776 -6.831 9.174
90 H ALA 17 HN ALA 17 20.474 -5.833 7.297
91 HA ALA 17 HA ALA 17 23.122 -5.285 8.069
92 HB1 ALA 17 HB1 ALA 17 21.848 -6.018 5.445
93 HB2 ALA 17 HB2 ALA 17 22.852 -7.011 6.500
94 HB3 ALA 17 HB3 ALA 17 23.579 -5.706 5.563
95 H CYS 18 HN CYS 18 21.083 -3.647 5.648
96 HA CYS 18 HA CYS 18 22.956 -1.658 4.949
97 HB2 CYS 18 HB2 CYS 18 19.933 -1.716 4.821
98 HB3 CYS 18 HB1 CYS 18 20.915 -0.427 4.129
99 H GLY 19 HN GLY 19 20.371 -1.756 7.366
100 HA2 GLY 19 HA2 GLY 19 20.811 0.941 8.270
101 HA3 GLY 19 HA1 GLY 19 19.789 -0.267 9.043
102 H TRP 20 HN TRP 20 22.106 -2.192 9.019
103 HA TRP 20 HA TRP 20 23.031 -1.760 11.641
104 HB2 TRP 20 HB2 TRP 20 22.988 -3.961 10.502
105 HB3 TRP 20 HB1 TRP 20 24.306 -3.430 9.464
106 HD1 TRP 20 HD1 TRP 20 24.447 -2.203 12.994
107 HE1 TRP 20 HE1 TRP 20 26.325 -3.446 14.267
108 HE3 TRP 20 HE3 TRP 20 25.578 -5.875 9.621
109 HZ2 TRP 20 HZ2 TRP 20 28.045 -5.651 13.926
110 HZ3 TRP 20 HZ3 TRP 20 27.349 -7.534 10.138
111 HH2 TRP 20 HH2 TRP 20 28.573 -7.410 12.294
112 H VAL 21 HN VAL 21 24.694 -1.351 8.526
113 HA VAL 21 HA VAL 21 27.052 -0.228 9.702
114 HB VAL 21 HB VAL 21 26.337 0.296 6.853
115 HG11 VAL 21 HG11 VAL 21 28.568 0.710 8.255
116 HG12 VAL 21 HG12 VAL 21 28.624 0.227 6.559
117 HG13 VAL 21 HG13 VAL 21 28.854 -0.976 7.827
118 HG21 VAL 21 HG21 VAL 21 27.453 -2.246 6.822
119 HG22 VAL 21 HG22 VAL 21 25.756 -1.872 6.524
120 HG23 VAL 21 HG23 VAL 21 26.285 -2.340 8.140
121 H GLY 22 HN GLY 22 25.896 1.376 11.051
122 HA2 GLY 22 HA2 GLY 22 24.896 3.720 9.590
123 HA3 GLY 22 HA1 GLY 22 24.729 3.429 11.319
124 H GLY 23 HN GLY 23 27.830 2.650 10.337
125 HA2 GLY 23 HA2 GLY 23 28.889 5.367 10.695
126 HA3 GLY 23 HA1 GLY 23 29.392 4.123 11.835
127 H GLY 24 HN GLY 24 29.533 1.944 10.041
128 HA2 GLY 24 HA2 GLY 24 32.152 2.257 9.021
129 HA3 GLY 24 HA1 GLY 24 31.077 0.904 8.688
130 H ILE 25 HN ILE 25 28.962 2.359 7.483
131 HA ILE 25 HA ILE 25 29.901 2.501 4.809
132 HB ILE 25 HB ILE 25 27.496 2.064 5.837
133 HG12 ILE 25 HG12 ILE 25 28.183 1.832 3.457
134 HG13 ILE 25 HG11 ILE 25 26.566 2.524 3.615
135 HG21 ILE 25 HG21 ILE 25 27.390 5.006 5.110
136 HG22 ILE 25 HG22 ILE 25 27.356 4.390 6.762
137 HG23 ILE 25 HG23 ILE 25 26.043 4.004 5.650
138 HD11 ILE 25 HD11 ILE 25 29.146 3.958 2.966
139 HD12 ILE 25 HD12 ILE 25 27.703 4.819 3.499
140 HD13 ILE 25 HD13 ILE 25 27.670 3.887 2.003
141 H PHE 26 HN PHE 26 29.031 4.962 7.197
142 HA PHE 26 HA PHE 26 29.289 7.222 5.537
143 HB2 PHE 26 HB2 PHE 26 28.232 7.308 7.755
144 HB3 PHE 26 HB1 PHE 26 29.791 6.981 8.515
145 HD1 PHE 26 HD1 PHE 26 28.174 9.352 6.101
146 HD2 PHE 26 HD2 PHE 26 31.161 8.773 9.134
147 HE1 PHE 26 HE1 PHE 26 28.716 11.771 6.029
148 HE2 PHE 26 HE2 PHE 26 31.703 11.193 9.062
149 HZ PHE 26 HZ PHE 26 30.480 12.691 7.509
150 H THR 27 HN THR 27 31.650 5.602 7.648
151 HA THR 27 HA THR 27 33.794 7.372 7.159
152 HB THR 27 HB THR 27 33.935 5.856 9.020
153 HG1 THR 27 HG1 THR 27 35.773 4.597 7.395
154 HG21 THR 27 HG21 THR 27 34.003 3.425 8.720
155 HG22 THR 27 HG22 THR 27 33.837 3.621 6.975
156 HG23 THR 27 HG23 THR 27 32.509 4.074 8.043
157 H GLY 28 HN GLY 28 32.848 4.324 5.587
158 HA2 GLY 28 HA2 GLY 28 35.015 4.236 3.762
159 HA3 GLY 28 HA1 GLY 28 33.480 3.391 3.578
160 H VAL 29 HN VAL 29 31.724 5.565 3.518
161 HA VAL 29 HA VAL 29 31.876 6.346 0.806
162 HB VAL 29 HB VAL 29 30.139 7.007 3.139
163 HG11 VAL 29 HG11 VAL 29 30.192 9.202 2.401
164 HG12 VAL 29 HG12 VAL 29 28.929 8.552 1.355
165 HG13 VAL 29 HG13 VAL 29 30.572 8.746 0.740
166 HG21 VAL 29 HG21 VAL 29 29.967 5.144 1.236
167 HG22 VAL 29 HG22 VAL 29 29.208 6.466 0.349
168 HG23 VAL 29 HG23 VAL 29 28.525 5.927 1.883
169 H DBU 30 HN DHB 30 32.520 8.128 3.831
170 HB DBU 30 HB DHB 30 33.843 11.848 3.640
171 HG1 DBU 30 HG1 DHB 30 31.063 11.035 3.086
172 HG2 DBU 30 HG2 DHB 30 31.600 12.429 4.022
173 HG3 DBU 30 HG3 DHB 30 31.416 10.858 4.805
174 H VAL 31 HN VAL 31 35.006 7.808 3.886
175 HA VAL 31 HA VAL 31 37.587 8.879 3.483
176 HB VAL 31 HB VAL 31 36.549 6.064 3.801
177 HG11 VAL 31 HG11 VAL 31 39.358 7.082 3.358
178 HG12 VAL 31 HG12 VAL 31 38.526 5.778 2.512
179 HG13 VAL 31 HG13 VAL 31 39.037 5.559 4.186
180 HG21 VAL 31 HG21 VAL 31 38.450 7.326 5.694
181 HG22 VAL 31 HG22 VAL 31 37.010 6.361 6.022
182 HG23 VAL 31 HG23 VAL 31 36.853 8.071 5.620
183 H VAL 32 HN VAL 32 35.572 6.705 1.506
184 HA VAL 32 HA VAL 32 37.452 6.331 -0.566
185 HB VAL 32 HB VAL 32 34.459 6.062 -0.403
186 HG11 VAL 32 HG11 VAL 32 36.115 6.362 -2.770
187 HG12 VAL 32 HG12 VAL 32 34.363 6.222 -2.648
188 HG13 VAL 32 HG13 VAL 32 35.361 4.769 -2.721
189 HG21 VAL 32 HG21 VAL 32 36.868 4.340 -0.204
190 HG22 VAL 32 HG22 VAL 32 35.512 3.655 -1.101
191 HG23 VAL 32 HG23 VAL 32 35.294 4.166 0.574
192 H VAL 33 HN VAL 33 34.755 8.626 -0.212
193 HA VAL 33 HA VAL 33 35.108 9.878 -2.721
194 HB VAL 33 HB VAL 33 33.743 11.677 -1.796
195 HG11 VAL 33 HG11 VAL 33 33.065 8.817 -1.336
196 HG12 VAL 33 HG12 VAL 33 32.260 10.013 -2.352
197 HG13 VAL 33 HG13 VAL 33 31.992 10.013 -0.608
198 HG21 VAL 33 HG21 VAL 33 34.222 10.281 0.851
199 HG22 VAL 33 HG22 VAL 33 33.106 11.624 0.601
200 HG23 VAL 33 HG23 VAL 33 34.840 11.869 0.390
201 H DAL 34 HN DAL 34 36.327 10.629 0.521
202 HA DAL 34 HA DAL 34 38.172 11.848 1.174
203 HB1 DAL 34 HB2 DAL 34 37.808 13.648 -1.191
204 HB2 DAL 34 HB3 DAL 34 36.544 13.586 0.019
205 H LEU 35 HN LEU 35 39.522 10.067 0.638
206 HA LEU 35 HA LEU 35 41.816 10.406 -0.620
207 HB2 LEU 35 HB2 LEU 35 41.194 8.303 0.479
208 HB3 LEU 35 HB1 LEU 35 40.146 7.892 -0.879
209 HG LEU 35 HG LEU 35 42.058 7.850 -2.389
210 HD11 LEU 35 HD11 LEU 35 43.817 9.166 -1.858
211 HD12 LEU 35 HD12 LEU 35 44.272 7.961 -0.654
212 HD13 LEU 35 HD13 LEU 35 43.252 9.326 -0.194
213 HD21 LEU 35 HD21 LEU 35 42.661 5.752 -1.745
214 HD22 LEU 35 HD22 LEU 35 41.538 6.004 -0.409
215 HD23 LEU 35 HD23 LEU 35 43.259 6.310 -0.183
216 H LYS 36 HN LYS 36 38.763 9.778 -2.317
217 HA LYS 36 HA LYS 36 39.879 9.452 -4.891
218 HB2 LYS 36 HB2 LYS 36 37.662 8.690 -4.519
219 HB3 LYS 36 HB1 LYS 36 37.151 10.258 -3.895
220 HG2 LYS 36 HG2 LYS 36 36.337 10.215 -6.106
221 HG3 LYS 36 HG1 LYS 36 37.804 11.185 -6.195
222 HD2 LYS 36 HD2 LYS 36 38.315 9.764 -7.913
223 HD3 LYS 36 HD1 LYS 36 38.847 8.715 -6.598
224 HE2 LYS 36 HE2 LYS 36 37.162 7.247 -6.944
225 HE3 LYS 36 HE1 LYS 36 35.966 8.535 -7.097
226 HZ1 LYS 36 HZ1 LYS 36 37.110 8.930 -9.358
227 HZ2 LYS 36 HZ2 LYS 36 36.010 7.644 -9.201
228 HZ3 LYS 36 HZ3 LYS 36 37.681 7.344 -9.170
229 H HIS 37 HN HIS 37 38.499 12.293 -3.237
230 HA HIS 37 HA HIS 37 39.723 14.002 -5.326
231 HB2 HIS 37 HB2 HIS 37 37.300 14.598 -3.611
232 HB3 HIS 37 HB1 HIS 37 37.948 15.615 -4.902
233 HD2 HIS 37 HD2 HIS 37 35.596 12.577 -4.482
234 HE1 HIS 37 HE1 HIS 37 36.266 13.036 -8.627
235 HE2 HIS 37 HE2 HIS 37 34.870 11.832 -6.878
236 H CYS 38 HN CYS 38 39.270 13.483 -1.896
237 HA CYS 38 HA CYS 38 40.192 15.898 -0.860
238 HB2 CYS 38 HB2 CYS 38 40.307 13.067 0.169
239 HB3 CYS 38 HB1 CYS 38 40.944 14.416 1.096
Start of MODEL 2
1 H1 ABA 1 HT1 ABU 1 16.478 -8.981 -12.695
2 H2 ABA 1 HT2 ABU 1 17.567 -10.234 -12.330
3 H3 ABA 1 HT3 ABU 1 18.125 -8.805 -13.060
4 HA ABA 1 HA ABU 1 16.948 -8.991 -10.341
5 HB2 ABA 1 HB2 ABU 1 19.758 -8.154 -10.734
6 HG1 ABA 1 HG1 ABU 1 20.488 -10.579 -10.837
7 HG3 ABA 1 HG3 ABU 1 18.824 -10.990 -11.252
8 HG2 ABA 1 HG2 ABU 1 19.773 -9.966 -12.328
9 H DBU 2 HN DHB 2 19.127 -6.988 -12.359
10 HB DBU 2 HB DHB 2 18.744 -3.246 -13.120
11 HG1 DBU 2 HG1 DHB 2 19.489 -5.966 -14.340
12 HG2 DBU 2 HG2 DHB 2 20.305 -4.440 -14.685
13 HG3 DBU 2 HG3 DHB 2 18.655 -4.706 -15.251
14 HA PRO 3 HA PRO 3 16.871 -2.136 -9.452
15 HB2 PRO 3 HB2 PRO 3 14.111 -2.979 -10.193
16 HB3 PRO 3 HB1 PRO 3 14.773 -1.352 -9.992
17 HG2 PRO 3 HG2 PRO 3 14.253 -2.334 -12.376
18 HG3 PRO 3 HG1 PRO 3 15.687 -1.328 -12.092
19 HD2 PRO 3 HD2 PRO 3 15.482 -4.281 -12.409
20 HD3 PRO 3 HD1 PRO 3 16.751 -3.174 -12.966
21 H VAL 4 HN VAL 4 15.309 -5.300 -9.892
22 HA VAL 4 HA VAL 4 14.349 -5.605 -7.250
23 HB VAL 4 HB VAL 4 15.097 -7.624 -9.370
24 HG11 VAL 4 HG11 VAL 4 15.267 -8.560 -7.047
25 HG12 VAL 4 HG12 VAL 4 13.986 -9.300 -8.007
26 HG13 VAL 4 HG13 VAL 4 13.587 -8.093 -6.783
27 HG21 VAL 4 HG21 VAL 4 13.131 -5.987 -9.652
28 HG22 VAL 4 HG22 VAL 4 12.368 -6.855 -8.319
29 HG23 VAL 4 HG23 VAL 4 12.760 -7.703 -9.814
30 H CYS 5 HN CYS 5 17.353 -6.721 -8.805
31 HA CYS 5 HA CYS 5 18.415 -7.922 -6.445
32 HB2 CYS 5 HB2 CYS 5 19.681 -7.034 -9.040
33 HB3 CYS 5 HB1 CYS 5 20.589 -7.822 -7.747
34 H ALA 6 HN ALA 6 18.842 -4.766 -7.996
35 HA ALA 6 HA ALA 6 20.848 -3.795 -6.259
36 HB1 ALA 6 HB1 ALA 6 20.414 -1.655 -7.200
37 HB2 ALA 6 HB2 ALA 6 18.760 -2.097 -7.623
38 HB3 ALA 6 HB3 ALA 6 20.115 -2.815 -8.494
39 H VAL 7 HN VAL 7 17.302 -3.635 -6.128
40 HA VAL 7 HA VAL 7 17.145 -1.954 -3.852
41 HB VAL 7 HB VAL 7 15.216 -3.925 -5.086
42 HG11 VAL 7 HG11 VAL 7 13.518 -2.998 -3.594
43 HG12 VAL 7 HG12 VAL 7 14.722 -1.957 -2.836
44 HG13 VAL 7 HG13 VAL 7 14.822 -3.706 -2.642
45 HG21 VAL 7 HG21 VAL 7 14.163 -1.979 -5.978
46 HG22 VAL 7 HG22 VAL 7 15.888 -1.722 -6.233
47 HG23 VAL 7 HG23 VAL 7 15.063 -0.909 -4.904
48 H ALA 8 HN ALA 8 17.102 -5.486 -4.247
49 HA ALA 8 HA ALA 8 16.679 -6.119 -1.527
50 HB1 ALA 8 HB1 ALA 8 17.237 -8.346 -2.112
51 HB2 ALA 8 HB2 ALA 8 18.252 -7.822 -3.456
52 HB3 ALA 8 HB3 ALA 8 16.499 -7.663 -3.562
53 H ALA 9 HN ALA 9 19.614 -5.564 -3.417
54 HA ALA 9 HA ALA 9 21.474 -6.355 -1.437
55 HB1 ALA 9 HB1 ALA 9 22.842 -6.002 -3.172
56 HB2 ALA 9 HB2 ALA 9 22.606 -4.264 -2.984
57 HB3 ALA 9 HB3 ALA 9 21.548 -5.189 -4.052
58 H DBU 10 HN DHB 10 19.849 -3.285 -2.110
59 HB DBU 10 HB DHB 10 20.768 -0.064 0.008
60 HG1 DBU 10 HG1 DHB 10 21.055 0.095 -2.638
61 HG2 DBU 10 HG2 DHB 10 22.051 -1.348 -2.451
62 HG3 DBU 10 HG3 DHB 10 22.532 0.161 -1.674
63 H ALA 11 HN ALA 11 17.990 -2.934 -0.309
64 HA ALA 11 HA ALA 11 17.375 -2.242 2.348
65 HB1 ALA 11 HB1 ALA 11 15.649 -4.218 1.978
66 HB2 ALA 11 HB2 ALA 11 16.197 -4.080 0.307
67 HB3 ALA 11 HB3 ALA 11 15.475 -2.689 1.117
68 H ALA 12 HN ALA 12 18.554 -5.285 0.940
69 HA ALA 12 HA ALA 12 18.513 -6.774 3.357
70 HB1 ALA 12 HB1 ALA 12 18.631 -7.833 1.135
71 HB2 ALA 12 HB2 ALA 12 19.966 -8.353 2.165
72 HB3 ALA 12 HB3 ALA 12 20.244 -7.156 0.901
73 H ALA 13 HN ALA 13 20.958 -4.749 1.804
74 HA ALA 13 HA ALA 13 23.128 -5.413 3.484
75 HB1 ALA 13 HB1 ALA 13 22.469 -3.008 1.796
76 HB2 ALA 13 HB2 ALA 13 23.681 -4.256 1.509
77 HB3 ALA 13 HB3 ALA 13 23.929 -3.060 2.783
78 H ALA 14 HN ALA 14 20.591 -2.959 3.741
79 HA ALA 14 HA ALA 14 21.623 -1.631 6.016
80 HB2 ALA 14 HB2 ALA 14 19.543 -1.174 4.322
81 HB3 ALA 14 HB3 ALA 14 18.688 -1.740 5.757
82 H DHA 15 HN DHA 15 19.540 -4.467 5.637
83 HB1 DHA 15 HB1 DHA 15 17.696 -6.223 6.660
84 HB2 DHA 15 HB2 DHA 15 18.125 -6.764 8.382
85 H ALA 16 HN ALA 16 21.847 -5.453 7.702
86 HA ALA 16 HA ALA 16 21.984 -5.344 10.623
87 HB1 ALA 16 HB1 ALA 16 24.359 -5.681 8.819
88 HB2 ALA 16 HB2 ALA 16 23.245 -7.024 9.085
89 HB3 ALA 16 HB3 ALA 16 24.100 -6.304 10.449
90 H ALA 17 HN ALA 17 23.467 -3.713 7.816
91 HA ALA 17 HA ALA 17 24.912 -1.788 9.272
92 HB1 ALA 17 HB1 ALA 17 24.874 -2.441 6.698
93 HB2 ALA 17 HB2 ALA 17 25.401 -0.844 7.228
94 HB3 ALA 17 HB3 ALA 17 23.764 -1.074 6.611
95 H CYS 18 HN CYS 18 21.692 -1.568 7.765
96 HA CYS 18 HA CYS 18 21.128 1.073 8.542
97 HB2 CYS 18 HB2 CYS 18 19.355 -1.286 7.905
98 HB3 CYS 18 HB1 CYS 18 18.713 0.313 8.280
99 H GLY 19 HN GLY 19 20.642 -2.018 10.180
100 HA2 GLY 19 HA2 GLY 19 19.281 -0.793 12.434
101 HA3 GLY 19 HA1 GLY 19 19.733 -2.489 12.279
102 H TRP 20 HN TRP 20 22.228 -2.806 12.248
103 HA TRP 20 HA TRP 20 23.254 -2.050 14.744
104 HB2 TRP 20 HB2 TRP 20 24.539 -3.158 12.254
105 HB3 TRP 20 HB1 TRP 20 25.482 -2.799 13.698
106 HD1 TRP 20 HD1 TRP 20 22.005 -4.465 13.257
107 HE1 TRP 20 HE1 TRP 20 22.033 -6.690 14.586
108 HE3 TRP 20 HE3 TRP 20 26.810 -4.458 14.992
109 HZ2 TRP 20 HZ2 TRP 20 23.794 -8.232 16.135
110 HZ3 TRP 20 HZ3 TRP 20 27.625 -6.334 16.396
111 HH2 TRP 20 HH2 TRP 20 26.104 -8.213 16.957
112 H VAL 21 HN VAL 21 23.727 -0.634 11.527
113 HA VAL 21 HA VAL 21 24.982 1.191 10.860
114 HB VAL 21 HB VAL 21 22.839 2.101 11.616
115 HG11 VAL 21 HG11 VAL 21 24.292 2.458 14.253
116 HG12 VAL 21 HG12 VAL 21 22.933 1.373 13.959
117 HG13 VAL 21 HG13 VAL 21 22.701 3.120 13.876
118 HG21 VAL 21 HG21 VAL 21 23.550 4.261 11.401
119 HG22 VAL 21 HG22 VAL 21 25.067 3.450 11.008
120 HG23 VAL 21 HG23 VAL 21 24.801 4.081 12.634
121 H GLY 22 HN GLY 22 26.505 -0.519 12.548
122 HA2 GLY 22 HA2 GLY 22 27.803 0.897 14.642
123 HA3 GLY 22 HA1 GLY 22 28.425 -0.534 13.822
124 H GLY 23 HN GLY 23 27.653 1.789 11.541
125 HA2 GLY 23 HA2 GLY 23 30.373 2.962 11.602
126 HA3 GLY 23 HA1 GLY 23 29.732 2.255 10.121
127 H GLY 24 HN GLY 24 27.585 3.909 12.277
128 HA2 GLY 24 HA2 GLY 24 26.485 5.932 12.150
129 HA3 GLY 24 HA1 GLY 24 27.812 6.518 11.151
130 H ILE 25 HN ILE 25 26.696 3.694 9.796
131 HA ILE 25 HA ILE 25 25.372 3.174 8.015
132 HB ILE 25 HB ILE 25 23.805 4.866 9.543
133 HG12 ILE 25 HG12 ILE 25 23.375 2.637 8.284
134 HG13 ILE 25 HG11 ILE 25 22.031 3.762 8.480
135 HG21 ILE 25 HG21 ILE 25 24.317 6.780 8.099
136 HG22 ILE 25 HG22 ILE 25 22.642 6.281 7.845
137 HG23 ILE 25 HG23 ILE 25 23.883 5.842 6.671
138 HD11 ILE 25 HD11 ILE 25 23.622 4.298 6.072
139 HD12 ILE 25 HD12 ILE 25 21.874 4.135 6.245
140 HD13 ILE 25 HD13 ILE 25 22.880 2.698 6.064
141 H PHE 26 HN PHE 26 26.128 6.640 8.147
142 HA PHE 26 HA PHE 26 26.211 7.029 5.355
143 HB2 PHE 26 HB2 PHE 26 26.756 8.585 7.745
144 HB3 PHE 26 HB1 PHE 26 27.966 8.900 6.501
145 HD1 PHE 26 HD1 PHE 26 24.287 8.751 7.116
146 HD2 PHE 26 HD2 PHE 26 27.447 10.198 4.592
147 HE1 PHE 26 HE1 PHE 26 22.657 10.149 5.874
148 HE2 PHE 26 HE2 PHE 26 25.819 11.594 3.351
149 HZ PHE 26 HZ PHE 26 23.426 11.570 3.990
150 H THR 27 HN THR 27 28.577 5.916 7.698
151 HA THR 27 HA THR 27 30.899 6.254 6.125
152 HB THR 27 HB THR 27 30.398 4.070 8.159
153 HG1 THR 27 HG1 THR 27 30.051 6.529 8.599
154 HG21 THR 27 HG21 THR 27 32.497 3.579 7.410
155 HG22 THR 27 HG22 THR 27 32.954 4.897 8.488
156 HG23 THR 27 HG23 THR 27 32.755 5.198 6.761
157 H GLY 28 HN GLY 28 28.770 3.424 6.572
158 HA2 GLY 28 HA2 GLY 28 30.148 1.781 4.691
159 HA3 GLY 28 HA1 GLY 28 28.533 1.490 5.334
160 H VAL 29 HN VAL 29 27.186 3.756 4.495
161 HA VAL 29 HA VAL 29 26.578 3.125 1.804
162 HB VAL 29 HB VAL 29 25.816 5.451 3.577
163 HG11 VAL 29 HG11 VAL 29 25.723 5.327 0.758
164 HG12 VAL 29 HG12 VAL 29 24.928 6.501 1.806
165 HG13 VAL 29 HG13 VAL 29 24.076 5.036 1.319
166 HG21 VAL 29 HG21 VAL 29 24.047 4.162 4.194
167 HG22 VAL 29 HG22 VAL 29 25.014 2.815 3.596
168 HG23 VAL 29 HG23 VAL 29 23.801 3.559 2.555
169 H DBU 30 HN DHB 30 28.399 5.779 3.314
170 HB DBU 30 HB DHB 30 30.045 8.572 1.048
171 HG1 DBU 30 HG1 DHB 30 28.018 8.813 3.086
172 HG2 DBU 30 HG2 DHB 30 27.163 8.440 1.589
173 HG3 DBU 30 HG3 DHB 30 28.191 9.870 1.684
174 H VAL 31 HN VAL 31 30.662 4.805 2.889
175 HA VAL 31 HA VAL 31 33.086 4.886 1.434
176 HB VAL 31 HB VAL 31 31.835 2.866 3.288
177 HG11 VAL 31 HG11 VAL 31 33.193 1.695 1.555
178 HG12 VAL 31 HG12 VAL 31 33.904 1.583 3.164
179 HG13 VAL 31 HG13 VAL 31 34.568 2.713 1.983
180 HG21 VAL 31 HG21 VAL 31 33.128 3.866 4.883
181 HG22 VAL 31 HG22 VAL 31 33.137 5.226 3.759
182 HG23 VAL 31 HG23 VAL 31 34.486 4.088 3.779
183 H VAL 32 HN VAL 32 30.232 2.768 1.215
184 HA VAL 32 HA VAL 32 31.231 1.057 -0.782
185 HB VAL 32 HB VAL 32 29.044 0.981 0.727
186 HG11 VAL 32 HG11 VAL 32 27.960 2.905 -0.315
187 HG12 VAL 32 HG12 VAL 32 27.045 1.445 -0.689
188 HG13 VAL 32 HG13 VAL 32 28.105 2.160 -1.905
189 HG21 VAL 32 HG21 VAL 32 28.331 -0.255 -1.783
190 HG22 VAL 32 HG22 VAL 32 28.901 -1.016 -0.297
191 HG23 VAL 32 HG23 VAL 32 30.061 -0.440 -1.493
192 H VAL 33 HN VAL 33 29.338 4.054 -0.990
193 HA VAL 33 HA VAL 33 29.043 4.056 -3.807
194 HB VAL 33 HB VAL 33 28.567 6.487 -3.497
195 HG11 VAL 33 HG11 VAL 33 27.260 4.318 -1.899
196 HG12 VAL 33 HG12 VAL 33 26.620 5.253 -3.251
197 HG13 VAL 33 HG13 VAL 33 26.725 5.980 -1.647
198 HG21 VAL 33 HG21 VAL 33 28.513 7.331 -1.155
199 HG22 VAL 33 HG22 VAL 33 30.150 6.938 -1.686
200 HG23 VAL 33 HG23 VAL 33 29.278 5.832 -0.624
201 H DAL 34 HN DAL 34 31.450 5.507 -1.650
202 HA DAL 34 HA DAL 34 33.616 6.146 -2.083
203 HB1 DAL 34 HB2 DAL 34 32.853 7.289 -4.717
204 HB2 DAL 34 HB3 DAL 34 31.968 7.881 -3.310
205 H LEU 35 HN LEU 35 33.355 3.547 -2.584
206 HA LEU 35 HA LEU 35 35.437 2.885 -4.252
207 HB2 LEU 35 HB2 LEU 35 34.314 1.379 -2.586
208 HB3 LEU 35 HB1 LEU 35 33.008 1.155 -3.749
209 HG LEU 35 HG LEU 35 34.627 0.282 -5.399
210 HD11 LEU 35 HD11 LEU 35 36.827 -0.222 -3.622
211 HD12 LEU 35 HD12 LEU 35 36.478 1.506 -3.621
212 HD13 LEU 35 HD13 LEU 35 36.827 0.680 -5.140
213 HD21 LEU 35 HD21 LEU 35 34.604 -1.011 -2.657
214 HD22 LEU 35 HD22 LEU 35 35.268 -1.808 -4.084
215 HD23 LEU 35 HD23 LEU 35 33.558 -1.380 -4.027
216 H LYS 36 HN LYS 36 32.390 4.053 -5.169
217 HA LYS 36 HA LYS 36 32.560 2.844 -7.844
218 HB2 LYS 36 HB2 LYS 36 30.350 4.467 -6.572
219 HB3 LYS 36 HB1 LYS 36 30.280 3.683 -8.150
220 HG2 LYS 36 HG2 LYS 36 30.706 2.258 -5.506
221 HG3 LYS 36 HG1 LYS 36 29.188 2.305 -6.406
222 HD2 LYS 36 HD2 LYS 36 30.282 1.204 -8.321
223 HD3 LYS 36 HD1 LYS 36 31.802 1.158 -7.428
224 HE2 LYS 36 HE2 LYS 36 30.750 -0.238 -5.692
225 HE3 LYS 36 HE1 LYS 36 29.222 -0.185 -6.569
226 HZ1 LYS 36 HZ1 LYS 36 30.707 -1.056 -8.508
227 HZ2 LYS 36 HZ2 LYS 36 30.102 -2.130 -7.339
228 HZ3 LYS 36 HZ3 LYS 36 31.709 -1.586 -7.246
229 H HIS 37 HN HIS 37 32.003 6.034 -6.347
230 HA HIS 37 HA HIS 37 32.907 7.311 -8.844
231 HB2 HIS 37 HB2 HIS 37 31.637 8.642 -6.447
232 HB3 HIS 37 HB1 HIS 37 31.809 9.290 -8.079
233 HD2 HIS 37 HD2 HIS 37 29.583 6.645 -6.170
234 HE1 HIS 37 HE1 HIS 37 27.936 7.247 -10.012
235 HE2 HIS 37 HE2 HIS 37 27.579 6.127 -7.761
236 H CYS 38 HN CYS 38 33.985 6.568 -5.712
237 HA CYS 38 HA CYS 38 35.878 8.769 -5.541
238 HB2 CYS 38 HB2 CYS 38 35.381 6.393 -3.725
239 HB3 CYS 38 HB1 CYS 38 36.542 7.683 -3.408
Start of MODEL 3
1 H1 ABA 1 HT1 ABU 1 3.258 -13.566 -6.432
2 H2 ABA 1 HT2 ABU 1 3.694 -15.059 -5.748
3 H3 ABA 1 HT3 ABU 1 4.254 -14.633 -7.295
4 HA ABA 1 HA ABU 1 5.551 -12.823 -6.361
5 HB2 ABA 1 HB2 ABU 1 5.226 -13.809 -3.593
6 HG1 ABA 1 HG1 ABU 1 3.133 -12.560 -3.216
7 HG3 ABA 1 HG3 ABU 1 3.019 -12.217 -4.943
8 HG2 ABA 1 HG2 ABU 1 2.870 -13.876 -4.361
9 H DBU 2 HN DHB 2 5.424 -15.560 -4.080
10 HB DBU 2 HB DHB 2 7.826 -18.593 -4.120
11 HG1 DBU 2 HG1 DHB 2 5.282 -18.614 -3.115
12 HG2 DBU 2 HG2 DHB 2 5.688 -19.644 -4.489
13 HG3 DBU 2 HG3 DHB 2 4.899 -18.089 -4.755
14 HA PRO 3 HA PRO 3 11.369 -16.344 -4.843
15 HB2 PRO 3 HB2 PRO 3 11.042 -16.139 -7.804
16 HB3 PRO 3 HB1 PRO 3 12.230 -17.051 -6.870
17 HG2 PRO 3 HG2 PRO 3 10.248 -18.282 -8.051
18 HG3 PRO 3 HG1 PRO 3 10.747 -18.757 -6.414
19 HD2 PRO 3 HD2 PRO 3 8.410 -17.106 -7.267
20 HD3 PRO 3 HD1 PRO 3 8.504 -18.344 -6.004
21 H VAL 4 HN VAL 4 9.233 -14.540 -7.047
22 HA VAL 4 HA VAL 4 10.852 -12.239 -7.298
23 HB VAL 4 HB VAL 4 7.863 -12.621 -7.563
24 HG11 VAL 4 HG11 VAL 4 9.577 -10.207 -7.699
25 HG12 VAL 4 HG12 VAL 4 7.849 -10.344 -7.377
26 HG13 VAL 4 HG13 VAL 4 8.446 -10.412 -9.035
27 HG21 VAL 4 HG21 VAL 4 8.265 -13.038 -9.798
28 HG22 VAL 4 HG22 VAL 4 9.772 -13.661 -9.127
29 HG23 VAL 4 HG23 VAL 4 9.721 -12.044 -9.829
30 H CYS 5 HN CYS 5 8.147 -12.990 -5.108
31 HA CYS 5 HA CYS 5 8.269 -10.494 -3.728
32 HB2 CYS 5 HB2 CYS 5 7.036 -13.158 -3.006
33 HB3 CYS 5 HB1 CYS 5 6.868 -11.705 -2.018
34 H ALA 6 HN ALA 6 9.569 -13.729 -3.080
35 HA ALA 6 HA ALA 6 10.683 -13.131 -0.545
36 HB1 ALA 6 HB1 ALA 6 12.132 -15.155 -1.042
37 HB2 ALA 6 HB2 ALA 6 11.325 -15.240 -2.607
38 HB3 ALA 6 HB3 ALA 6 10.391 -15.425 -1.122
39 H VAL 7 HN VAL 7 12.034 -13.037 -3.829
40 HA VAL 7 HA VAL 7 14.680 -12.376 -3.059
41 HB VAL 7 HB VAL 7 13.653 -13.144 -5.374
42 HG11 VAL 7 HG11 VAL 7 12.290 -11.177 -5.768
43 HG12 VAL 7 HG12 VAL 7 13.601 -11.191 -6.944
44 HG13 VAL 7 HG13 VAL 7 13.681 -10.119 -5.546
45 HG21 VAL 7 HG21 VAL 7 16.104 -12.592 -4.582
46 HG22 VAL 7 HG22 VAL 7 15.879 -11.133 -5.545
47 HG23 VAL 7 HG23 VAL 7 15.753 -12.719 -6.305
48 H ALA 8 HN ALA 8 11.882 -10.403 -3.957
49 HA ALA 8 HA ALA 8 13.186 -7.894 -3.876
50 HB1 ALA 8 HB1 ALA 8 10.900 -8.427 -4.864
51 HB2 ALA 8 HB2 ALA 8 11.009 -6.935 -3.930
52 HB3 ALA 8 HB3 ALA 8 10.279 -8.372 -3.214
53 H ALA 9 HN ALA 9 11.571 -9.828 -1.399
54 HA ALA 9 HA ALA 9 11.554 -7.878 0.646
55 HB1 ALA 9 HB1 ALA 9 10.190 -9.759 1.020
56 HB2 ALA 9 HB2 ALA 9 11.523 -9.970 2.156
57 HB3 ALA 9 HB3 ALA 9 11.493 -10.888 0.651
58 H DBU 10 HN DHB 10 13.980 -10.251 -0.372
59 HB DBU 10 HB DHB 10 17.398 -10.679 1.514
60 HG1 DBU 10 HG1 DHB 10 16.182 -12.894 0.937
61 HG2 DBU 10 HG2 DHB 10 14.682 -12.114 1.437
62 HG3 DBU 10 HG3 DHB 10 15.959 -12.410 2.617
63 H ALA 11 HN ALA 11 15.757 -8.487 -1.462
64 HA ALA 11 HA ALA 11 17.938 -6.760 -0.978
65 HB1 ALA 11 HB1 ALA 11 15.705 -6.124 -2.896
66 HB2 ALA 11 HB2 ALA 11 16.847 -7.428 -3.221
67 HB3 ALA 11 HB3 ALA 11 17.426 -5.771 -3.050
68 H ALA 12 HN ALA 12 14.455 -6.381 -0.536
69 HA ALA 12 HA ALA 12 14.447 -3.608 0.009
70 HB1 ALA 12 HB1 ALA 12 12.517 -5.511 -0.277
71 HB2 ALA 12 HB2 ALA 12 12.226 -3.894 0.363
72 HB3 ALA 12 HB3 ALA 12 12.477 -5.248 1.466
73 H ALA 13 HN ALA 13 14.924 -6.446 2.060
74 HA ALA 13 HA ALA 13 14.823 -5.156 4.562
75 HB1 ALA 13 HB1 ALA 13 14.753 -7.539 4.524
76 HB2 ALA 13 HB2 ALA 13 16.276 -7.109 5.301
77 HB3 ALA 13 HB3 ALA 13 16.263 -7.637 3.618
78 H ALA 14 HN ALA 14 17.587 -5.873 2.429
79 HA ALA 14 HA ALA 14 19.567 -4.754 4.098
80 HB2 ALA 14 HB2 ALA 14 20.463 -6.076 2.418
81 HB3 ALA 14 HB3 ALA 14 19.400 -5.405 1.180
82 H DHA 15 HN DHA 15 17.726 -3.363 1.376
83 HB1 DHA 15 HB1 DHA 15 17.393 -1.393 -0.494
84 HB2 DHA 15 HB2 DHA 15 17.473 0.296 0.267
85 H ALA 16 HN ALA 16 17.093 -1.640 3.903
86 HA ALA 16 HA ALA 16 17.911 0.960 4.900
87 HB1 ALA 16 HB1 ALA 16 16.921 -1.060 6.812
88 HB2 ALA 16 HB2 ALA 16 15.810 -0.662 5.501
89 HB3 ALA 16 HB3 ALA 16 16.409 0.610 6.567
90 H ALA 17 HN ALA 17 18.599 -2.453 5.705
91 HA ALA 17 HA ALA 17 20.719 -1.728 7.520
92 HB1 ALA 17 HB1 ALA 17 19.675 -4.320 6.409
93 HB2 ALA 17 HB2 ALA 17 19.667 -3.747 8.077
94 HB3 ALA 17 HB3 ALA 17 21.177 -4.273 7.333
95 H CYS 18 HN CYS 18 20.937 -3.903 4.709
96 HA CYS 18 HA CYS 18 23.694 -3.582 4.338
97 HB2 CYS 18 HB2 CYS 18 23.412 -4.758 2.317
98 HB3 CYS 18 HB1 CYS 18 22.127 -5.359 3.359
99 H GLY 19 HN GLY 19 20.969 -2.001 2.747
100 HA2 GLY 19 HA2 GLY 19 22.358 -0.427 0.910
101 HA3 GLY 19 HA1 GLY 19 20.806 0.008 1.620
102 H TRP 20 HN TRP 20 21.521 0.268 4.312
103 HA TRP 20 HA TRP 20 22.621 2.887 4.347
104 HB2 TRP 20 HB2 TRP 20 21.917 0.872 6.462
105 HB3 TRP 20 HB1 TRP 20 22.757 2.358 6.895
106 HD1 TRP 20 HD1 TRP 20 20.099 2.038 4.157
107 HE1 TRP 20 HE1 TRP 20 18.104 3.570 4.780
108 HE3 TRP 20 HE3 TRP 20 21.555 3.623 8.791
109 HZ2 TRP 20 HZ2 TRP 20 17.245 5.211 6.901
110 HZ3 TRP 20 HZ3 TRP 20 20.115 5.177 10.084
111 HH2 TRP 20 HH2 TRP 20 17.965 5.960 9.125
112 H VAL 21 HN VAL 21 23.930 -0.267 5.304
113 HA VAL 21 HA VAL 21 26.510 0.841 5.955
114 HB VAL 21 HB VAL 21 26.047 -1.062 7.218
115 HG11 VAL 21 HG11 VAL 21 24.538 -1.836 4.849
116 HG12 VAL 21 HG12 VAL 21 24.323 -2.341 6.524
117 HG13 VAL 21 HG13 VAL 21 25.474 -3.184 5.490
118 HG21 VAL 21 HG21 VAL 21 28.252 -1.114 5.828
119 HG22 VAL 21 HG22 VAL 21 27.460 -2.409 4.930
120 HG23 VAL 21 HG23 VAL 21 27.746 -2.584 6.661
121 H GLY 22 HN GLY 22 25.955 -1.897 3.773
122 HA2 GLY 22 HA2 GLY 22 27.108 -2.499 1.859
123 HA3 GLY 22 HA1 GLY 22 26.570 -0.913 1.317
124 H GLY 23 HN GLY 23 28.623 -0.855 4.049
125 HA2 GLY 23 HA2 GLY 23 30.850 -0.322 4.350
126 HA3 GLY 23 HA1 GLY 23 31.148 -0.862 2.700
127 H GLY 24 HN GLY 24 28.673 1.236 2.434
128 HA2 GLY 24 HA2 GLY 24 30.188 3.260 1.169
129 HA3 GLY 24 HA1 GLY 24 28.482 3.366 1.590
130 H ILE 25 HN ILE 25 28.857 2.952 4.423
131 HA ILE 25 HA ILE 25 29.160 5.597 5.287
132 HB ILE 25 HB ILE 25 27.926 4.095 6.644
133 HG12 ILE 25 HG12 ILE 25 28.871 4.468 8.786
134 HG13 ILE 25 HG11 ILE 25 30.518 4.396 8.157
135 HG21 ILE 25 HG21 ILE 25 30.300 2.412 7.305
136 HG22 ILE 25 HG22 ILE 25 29.471 2.123 5.777
137 HG23 ILE 25 HG23 ILE 25 28.591 1.983 7.297
138 HD11 ILE 25 HD11 ILE 25 30.425 6.532 7.282
139 HD12 ILE 25 HD12 ILE 25 29.362 6.732 8.674
140 HD13 ILE 25 HD13 ILE 25 28.676 6.488 7.068
141 H PHE 26 HN PHE 26 31.352 2.851 5.779
142 HA PHE 26 HA PHE 26 33.450 4.346 6.933
143 HB2 PHE 26 HB2 PHE 26 33.313 1.891 7.095
144 HB3 PHE 26 HB1 PHE 26 33.617 1.758 5.363
145 HD1 PHE 26 HD1 PHE 26 35.071 3.085 8.537
146 HD2 PHE 26 HD2 PHE 26 35.822 1.763 4.521
147 HE1 PHE 26 HE1 PHE 26 37.512 3.198 8.957
148 HE2 PHE 26 HE2 PHE 26 38.263 1.875 4.940
149 HZ PHE 26 HZ PHE 26 39.109 2.593 7.158
150 H THR 27 HN THR 27 32.850 3.349 3.575
151 HA THR 27 HA THR 27 35.215 4.382 2.452
152 HB THR 27 HB THR 27 32.511 4.248 1.101
153 HG1 THR 27 HG1 THR 27 33.687 2.313 2.292
154 HG21 THR 27 HG21 THR 27 35.336 4.565 0.239
155 HG22 THR 27 HG22 THR 27 33.858 5.182 -0.497
156 HG23 THR 27 HG23 THR 27 34.329 3.501 -0.742
157 H GLY 28 HN GLY 28 31.992 5.853 2.832
158 HA2 GLY 28 HA2 GLY 28 32.652 8.339 1.650
159 HA3 GLY 28 HA1 GLY 28 31.308 8.053 2.751
160 H VAL 29 HN VAL 29 32.789 7.141 4.980
161 HA VAL 29 HA VAL 29 33.460 9.580 6.229
162 HB VAL 29 HB VAL 29 33.887 6.686 6.968
163 HG11 VAL 29 HG11 VAL 29 34.890 7.269 8.962
164 HG12 VAL 29 HG12 VAL 29 34.217 8.899 8.950
165 HG13 VAL 29 HG13 VAL 29 35.579 8.500 7.907
166 HG21 VAL 29 HG21 VAL 29 31.999 6.971 8.321
167 HG22 VAL 29 HG22 VAL 29 31.592 7.962 6.921
168 HG23 VAL 29 HG23 VAL 29 32.194 8.722 8.394
169 H DBU 30 HN DHB 30 35.476 6.921 4.961
170 HB DBU 30 HB DHB 30 39.422 7.283 5.119
171 HG1 DBU 30 HG1 DHB 30 39.249 6.051 7.119
172 HG2 DBU 30 HG2 DHB 30 37.767 5.365 6.450
173 HG3 DBU 30 HG3 DHB 30 37.694 6.805 7.469
174 H VAL 31 HN VAL 31 35.849 8.032 2.840
175 HA VAL 31 HA VAL 31 37.698 9.149 1.002
176 HB VAL 31 HB VAL 31 34.755 8.675 1.074
177 HG11 VAL 31 HG11 VAL 31 36.131 10.440 -0.975
178 HG12 VAL 31 HG12 VAL 31 34.969 10.996 0.228
179 HG13 VAL 31 HG13 VAL 31 34.458 9.887 -1.044
180 HG21 VAL 31 HG21 VAL 31 35.272 7.124 -0.523
181 HG22 VAL 31 HG22 VAL 31 36.900 7.288 0.132
182 HG23 VAL 31 HG23 VAL 31 36.438 8.183 -1.316
183 H VAL 32 HN VAL 32 35.113 10.587 2.992
184 HA VAL 32 HA VAL 32 35.410 13.231 2.078
185 HB VAL 32 HB VAL 32 34.362 12.084 4.665
186 HG11 VAL 32 HG11 VAL 32 34.901 14.866 3.839
187 HG12 VAL 32 HG12 VAL 32 34.684 14.192 5.453
188 HG13 VAL 32 HG13 VAL 32 33.277 14.577 4.462
189 HG21 VAL 32 HG21 VAL 32 32.202 12.518 3.678
190 HG22 VAL 32 HG22 VAL 32 33.159 11.649 2.478
191 HG23 VAL 32 HG23 VAL 32 32.933 13.392 2.333
192 H VAL 33 HN VAL 33 36.789 11.586 4.918
193 HA VAL 33 HA VAL 33 38.217 13.786 5.942
194 HB VAL 33 HB VAL 33 38.027 11.940 7.386
195 HG11 VAL 33 HG11 VAL 33 39.471 9.906 5.900
196 HG12 VAL 33 HG12 VAL 33 38.042 10.442 5.029
197 HG13 VAL 33 HG13 VAL 33 37.887 9.807 6.662
198 HG21 VAL 33 HG21 VAL 33 40.780 11.374 6.376
199 HG22 VAL 33 HG22 VAL 33 40.229 11.568 8.042
200 HG23 VAL 33 HG23 VAL 33 40.422 12.981 7.002
201 H DAL 34 HN DAL 34 39.409 11.062 4.005
202 HA DAL 34 HA DAL 34 41.120 10.954 2.470
203 HB1 DAL 34 HB2 DAL 34 42.635 13.110 3.827
204 HB2 DAL 34 HB3 DAL 34 42.246 11.697 4.776
205 H LEU 35 HN LEU 35 39.014 12.437 1.646
206 HA LEU 35 HA LEU 35 39.969 13.939 -0.456
207 HB2 LEU 35 HB2 LEU 35 37.629 13.080 -0.187
208 HB3 LEU 35 HB1 LEU 35 37.331 14.383 0.963
209 HG LEU 35 HG LEU 35 37.911 16.041 -0.779
210 HD11 LEU 35 HD11 LEU 35 39.056 15.398 -2.608
211 HD12 LEU 35 HD12 LEU 35 37.740 14.321 -3.074
212 HD13 LEU 35 HD13 LEU 35 39.025 13.737 -2.016
213 HD21 LEU 35 HD21 LEU 35 35.554 14.980 -0.468
214 HD22 LEU 35 HD22 LEU 35 35.903 14.126 -1.971
215 HD23 LEU 35 HD23 LEU 35 35.859 15.889 -1.947
216 H LYS 36 HN LYS 36 39.934 14.748 2.860
217 HA LYS 36 HA LYS 36 40.108 17.635 2.283
218 HB2 LYS 36 HB2 LYS 36 39.797 16.134 4.888
219 HB3 LYS 36 HB1 LYS 36 39.928 17.889 4.750
220 HG2 LYS 36 HG2 LYS 36 37.809 16.223 3.366
221 HG3 LYS 36 HG1 LYS 36 37.557 17.098 4.877
222 HD2 LYS 36 HD2 LYS 36 38.136 19.215 3.747
223 HD3 LYS 36 HD1 LYS 36 38.375 18.339 2.234
224 HE2 LYS 36 HE2 LYS 36 36.029 17.610 2.264
225 HE3 LYS 36 HE1 LYS 36 35.779 18.448 3.796
226 HZ1 LYS 36 HZ1 LYS 36 35.256 20.213 2.583
227 HZ2 LYS 36 HZ2 LYS 36 35.804 19.496 1.144
228 HZ3 LYS 36 HZ3 LYS 36 36.891 20.326 2.151
229 H HIS 37 HN HIS 37 41.835 15.133 4.159
230 HA HIS 37 HA HIS 37 44.214 16.869 4.204
231 HB2 HIS 37 HB2 HIS 37 43.609 14.306 5.697
232 HB3 HIS 37 HB1 HIS 37 45.054 15.298 5.906
233 HD2 HIS 37 HD2 HIS 37 41.270 15.344 6.915
234 HE1 HIS 37 HE1 HIS 37 43.085 18.785 8.561
235 HE2 HIS 37 HE2 HIS 37 40.968 17.383 8.522
236 H CYS 38 HN CYS 38 42.970 14.143 2.587
237 HA CYS 38 HA CYS 38 45.573 13.065 1.867
238 HB2 CYS 38 HB2 CYS 38 42.775 12.218 1.075
239 HB3 CYS 38 HB1 CYS 38 44.254 11.364 0.665
Start of MODEL 4
1 H1 ABA 1 HT1 ABU 1 6.350 -13.447 -7.706
2 H2 ABA 1 HT2 ABU 1 7.510 -14.602 -8.158
3 H3 ABA 1 HT3 ABU 1 7.264 -13.221 -9.117
4 HA ABA 1 HA ABU 1 7.943 -11.882 -7.088
5 HB2 ABA 1 HB2 ABU 1 9.545 -14.215 -6.229
6 HG1 ABA 1 HG1 ABU 1 7.500 -14.848 -4.712
7 HG3 ABA 1 HG3 ABU 1 6.546 -14.123 -6.006
8 HG2 ABA 1 HG2 ABU 1 7.591 -15.502 -6.346
9 H DBU 2 HN DHB 2 9.954 -14.671 -8.079
10 HB DBU 2 HB DHB 2 12.830 -14.586 -10.642
11 HG1 DBU 2 HG1 DHB 2 10.566 -15.878 -11.358
12 HG2 DBU 2 HG2 DHB 2 10.535 -16.321 -9.651
13 HG3 DBU 2 HG3 DHB 2 11.890 -16.816 -10.666
14 HA PRO 3 HA PRO 3 14.290 -10.709 -9.620
15 HB2 PRO 3 HB2 PRO 3 12.310 -9.124 -11.181
16 HB3 PRO 3 HB1 PRO 3 14.032 -9.367 -11.472
17 HG2 PRO 3 HG2 PRO 3 12.215 -10.565 -12.955
18 HG3 PRO 3 HG1 PRO 3 13.711 -11.397 -12.483
19 HD2 PRO 3 HD2 PRO 3 10.954 -11.718 -11.398
20 HD3 PRO 3 HD1 PRO 3 12.212 -12.937 -11.648
21 H VAL 4 HN VAL 4 10.818 -9.990 -9.279
22 HA VAL 4 HA VAL 4 11.091 -7.635 -7.740
23 HB VAL 4 HB VAL 4 8.859 -9.671 -7.897
24 HG11 VAL 4 HG11 VAL 4 7.899 -8.623 -6.154
25 HG12 VAL 4 HG12 VAL 4 7.932 -7.117 -7.069
26 HG13 VAL 4 HG13 VAL 4 9.283 -7.538 -6.017
27 HG21 VAL 4 HG21 VAL 4 7.855 -8.140 -9.434
28 HG22 VAL 4 HG22 VAL 4 9.537 -8.284 -9.942
29 HG23 VAL 4 HG23 VAL 4 9.009 -6.868 -9.032
30 H CYS 5 HN CYS 5 10.598 -11.027 -6.768
31 HA CYS 5 HA CYS 5 10.671 -10.487 -3.967
32 HB2 CYS 5 HB2 CYS 5 11.037 -13.026 -5.564
33 HB3 CYS 5 HB1 CYS 5 11.031 -12.981 -3.800
34 H ALA 6 HN ALA 6 13.083 -11.573 -6.323
35 HA ALA 6 HA ALA 6 15.191 -12.059 -4.524
36 HB1 ALA 6 HB1 ALA 6 16.603 -11.432 -6.643
37 HB2 ALA 6 HB2 ALA 6 15.032 -11.403 -7.446
38 HB3 ALA 6 HB3 ALA 6 15.594 -12.879 -6.663
39 H VAL 7 HN VAL 7 14.264 -9.106 -6.287
40 HA VAL 7 HA VAL 7 16.415 -7.513 -5.376
41 HB VAL 7 HB VAL 7 13.662 -6.822 -6.414
42 HG11 VAL 7 HG11 VAL 7 15.972 -4.911 -6.018
43 HG12 VAL 7 HG12 VAL 7 14.678 -5.092 -4.834
44 HG13 VAL 7 HG13 VAL 7 14.309 -4.526 -6.462
45 HG21 VAL 7 HG21 VAL 7 16.436 -6.566 -7.623
46 HG22 VAL 7 HG22 VAL 7 14.908 -6.214 -8.431
47 HG23 VAL 7 HG23 VAL 7 15.305 -7.871 -7.979
48 H ALA 8 HN ALA 8 13.106 -7.984 -4.173
49 HA ALA 8 HA ALA 8 13.235 -6.094 -2.079
50 HB1 ALA 8 HB1 ALA 8 11.573 -8.598 -2.418
51 HB2 ALA 8 HB2 ALA 8 11.094 -6.937 -2.770
52 HB3 ALA 8 HB3 ALA 8 11.348 -7.446 -1.100
53 H ALA 9 HN ALA 9 14.150 -9.496 -2.278
54 HA ALA 9 HA ALA 9 14.588 -9.937 0.480
55 HB1 ALA 9 HB1 ALA 9 16.443 -11.477 -1.029
56 HB2 ALA 9 HB2 ALA 9 14.952 -11.376 -1.964
57 HB3 ALA 9 HB3 ALA 9 14.919 -12.004 -0.316
58 H DBU 10 HN DHB 10 16.689 -8.717 -2.108
59 HB DBU 10 HB DHB 10 20.464 -7.816 -1.321
60 HG1 DBU 10 HG1 DHB 10 19.428 -10.568 -1.639
61 HG2 DBU 10 HG2 DHB 10 20.953 -9.924 -2.246
62 HG3 DBU 10 HG3 DHB 10 19.478 -9.736 -3.193
63 H ALA 11 HN ALA 11 16.749 -6.178 -1.719
64 HA ALA 11 HA ALA 11 17.904 -3.993 -0.352
65 HB1 ALA 11 HB1 ALA 11 14.982 -4.236 -1.071
66 HB2 ALA 11 HB2 ALA 11 16.230 -3.927 -2.278
67 HB3 ALA 11 HB3 ALA 11 15.960 -2.773 -0.971
68 H ALA 12 HN ALA 12 15.423 -6.333 0.559
69 HA ALA 12 HA ALA 12 14.512 -5.059 2.903
70 HB1 ALA 12 HB1 ALA 12 14.652 -8.007 2.223
71 HB2 ALA 12 HB2 ALA 12 13.297 -6.923 1.907
72 HB3 ALA 12 HB3 ALA 12 13.737 -7.324 3.567
73 H ALA 13 HN ALA 13 17.170 -7.334 2.333
74 HA ALA 13 HA ALA 13 17.899 -7.776 5.013
75 HB1 ALA 13 HB1 ALA 13 20.257 -7.759 3.441
76 HB2 ALA 13 HB2 ALA 13 18.960 -8.361 2.411
77 HB3 ALA 13 HB3 ALA 13 19.307 -9.155 3.946
78 H ALA 14 HN ALA 14 19.100 -5.375 2.666
79 HA ALA 14 HA ALA 14 20.892 -4.108 4.472
80 HB2 ALA 14 HB2 ALA 14 20.523 -3.966 1.801
81 HB3 ALA 14 HB3 ALA 14 19.706 -2.483 2.298
82 H DHA 15 HN DHA 15 17.506 -3.525 3.597
83 HB1 DHA 15 HB1 DHA 15 15.371 -1.782 3.492
84 HB2 DHA 15 HB2 DHA 15 15.072 -0.962 5.129
85 H ALA 16 HN ALA 16 17.673 -3.802 6.689
86 HA ALA 16 HA ALA 16 17.724 -1.918 8.926
87 HB1 ALA 16 HB1 ALA 16 17.967 -4.916 8.719
88 HB2 ALA 16 HB2 ALA 16 16.701 -3.971 9.504
89 HB3 ALA 16 HB3 ALA 16 18.313 -4.050 10.216
90 H ALA 17 HN ALA 17 19.927 -4.374 7.549
91 HA ALA 17 HA ALA 17 22.211 -3.534 8.972
92 HB1 ALA 17 HB1 ALA 17 22.515 -4.716 6.251
93 HB2 ALA 17 HB2 ALA 17 21.707 -5.678 7.489
94 HB3 ALA 17 HB3 ALA 17 23.356 -5.110 7.750
95 H CYS 18 HN CYS 18 21.142 -2.773 5.665
96 HA CYS 18 HA CYS 18 23.290 -1.126 4.950
97 HB2 CYS 18 HB2 CYS 18 20.410 -1.170 4.052
98 HB3 CYS 18 HB1 CYS 18 21.628 -0.117 3.336
99 H GLY 19 HN GLY 19 20.330 -0.454 6.719
100 HA2 GLY 19 HA2 GLY 19 20.764 2.402 6.784
101 HA3 GLY 19 HA1 GLY 19 19.520 1.514 7.655
102 H TRP 20 HN TRP 20 20.974 -0.253 9.148
103 HA TRP 20 HA TRP 20 21.836 1.344 11.315
104 HB2 TRP 20 HB2 TRP 20 22.179 -1.611 10.760
105 HB3 TRP 20 HB1 TRP 20 22.589 -0.840 12.291
106 HD1 TRP 20 HD1 TRP 20 19.909 -2.717 10.882
107 HE1 TRP 20 HE1 TRP 20 17.634 -2.164 12.007
108 HE3 TRP 20 HE3 TRP 20 21.086 1.644 13.260
109 HZ2 TRP 20 HZ2 TRP 20 16.482 -0.179 13.656
110 HZ3 TRP 20 HZ3 TRP 20 19.378 2.845 14.599
111 HH2 TRP 20 HH2 TRP 20 17.081 1.916 14.783
112 H VAL 21 HN VAL 21 23.663 -0.721 9.052
113 HA VAL 21 HA VAL 21 26.187 -0.672 9.826
114 HB VAL 21 HB VAL 21 26.831 0.002 7.420
115 HG11 VAL 21 HG11 VAL 21 26.820 -2.256 7.406
116 HG12 VAL 21 HG12 VAL 21 25.185 -2.143 6.755
117 HG13 VAL 21 HG13 VAL 21 25.432 -2.322 8.492
118 HG21 VAL 21 HG21 VAL 21 24.293 -0.499 6.299
119 HG22 VAL 21 HG22 VAL 21 25.214 1.000 6.212
120 HG23 VAL 21 HG23 VAL 21 24.048 0.753 7.511
121 H GLY 22 HN GLY 22 26.625 0.959 11.343
122 HA2 GLY 22 HA2 GLY 22 26.639 3.743 10.464
123 HA3 GLY 22 HA1 GLY 22 27.005 3.156 12.083
124 H GLY 23 HN GLY 23 28.828 1.082 10.851
125 HA2 GLY 23 HA2 GLY 23 31.175 2.845 10.620
126 HA3 GLY 23 HA1 GLY 23 31.208 1.134 11.040
127 H GLY 24 HN GLY 24 29.711 -0.006 9.056
128 HA2 GLY 24 HA2 GLY 24 31.539 -0.184 6.912
129 HA3 GLY 24 HA1 GLY 24 29.908 -0.848 6.923
130 H ILE 25 HN ILE 25 28.445 1.529 7.250
131 HA ILE 25 HA ILE 25 28.293 2.444 4.571
132 HB ILE 25 HB ILE 25 26.529 2.426 6.552
133 HG12 ILE 25 HG12 ILE 25 26.167 3.003 4.126
134 HG13 ILE 25 HG11 ILE 25 25.168 3.945 5.235
135 HG21 ILE 25 HG21 ILE 25 27.744 5.202 6.651
136 HG22 ILE 25 HG22 ILE 25 27.708 4.027 7.966
137 HG23 ILE 25 HG23 ILE 25 26.208 4.757 7.395
138 HD11 ILE 25 HD11 ILE 25 26.039 5.564 3.749
139 HD12 ILE 25 HD12 ILE 25 27.635 4.815 3.732
140 HD13 ILE 25 HD13 ILE 25 27.086 5.686 5.163
141 H PHE 26 HN PHE 26 29.638 3.853 7.522
142 HA PHE 26 HA PHE 26 30.326 6.370 6.406
143 HB2 PHE 26 HB2 PHE 26 30.671 5.003 8.918
144 HB3 PHE 26 HB1 PHE 26 32.183 5.776 8.444
145 HD1 PHE 26 HD1 PHE 26 28.497 6.465 8.613
146 HD2 PHE 26 HD2 PHE 26 32.481 8.054 8.864
147 HE1 PHE 26 HE1 PHE 26 27.577 8.675 9.262
148 HE2 PHE 26 HE2 PHE 26 31.559 10.263 9.511
149 HZ PHE 26 HZ PHE 26 29.108 10.575 9.709
150 H THR 27 HN THR 27 31.871 3.238 6.385
151 HA THR 27 HA THR 27 34.494 4.046 5.716
152 HB THR 27 HB THR 27 33.127 1.496 4.832
153 HG1 THR 27 HG1 THR 27 33.396 2.408 7.263
154 HG21 THR 27 HG21 THR 27 35.837 2.552 4.749
155 HG22 THR 27 HG22 THR 27 35.175 1.110 3.978
156 HG23 THR 27 HG23 THR 27 35.758 1.032 5.641
157 H GLY 28 HN GLY 28 31.749 3.073 3.660
158 HA2 GLY 28 HA2 GLY 28 33.103 3.500 1.189
159 HA3 GLY 28 HA1 GLY 28 31.360 3.361 1.404
160 H VAL 29 HN VAL 29 30.840 5.491 3.098
161 HA VAL 29 HA VAL 29 30.761 7.676 1.302
162 HB VAL 29 HB VAL 29 30.159 7.384 4.242
163 HG11 VAL 29 HG11 VAL 29 30.736 9.801 2.764
164 HG12 VAL 29 HG12 VAL 29 30.335 9.611 4.470
165 HG13 VAL 29 HG13 VAL 29 29.049 9.787 3.277
166 HG21 VAL 29 HG21 VAL 29 28.673 6.440 2.361
167 HG22 VAL 29 HG22 VAL 29 28.337 8.119 1.940
168 HG23 VAL 29 HG23 VAL 29 27.888 7.502 3.530
169 H DBU 30 HN DHB 30 32.747 7.001 4.179
170 HB DBU 30 HB DHB 30 35.521 9.572 5.310
171 HG1 DBU 30 HG1 DHB 30 33.932 10.239 6.907
172 HG2 DBU 30 HG2 DHB 30 33.242 8.621 6.768
173 HG3 DBU 30 HG3 DHB 30 32.631 9.932 5.757
174 H VAL 31 HN VAL 31 34.679 6.229 2.786
175 HA VAL 31 HA VAL 31 37.347 6.628 1.950
176 HB VAL 31 HB VAL 31 35.162 4.706 1.289
177 HG11 VAL 31 HG11 VAL 31 36.054 5.253 -0.919
178 HG12 VAL 31 HG12 VAL 31 36.632 3.660 -0.435
179 HG13 VAL 31 HG13 VAL 31 37.704 5.056 -0.330
180 HG21 VAL 31 HG21 VAL 31 36.743 4.384 3.192
181 HG22 VAL 31 HG22 VAL 31 38.084 4.379 2.046
182 HG23 VAL 31 HG23 VAL 31 36.871 3.100 1.989
183 H VAL 32 HN VAL 32 34.245 7.035 0.244
184 HA VAL 32 HA VAL 32 35.345 7.807 -2.233
185 HB VAL 32 HB VAL 32 32.657 8.208 -0.939
186 HG11 VAL 32 HG11 VAL 32 33.618 9.176 -3.644
187 HG12 VAL 32 HG12 VAL 32 32.990 10.164 -2.326
188 HG13 VAL 32 HG13 VAL 32 31.919 9.057 -3.185
189 HG21 VAL 32 HG21 VAL 32 32.242 6.836 -3.217
190 HG22 VAL 32 HG22 VAL 32 32.697 6.036 -1.714
191 HG23 VAL 32 HG23 VAL 32 33.924 6.384 -2.934
192 H VAL 33 HN VAL 33 34.211 9.701 0.548
193 HA VAL 33 HA VAL 33 34.607 12.248 -0.579
194 HB VAL 33 HB VAL 33 34.712 13.008 1.813
195 HG11 VAL 33 HG11 VAL 33 32.411 11.843 2.374
196 HG12 VAL 33 HG12 VAL 33 32.559 11.222 0.729
197 HG13 VAL 33 HG13 VAL 33 32.522 12.962 1.015
198 HG21 VAL 33 HG21 VAL 33 34.509 10.030 2.316
199 HG22 VAL 33 HG22 VAL 33 34.322 11.274 3.549
200 HG23 VAL 33 HG23 VAL 33 35.875 11.058 2.740
201 H DAL 34 HN DAL 34 36.764 10.128 1.256
202 HA DAL 34 HA DAL 34 39.042 10.098 1.404
203 HB1 DAL 34 HB2 DAL 34 38.729 13.085 1.495
204 HB2 DAL 34 HB3 DAL 34 38.596 12.011 2.871
205 H LEU 35 HN LEU 35 38.674 9.332 -0.923
206 HA LEU 35 HA LEU 35 40.751 10.296 -2.518
207 HB2 LEU 35 HB2 LEU 35 39.498 7.999 -2.533
208 HB3 LEU 35 HB1 LEU 35 38.404 8.801 -3.658
209 HG LEU 35 HG LEU 35 40.007 7.853 -5.085
210 HD11 LEU 35 HD11 LEU 35 41.244 9.724 -6.003
211 HD12 LEU 35 HD12 LEU 35 41.186 10.567 -4.452
212 HD13 LEU 35 HD13 LEU 35 39.709 10.340 -5.383
213 HD21 LEU 35 HD21 LEU 35 41.992 8.649 -2.941
214 HD22 LEU 35 HD22 LEU 35 42.507 8.151 -4.552
215 HD23 LEU 35 HD23 LEU 35 41.616 7.029 -3.524
216 H LYS 36 HN LYS 36 37.244 10.844 -2.641
217 HA LYS 36 HA LYS 36 37.229 12.347 -5.033
218 HB2 LYS 36 HB2 LYS 36 35.343 12.298 -2.674
219 HB3 LYS 36 HB1 LYS 36 35.030 13.215 -4.147
220 HG2 LYS 36 HG2 LYS 36 35.582 10.234 -4.094
221 HG3 LYS 36 HG1 LYS 36 33.966 10.940 -4.142
222 HD2 LYS 36 HD2 LYS 36 34.533 12.088 -6.254
223 HD3 LYS 36 HD1 LYS 36 36.146 11.376 -6.206
224 HE2 LYS 36 HE2 LYS 36 35.160 9.118 -6.296
225 HE3 LYS 36 HE1 LYS 36 33.543 9.823 -6.332
226 HZ1 LYS 36 HZ1 LYS 36 33.742 10.363 -8.478
227 HZ2 LYS 36 HZ2 LYS 36 35.005 9.227 -8.509
228 HZ3 LYS 36 HZ3 LYS 36 35.349 10.880 -8.318
229 H HIS 37 HN HIS 37 37.688 13.253 -1.662
230 HA HIS 37 HA HIS 37 38.192 16.031 -2.538
231 HB2 HIS 37 HB2 HIS 37 37.265 14.956 0.136
232 HB3 HIS 37 HB1 HIS 37 37.703 16.640 -0.160
233 HD2 HIS 37 HD2 HIS 37 34.727 14.211 -0.833
234 HE1 HIS 37 HE1 HIS 37 33.750 17.928 -2.582
235 HE2 HIS 37 HE2 HIS 37 32.855 15.631 -1.973
236 H CYS 38 HN CYS 38 39.144 13.889 0.168
237 HA CYS 38 HA CYS 38 41.756 15.181 0.250
238 HB2 CYS 38 HB2 CYS 38 41.987 14.283 2.375
239 HB3 CYS 38 HB1 CYS 38 40.239 14.494 2.276
Start of MODEL 5
1 H1 ABA 1 HT1 ABU 1 14.508 -10.761 -11.458
2 H2 ABA 1 HT2 ABU 1 16.023 -11.520 -11.328
3 H3 ABA 1 HT3 ABU 1 15.867 -10.072 -12.204
4 HA ABA 1 HA ABU 1 15.060 -9.064 -10.010
5 HB2 ABA 1 HB2 ABU 1 16.812 -11.020 -8.656
6 HG1 ABA 1 HG1 ABU 1 14.849 -12.613 -8.388
7 HG3 ABA 1 HG3 ABU 1 14.086 -11.774 -9.739
8 HG2 ABA 1 HG2 ABU 1 15.610 -12.629 -9.979
9 H DBU 2 HN DHB 2 18.097 -10.954 -10.155
10 HB DBU 2 HB DHB 2 21.594 -9.560 -10.989
11 HG1 DBU 2 HG1 DHB 2 20.023 -12.095 -11.229
12 HG2 DBU 2 HG2 DHB 2 21.609 -11.739 -11.915
13 HG3 DBU 2 HG3 DHB 2 20.148 -11.202 -12.745
14 HA PRO 3 HA PRO 3 21.103 -5.815 -8.994
15 HB2 PRO 3 HB2 PRO 3 19.699 -4.397 -11.207
16 HB3 PRO 3 HB1 PRO 3 21.352 -4.186 -10.600
17 HG2 PRO 3 HG2 PRO 3 20.884 -5.411 -12.907
18 HG3 PRO 3 HG1 PRO 3 22.171 -5.955 -11.817
19 HD2 PRO 3 HD2 PRO 3 19.465 -7.165 -12.305
20 HD3 PRO 3 HD1 PRO 3 21.011 -7.978 -11.982
21 H VAL 4 HN VAL 4 17.852 -6.057 -10.413
22 HA VAL 4 HA VAL 4 16.601 -4.098 -8.815
23 HB VAL 4 HB VAL 4 15.501 -6.553 -10.199
24 HG11 VAL 4 HG11 VAL 4 13.738 -6.204 -8.781
25 HG12 VAL 4 HG12 VAL 4 13.375 -4.894 -9.904
26 HG13 VAL 4 HG13 VAL 4 14.237 -4.555 -8.403
27 HG21 VAL 4 HG21 VAL 4 16.308 -3.913 -11.040
28 HG22 VAL 4 HG22 VAL 4 14.573 -4.102 -11.283
29 HG23 VAL 4 HG23 VAL 4 15.695 -5.242 -12.024
30 H CYS 5 HN CYS 5 16.865 -7.627 -8.410
31 HA CYS 5 HA CYS 5 15.442 -7.708 -5.943
32 HB2 CYS 5 HB2 CYS 5 17.350 -9.629 -7.283
33 HB3 CYS 5 HB1 CYS 5 16.573 -9.980 -5.739
34 H ALA 6 HN ALA 6 18.865 -7.446 -6.792
35 HA ALA 6 HA ALA 6 19.961 -7.771 -4.226
36 HB1 ALA 6 HB1 ALA 6 21.696 -7.734 -5.681
37 HB2 ALA 6 HB2 ALA 6 21.666 -5.991 -5.409
38 HB3 ALA 6 HB3 ALA 6 20.849 -6.680 -6.813
39 H VAL 7 HN VAL 7 18.735 -4.891 -5.889
40 HA VAL 7 HA VAL 7 19.509 -3.000 -3.936
41 HB VAL 7 HB VAL 7 17.293 -2.983 -5.992
42 HG11 VAL 7 HG11 VAL 7 17.681 -0.376 -5.426
43 HG12 VAL 7 HG12 VAL 7 18.005 -1.061 -3.833
44 HG13 VAL 7 HG13 VAL 7 16.451 -1.348 -4.618
45 HG21 VAL 7 HG21 VAL 7 18.857 -2.144 -7.409
46 HG22 VAL 7 HG22 VAL 7 20.035 -2.786 -6.264
47 HG23 VAL 7 HG23 VAL 7 19.542 -1.096 -6.167
48 H ALA 8 HN ALA 8 16.490 -4.818 -4.407
49 HA ALA 8 HA ALA 8 15.077 -3.659 -2.246
50 HB1 ALA 8 HB1 ALA 8 14.012 -6.172 -2.461
51 HB2 ALA 8 HB2 ALA 8 14.742 -5.958 -4.053
52 HB3 ALA 8 HB3 ALA 8 13.549 -4.799 -3.466
53 H ALA 9 HN ALA 9 17.150 -6.524 -2.487
54 HA ALA 9 HA ALA 9 16.708 -7.507 0.126
55 HB1 ALA 9 HB1 ALA 9 17.995 -8.494 -2.001
56 HB2 ALA 9 HB2 ALA 9 18.331 -9.050 -0.362
57 HB3 ALA 9 HB3 ALA 9 19.387 -7.859 -1.122
58 H DBU 10 HN DHB 10 18.989 -5.133 -1.182
59 HB DBU 10 HB DHB 10 21.707 -3.374 1.029
60 HG1 DBU 10 HG1 DHB 10 23.052 -5.146 -0.025
61 HG2 DBU 10 HG2 DHB 10 22.404 -4.222 -1.381
62 HG3 DBU 10 HG3 DHB 10 21.648 -5.744 -0.910
63 H ALA 11 HN ALA 11 17.722 -3.079 0.038
64 HA ALA 11 HA ALA 11 17.617 -1.334 2.247
65 HB1 ALA 11 HB1 ALA 11 16.071 -1.831 -0.060
66 HB2 ALA 11 HB2 ALA 11 15.888 -0.505 1.088
67 HB3 ALA 11 HB3 ALA 11 14.973 -1.997 1.310
68 H ALA 12 HN ALA 12 16.150 -4.521 1.698
69 HA ALA 12 HA ALA 12 14.697 -4.611 4.138
70 HB1 ALA 12 HB1 ALA 12 15.109 -7.229 3.580
71 HB2 ALA 12 HB2 ALA 12 15.440 -6.518 2.000
72 HB3 ALA 12 HB3 ALA 12 13.882 -6.246 2.781
73 H ALA 13 HN ALA 13 17.911 -5.782 3.193
74 HA ALA 13 HA ALA 13 18.521 -7.044 5.663
75 HB1 ALA 13 HB1 ALA 13 20.020 -7.774 4.115
76 HB2 ALA 13 HB2 ALA 13 20.965 -6.400 4.692
77 HB3 ALA 13 HB3 ALA 13 19.999 -6.252 3.223
78 H ALA 14 HN ALA 14 18.938 -3.760 4.451
79 HA ALA 14 HA ALA 14 20.638 -2.778 6.468
80 HB2 ALA 14 HB2 ALA 14 19.562 -1.727 4.205
81 HB3 ALA 14 HB3 ALA 14 18.588 -0.918 5.434
82 H DHA 15 HN DHA 15 17.105 -3.101 6.296
83 HB1 DHA 15 HB1 DHA 15 14.602 -2.439 7.193
84 HB2 DHA 15 HB2 DHA 15 14.507 -2.414 9.045
85 H ALA 16 HN ALA 16 18.000 -4.509 9.039
86 HA ALA 16 HA ALA 16 18.160 -3.522 11.791
87 HB1 ALA 16 HB1 ALA 16 18.000 -6.059 10.746
88 HB2 ALA 16 HB2 ALA 16 18.544 -5.671 12.379
89 HB3 ALA 16 HB3 ALA 16 19.724 -5.907 11.090
90 H ALA 17 HN ALA 17 20.398 -4.518 9.195
91 HA ALA 17 HA ALA 17 22.765 -3.700 10.481
92 HB1 ALA 17 HB1 ALA 17 22.325 -3.682 7.493
93 HB2 ALA 17 HB2 ALA 17 22.547 -5.170 8.414
94 HB3 ALA 17 HB3 ALA 17 23.831 -3.962 8.368
95 H CYS 18 HN CYS 18 20.773 -2.019 8.044
96 HA CYS 18 HA CYS 18 22.278 0.355 7.954
97 HB2 CYS 18 HB2 CYS 18 19.349 -0.175 7.424
98 HB3 CYS 18 HB1 CYS 18 20.126 1.378 7.115
99 H GLY 19 HN GLY 19 19.559 -0.613 10.009
100 HA2 GLY 19 HA2 GLY 19 19.196 1.863 11.324
101 HA3 GLY 19 HA1 GLY 19 18.703 0.290 11.947
102 H TRP 20 HN TRP 20 21.032 -1.044 12.282
103 HA TRP 20 HA TRP 20 22.075 0.086 14.673
104 HB2 TRP 20 HB2 TRP 20 22.881 -2.272 12.973
105 HB3 TRP 20 HB1 TRP 20 23.772 -1.818 14.426
106 HD1 TRP 20 HD1 TRP 20 20.020 -2.270 13.541
107 HE1 TRP 20 HE1 TRP 20 18.899 -3.557 15.475
108 HE3 TRP 20 HE3 TRP 20 24.033 -2.885 16.639
109 HZ2 TRP 20 HZ2 TRP 20 19.609 -4.694 18.002
110 HZ3 TRP 20 HZ3 TRP 20 23.783 -4.072 18.801
111 HH2 TRP 20 HH2 TRP 20 21.578 -4.975 19.483
112 H VAL 21 HN VAL 21 23.264 -0.104 11.348
113 HA VAL 21 HA VAL 21 25.344 0.600 10.497
114 HB VAL 21 HB VAL 21 23.651 2.403 10.177
115 HG11 VAL 21 HG11 VAL 21 24.903 4.003 12.351
116 HG12 VAL 21 HG12 VAL 21 23.770 2.748 12.853
117 HG13 VAL 21 HG13 VAL 21 23.243 4.021 11.753
118 HG21 VAL 21 HG21 VAL 21 25.926 4.116 10.630
119 HG22 VAL 21 HG22 VAL 21 25.308 3.488 9.103
120 HG23 VAL 21 HG23 VAL 21 26.481 2.553 10.031
121 H GLY 22 HN GLY 22 26.722 -0.527 12.041
122 HA2 GLY 22 HA2 GLY 22 27.659 0.847 14.397
123 HA3 GLY 22 HA1 GLY 22 28.308 -0.649 13.729
124 H GLY 23 HN GLY 23 28.036 1.757 11.377
125 HA2 GLY 23 HA2 GLY 23 29.585 3.525 10.835
126 HA3 GLY 23 HA1 GLY 23 30.799 2.705 11.812
127 H GLY 24 HN GLY 24 29.817 0.090 10.576
128 HA2 GLY 24 HA2 GLY 24 31.787 -0.082 8.531
129 HA3 GLY 24 HA1 GLY 24 30.592 -1.316 8.921
130 H ILE 25 HN ILE 25 28.235 0.093 8.466
131 HA ILE 25 HA ILE 25 27.975 -0.140 5.649
132 HB ILE 25 HB ILE 25 26.047 -0.575 6.989
133 HG12 ILE 25 HG12 ILE 25 24.425 0.725 5.864
134 HG13 ILE 25 HG11 ILE 25 25.461 2.153 5.839
135 HG21 ILE 25 HG21 ILE 25 26.839 0.921 8.884
136 HG22 ILE 25 HG22 ILE 25 25.109 0.992 8.550
137 HG23 ILE 25 HG23 ILE 25 26.170 2.282 7.983
138 HD11 ILE 25 HD11 ILE 25 26.591 1.462 3.982
139 HD12 ILE 25 HD12 ILE 25 25.153 0.478 3.713
140 HD13 ILE 25 HD13 ILE 25 26.574 -0.230 4.481
141 H PHE 26 HN PHE 26 27.978 2.685 7.818
142 HA PHE 26 HA PHE 26 27.642 4.654 5.841
143 HB2 PHE 26 HB2 PHE 26 27.427 5.064 8.281
144 HB3 PHE 26 HB1 PHE 26 29.175 4.892 8.443
145 HD1 PHE 26 HD1 PHE 26 26.668 6.761 6.359
146 HD2 PHE 26 HD2 PHE 26 30.483 6.816 8.335
147 HE1 PHE 26 HE1 PHE 26 26.965 9.138 5.719
148 HE2 PHE 26 HE2 PHE 26 30.780 9.194 7.694
149 HZ PHE 26 HZ PHE 26 29.021 10.356 6.387
150 H THR 27 HN THR 27 30.608 3.280 7.252
151 HA THR 27 HA THR 27 32.463 4.858 5.863
152 HB THR 27 HB THR 27 34.059 3.016 6.310
153 HG1 THR 27 HG1 THR 27 32.516 1.433 7.745
154 HG21 THR 27 HG21 THR 27 34.024 4.210 8.245
155 HG22 THR 27 HG22 THR 27 33.162 2.809 8.880
156 HG23 THR 27 HG23 THR 27 32.262 4.218 8.320
157 H GLY 28 HN GLY 28 31.035 1.711 5.007
158 HA2 GLY 28 HA2 GLY 28 32.412 1.403 2.548
159 HA3 GLY 28 HA1 GLY 28 30.921 0.581 3.003
160 H VAL 29 HN VAL 29 29.213 2.742 3.346
161 HA VAL 29 HA VAL 29 28.424 3.280 0.678
162 HB VAL 29 HB VAL 29 27.529 4.154 3.389
163 HG11 VAL 29 HG11 VAL 29 26.949 5.562 0.785
164 HG12 VAL 29 HG12 VAL 29 27.364 6.266 2.349
165 HG13 VAL 29 HG13 VAL 29 25.769 5.556 2.096
166 HG21 VAL 29 HG21 VAL 29 25.783 2.774 2.919
167 HG22 VAL 29 HG22 VAL 29 26.813 2.160 1.626
168 HG23 VAL 29 HG23 VAL 29 25.612 3.404 1.281
169 H DBU 30 HN DHB 30 29.985 5.302 3.167
170 HB DBU 30 HB DHB 30 31.065 9.001 2.316
171 HG1 DBU 30 HG1 DHB 30 29.045 9.590 3.389
172 HG2 DBU 30 HG2 DHB 30 29.333 8.169 4.393
173 HG3 DBU 30 HG3 DHB 30 28.318 8.042 2.957
174 H VAL 31 HN VAL 31 32.229 4.887 2.138
175 HA VAL 31 HA VAL 31 34.492 5.979 0.790
176 HB VAL 31 HB VAL 31 33.678 3.297 1.801
177 HG11 VAL 31 HG11 VAL 31 35.593 3.806 -0.454
178 HG12 VAL 31 HG12 VAL 31 34.470 2.466 -0.228
179 HG13 VAL 31 HG13 VAL 31 35.958 2.538 0.715
180 HG21 VAL 31 HG21 VAL 31 36.371 4.645 1.955
181 HG22 VAL 31 HG22 VAL 31 35.633 3.522 3.097
182 HG23 VAL 31 HG23 VAL 31 35.042 5.180 2.984
183 H VAL 32 HN VAL 32 31.895 3.759 -0.203
184 HA VAL 32 HA VAL 32 32.829 3.344 -2.843
185 HB VAL 32 HB VAL 32 30.095 3.111 -1.582
186 HG11 VAL 32 HG11 VAL 32 30.900 2.158 -4.343
187 HG12 VAL 32 HG12 VAL 32 30.019 3.661 -4.063
188 HG13 VAL 32 HG13 VAL 32 29.292 2.117 -3.618
189 HG21 VAL 32 HG21 VAL 32 30.550 0.768 -1.590
190 HG22 VAL 32 HG22 VAL 32 32.035 1.526 -1.013
191 HG23 VAL 32 HG23 VAL 32 31.922 0.963 -2.681
192 H VAL 33 HN VAL 33 30.404 5.595 -1.521
193 HA VAL 33 HA VAL 33 29.565 6.818 -3.855
194 HB VAL 33 HB VAL 33 28.431 7.471 -1.909
195 HG11 VAL 33 HG11 VAL 33 30.731 6.935 -0.592
196 HG12 VAL 33 HG12 VAL 33 29.396 7.824 0.140
197 HG13 VAL 33 HG13 VAL 33 30.769 8.696 -0.542
198 HG21 VAL 33 HG21 VAL 33 29.520 9.388 -3.536
199 HG22 VAL 33 HG22 VAL 33 30.065 9.933 -1.950
200 HG23 VAL 33 HG23 VAL 33 28.342 9.722 -2.266
201 H DAL 34 HN DAL 34 31.999 8.281 -1.694
202 HA DAL 34 HA DAL 34 33.931 9.445 -2.156
203 HB1 DAL 34 HB2 DAL 34 32.814 10.569 -4.654
204 HB2 DAL 34 HB3 DAL 34 31.840 10.809 -3.207
205 H LEU 35 HN LEU 35 33.571 6.753 -3.284
206 HA LEU 35 HA LEU 35 35.917 6.567 -4.814
207 HB2 LEU 35 HB2 LEU 35 34.613 4.739 -3.499
208 HB3 LEU 35 HB1 LEU 35 33.718 4.525 -5.003
209 HG LEU 35 HG LEU 35 35.790 4.091 -6.220
210 HD11 LEU 35 HD11 LEU 35 37.667 5.057 -5.418
211 HD12 LEU 35 HD12 LEU 35 37.727 3.755 -4.230
212 HD13 LEU 35 HD13 LEU 35 36.944 5.283 -3.825
213 HD21 LEU 35 HD21 LEU 35 35.063 2.526 -3.795
214 HD22 LEU 35 HD22 LEU 35 36.613 2.133 -4.541
215 HD23 LEU 35 HD23 LEU 35 35.126 2.020 -5.484
216 H LYS 36 HN LYS 36 32.656 7.285 -5.717
217 HA LYS 36 HA LYS 36 33.161 6.725 -8.549
218 HB2 LYS 36 HB2 LYS 36 30.672 7.673 -7.109
219 HB3 LYS 36 HB1 LYS 36 30.769 7.319 -8.834
220 HG2 LYS 36 HG2 LYS 36 31.361 5.338 -6.614
221 HG3 LYS 36 HG1 LYS 36 29.868 5.394 -7.551
222 HD2 LYS 36 HD2 LYS 36 31.131 4.985 -9.621
223 HD3 LYS 36 HD1 LYS 36 32.639 4.962 -8.706
224 HE2 LYS 36 HE2 LYS 36 31.857 3.018 -7.425
225 HE3 LYS 36 HE1 LYS 36 30.319 3.052 -8.288
226 HZ1 LYS 36 HZ1 LYS 36 31.231 2.180 -10.135
227 HZ2 LYS 36 HZ2 LYS 36 32.391 1.579 -9.049
228 HZ3 LYS 36 HZ3 LYS 36 32.707 2.991 -9.940
229 H HIS 37 HN HIS 37 32.293 9.449 -6.432
230 HA HIS 37 HA HIS 37 32.858 11.302 -8.653
231 HB2 HIS 37 HB2 HIS 37 31.567 11.964 -6.003
232 HB3 HIS 37 HB1 HIS 37 31.562 12.930 -7.479
233 HD2 HIS 37 HD2 HIS 37 29.803 9.695 -6.059
234 HE1 HIS 37 HE1 HIS 37 27.862 10.807 -9.641
235 HE2 HIS 37 HE2 HIS 37 27.785 9.231 -7.651
236 H CYS 38 HN CYS 38 33.989 10.230 -5.562
237 HA CYS 38 HA CYS 38 35.787 12.523 -5.263
238 HB2 CYS 38 HB2 CYS 38 35.453 10.103 -3.475
239 HB3 CYS 38 HB1 CYS 38 36.328 11.584 -3.091
Start of MODEL 6
1 H1 ABA 1 HT1 ABU 1 7.339 -17.559 -6.308
2 H2 ABA 1 HT2 ABU 1 5.878 -16.692 -6.302
3 H3 ABA 1 HT3 ABU 1 6.309 -17.644 -4.963
4 HA ABA 1 HA ABU 1 8.311 -16.180 -4.698
5 HB2 ABA 1 HB2 ABU 1 6.860 -14.038 -6.152
6 HG1 ABA 1 HG1 ABU 1 8.154 -14.855 -8.277
7 HG3 ABA 1 HG3 ABU 1 8.051 -16.441 -7.510
8 HG2 ABA 1 HG2 ABU 1 6.578 -15.559 -7.911
9 H DBU 2 HN DHB 2 5.510 -14.090 -5.273
10 HB DBU 2 HB DHB 2 2.857 -13.139 -2.621
11 HG1 DBU 2 HG1 DHB 2 3.096 -14.502 -5.363
12 HG2 DBU 2 HG2 DHB 2 2.033 -13.131 -5.052
13 HG3 DBU 2 HG3 DHB 2 1.719 -14.683 -4.278
14 HA PRO 3 HA PRO 3 5.613 -12.572 0.564
15 HB2 PRO 3 HB2 PRO 3 6.087 -15.413 1.317
16 HB3 PRO 3 HB1 PRO 3 5.222 -14.149 2.195
17 HG2 PRO 3 HG2 PRO 3 3.935 -16.104 0.979
18 HG3 PRO 3 HG1 PRO 3 3.297 -14.449 0.991
19 HD2 PRO 3 HD2 PRO 3 4.653 -15.928 -1.209
20 HD3 PRO 3 HD1 PRO 3 3.337 -14.748 -1.293
21 H VAL 4 HN VAL 4 7.338 -15.457 -0.654
22 HA VAL 4 HA VAL 4 9.856 -14.776 0.441
23 HB VAL 4 HB VAL 4 10.727 -16.409 -1.282
24 HG11 VAL 4 HG11 VAL 4 8.575 -17.983 -0.175
25 HG12 VAL 4 HG12 VAL 4 9.120 -16.803 1.018
26 HG13 VAL 4 HG13 VAL 4 10.270 -17.938 0.313
27 HG21 VAL 4 HG21 VAL 4 8.698 -15.789 -2.822
28 HG22 VAL 4 HG22 VAL 4 7.840 -16.999 -1.871
29 HG23 VAL 4 HG23 VAL 4 9.275 -17.455 -2.790
30 H CYS 5 HN CYS 5 8.343 -14.100 -2.676
31 HA CYS 5 HA CYS 5 10.637 -12.964 -3.910
32 HB2 CYS 5 HB2 CYS 5 7.696 -12.953 -4.451
33 HB3 CYS 5 HB1 CYS 5 8.716 -11.786 -5.295
34 H ALA 6 HN ALA 6 7.947 -11.593 -2.052
35 HA ALA 6 HA ALA 6 8.630 -8.872 -2.404
36 HB1 ALA 6 HB1 ALA 6 6.621 -8.755 -1.412
37 HB2 ALA 6 HB2 ALA 6 7.433 -9.094 0.117
38 HB3 ALA 6 HB3 ALA 6 6.749 -10.415 -0.831
39 H VAL 7 HN VAL 7 9.416 -11.185 0.184
40 HA VAL 7 HA VAL 7 10.915 -9.378 1.766
41 HB VAL 7 HB VAL 7 9.991 -11.832 2.225
42 HG11 VAL 7 HG11 VAL 7 12.921 -12.326 1.636
43 HG12 VAL 7 HG12 VAL 7 11.617 -12.792 0.546
44 HG13 VAL 7 HG13 VAL 7 11.721 -13.511 2.152
45 HG21 VAL 7 HG21 VAL 7 12.428 -10.472 3.391
46 HG22 VAL 7 HG22 VAL 7 11.766 -11.951 4.089
47 HG23 VAL 7 HG23 VAL 7 10.782 -10.488 4.024
48 H ALA 8 HN ALA 8 11.834 -11.634 -0.806
49 HA ALA 8 HA ALA 8 14.631 -11.279 -0.600
50 HB1 ALA 8 HB1 ALA 8 14.736 -12.691 -2.373
51 HB2 ALA 8 HB2 ALA 8 13.553 -11.771 -3.302
52 HB3 ALA 8 HB3 ALA 8 13.013 -12.909 -2.067
53 H ALA 9 HN ALA 9 12.130 -9.554 -2.401
54 HA ALA 9 HA ALA 9 13.850 -7.940 -3.963
55 HB1 ALA 9 HB1 ALA 9 11.941 -6.851 -4.649
56 HB2 ALA 9 HB2 ALA 9 11.224 -6.868 -3.038
57 HB3 ALA 9 HB3 ALA 9 11.221 -8.333 -4.020
58 H DBU 10 HN DHB 10 12.474 -7.539 -0.722
59 HB DBU 10 HB DHB 10 13.094 -4.348 1.463
60 HG1 DBU 10 HG1 DHB 10 10.852 -3.863 0.627
61 HG2 DBU 10 HG2 DHB 10 10.661 -5.452 1.369
62 HG3 DBU 10 HG3 DHB 10 10.857 -5.313 -0.378
63 H ALA 11 HN ALA 11 14.857 -7.863 0.713
64 HA ALA 11 HA ALA 11 17.185 -6.563 1.642
65 HB1 ALA 11 HB1 ALA 11 16.648 -8.848 2.306
66 HB2 ALA 11 HB2 ALA 11 18.222 -8.815 1.511
67 HB3 ALA 11 HB3 ALA 11 16.805 -9.395 0.637
68 H ALA 12 HN ALA 12 16.315 -7.923 -1.507
69 HA ALA 12 HA ALA 12 18.851 -7.657 -2.729
70 HB1 ALA 12 HB1 ALA 12 17.486 -8.974 -4.020
71 HB2 ALA 12 HB2 ALA 12 17.231 -7.436 -4.844
72 HB3 ALA 12 HB3 ALA 12 16.048 -8.016 -3.669
73 H ALA 13 HN ALA 13 16.127 -5.438 -2.367
74 HA ALA 13 HA ALA 13 17.106 -3.415 -4.106
75 HB1 ALA 13 HB1 ALA 13 15.587 -2.033 -2.328
76 HB2 ALA 13 HB2 ALA 13 14.981 -3.669 -2.068
77 HB3 ALA 13 HB3 ALA 13 14.921 -2.953 -3.678
78 H ALA 14 HN ALA 14 16.909 -3.316 -0.541
79 HA ALA 14 HA ALA 14 18.725 -1.174 -0.274
80 HB2 ALA 14 HB2 ALA 14 17.406 -1.437 1.611
81 HB3 ALA 14 HB3 ALA 14 17.549 -3.195 1.591
82 H DHA 15 HN DHA 15 19.143 -4.689 -0.178
83 HB1 DHA 15 HB1 DHA 15 20.613 -6.888 0.542
84 HB2 DHA 15 HB2 DHA 15 22.399 -6.710 0.077
85 H ALA 16 HN ALA 16 21.229 -3.608 -2.319
86 HA ALA 16 HA ALA 16 24.072 -2.968 -2.218
87 HB1 ALA 16 HB1 ALA 16 23.137 -3.627 -4.366
88 HB2 ALA 16 HB2 ALA 16 23.653 -1.942 -4.439
89 HB3 ALA 16 HB3 ALA 16 21.941 -2.334 -4.271
90 H ALA 17 HN ALA 17 20.946 -1.276 -2.168
91 HA ALA 17 HA ALA 17 22.138 1.327 -1.915
92 HB1 ALA 17 HB1 ALA 17 19.522 0.248 -2.312
93 HB2 ALA 17 HB2 ALA 17 20.055 1.920 -2.487
94 HB3 ALA 17 HB3 ALA 17 19.469 1.339 -0.927
95 H CYS 18 HN CYS 18 19.908 -0.236 0.371
96 HA CYS 18 HA CYS 18 20.793 1.255 2.594
97 HB2 CYS 18 HB2 CYS 18 19.382 -0.147 3.894
98 HB3 CYS 18 HB1 CYS 18 18.582 0.040 2.337
99 H GLY 19 HN GLY 19 21.443 -2.093 1.616
100 HA2 GLY 19 HA2 GLY 19 23.100 -2.840 3.734
101 HA3 GLY 19 HA1 GLY 19 23.194 -3.512 2.110
102 H TRP 20 HN TRP 20 24.139 -1.655 0.509
103 HA TRP 20 HA TRP 20 26.871 -1.414 1.217
104 HB2 TRP 20 HB2 TRP 20 25.670 -1.424 -1.119
105 HB3 TRP 20 HB1 TRP 20 25.641 0.309 -0.885
106 HD1 TRP 20 HD1 TRP 20 27.950 1.612 -0.792
107 HE1 TRP 20 HE1 TRP 20 30.324 0.941 -1.593
108 HE3 TRP 20 HE3 TRP 20 27.304 -3.379 -1.426
109 HZ2 TRP 20 HZ2 TRP 20 31.742 -1.369 -2.389
110 HZ3 TRP 20 HZ3 TRP 20 29.195 -4.819 -2.214
111 HH2 TRP 20 HH2 TRP 20 31.406 -3.784 -2.691
112 H VAL 21 HN VAL 21 24.227 0.972 1.106
113 HA VAL 21 HA VAL 21 25.750 3.230 1.793
114 HB VAL 21 HB VAL 21 22.840 2.559 2.227
115 HG11 VAL 21 HG11 VAL 21 23.405 5.378 2.219
116 HG12 VAL 21 HG12 VAL 21 24.365 4.594 3.474
117 HG13 VAL 21 HG13 VAL 21 22.611 4.417 3.467
118 HG21 VAL 21 HG21 VAL 21 24.068 2.967 -0.106
119 HG22 VAL 21 HG22 VAL 21 23.890 4.657 0.367
120 HG23 VAL 21 HG23 VAL 21 22.463 3.632 0.203
121 H GLY 22 HN GLY 22 23.961 0.922 3.817
122 HA2 GLY 22 HA2 GLY 22 24.152 2.026 6.306
123 HA3 GLY 22 HA1 GLY 22 24.323 0.297 6.017
124 H GLY 23 HN GLY 23 26.749 1.149 4.271
125 HA2 GLY 23 HA2 GLY 23 28.653 1.639 6.484
126 HA3 GLY 23 HA1 GLY 23 28.925 0.335 5.333
127 H GLY 24 HN GLY 24 27.721 2.098 3.179
128 HA2 GLY 24 HA2 GLY 24 30.145 3.139 2.147
129 HA3 GLY 24 HA1 GLY 24 28.537 3.430 1.491
130 H ILE 25 HN ILE 25 27.440 4.600 3.891
131 HA ILE 25 HA ILE 25 28.079 7.303 3.472
132 HB ILE 25 HB ILE 25 25.971 6.916 4.401
133 HG12 ILE 25 HG12 ILE 25 25.991 8.046 6.566
134 HG13 ILE 25 HG11 ILE 25 27.705 7.683 6.766
135 HG21 ILE 25 HG21 ILE 25 26.572 5.647 6.916
136 HG22 ILE 25 HG22 ILE 25 27.246 4.696 5.594
137 HG23 ILE 25 HG23 ILE 25 25.526 5.081 5.614
138 HD11 ILE 25 HD11 ILE 25 28.279 9.497 5.565
139 HD12 ILE 25 HD12 ILE 25 26.575 9.949 5.511
140 HD13 ILE 25 HD13 ILE 25 27.268 8.969 4.219
141 H PHE 26 HN PHE 26 28.608 5.516 6.501
142 HA PHE 26 HA PHE 26 30.451 7.349 7.579
143 HB2 PHE 26 HB2 PHE 26 29.271 5.667 8.942
144 HB3 PHE 26 HB1 PHE 26 30.188 4.385 8.153
145 HD1 PHE 26 HD1 PHE 26 30.668 7.568 10.071
146 HD2 PHE 26 HD2 PHE 26 32.249 3.708 9.042
147 HE1 PHE 26 HE1 PHE 26 32.522 7.897 11.685
148 HE2 PHE 26 HE2 PHE 26 34.103 4.039 10.656
149 HZ PHE 26 HZ PHE 26 34.240 6.133 11.977
150 H THR 27 HN THR 27 30.972 4.317 5.785
151 HA THR 27 HA THR 27 33.785 4.306 5.924
152 HB THR 27 HB THR 27 31.969 3.210 3.761
153 HG1 THR 27 HG1 THR 27 33.085 1.440 5.447
154 HG21 THR 27 HG21 THR 27 33.925 1.649 3.404
155 HG22 THR 27 HG22 THR 27 34.875 2.712 4.440
156 HG23 THR 27 HG23 THR 27 34.219 3.320 2.920
157 H GLY 28 HN GLY 28 31.595 5.590 3.423
158 HA2 GLY 28 HA2 GLY 28 33.651 6.601 1.740
159 HA3 GLY 28 HA1 GLY 28 31.956 7.081 1.702
160 H VAL 29 HN VAL 29 31.695 8.061 4.328
161 HA VAL 29 HA VAL 29 32.682 10.698 4.032
162 HB VAL 29 HB VAL 29 31.365 9.216 6.303
163 HG11 VAL 29 HG11 VAL 29 32.186 10.759 7.718
164 HG12 VAL 29 HG12 VAL 29 31.253 11.965 6.831
165 HG13 VAL 29 HG13 VAL 29 32.936 11.656 6.399
166 HG21 VAL 29 HG21 VAL 29 29.618 11.025 5.764
167 HG22 VAL 29 HG22 VAL 29 29.837 9.760 4.555
168 HG23 VAL 29 HG23 VAL 29 30.565 11.349 4.311
169 H DBU 30 HN DHB 30 33.666 7.977 6.112
170 HB DBU 30 HB DHB 30 36.758 8.412 8.542
171 HG1 DBU 30 HG1 DHB 30 35.111 8.604 10.205
172 HG2 DBU 30 HG2 DHB 30 33.903 8.001 9.069
173 HG3 DBU 30 HG3 DHB 30 34.262 9.727 9.143
174 H VAL 31 HN VAL 31 35.564 7.106 4.729
175 HA VAL 31 HA VAL 31 38.348 6.911 4.299
176 HB VAL 31 HB VAL 31 35.954 6.412 2.531
177 HG11 VAL 31 HG11 VAL 31 37.549 6.879 0.901
178 HG12 VAL 31 HG12 VAL 31 37.835 5.160 1.172
179 HG13 VAL 31 HG13 VAL 31 38.891 6.358 1.920
180 HG21 VAL 31 HG21 VAL 31 37.998 4.433 3.530
181 HG22 VAL 31 HG22 VAL 31 36.333 4.141 3.026
182 HG23 VAL 31 HG23 VAL 31 36.661 4.939 4.564
183 H VAL 32 HN VAL 32 35.850 8.988 2.840
184 HA VAL 32 HA VAL 32 37.524 10.277 0.981
185 HB VAL 32 HB VAL 32 34.945 11.089 2.322
186 HG11 VAL 32 HG11 VAL 32 35.337 13.204 1.665
187 HG12 VAL 32 HG12 VAL 32 35.347 12.626 -0.001
188 HG13 VAL 32 HG13 VAL 32 36.856 12.734 0.903
189 HG21 VAL 32 HG21 VAL 32 35.641 10.278 -0.521
190 HG22 VAL 32 HG22 VAL 32 34.024 10.628 0.092
191 HG23 VAL 32 HG23 VAL 32 34.904 9.218 0.681
192 H VAL 33 HN VAL 33 36.580 11.164 4.294
193 HA VAL 33 HA VAL 33 37.995 13.612 4.388
194 HB VAL 33 HB VAL 33 37.780 13.380 6.838
195 HG11 VAL 33 HG11 VAL 33 35.227 12.978 6.815
196 HG12 VAL 33 HG12 VAL 33 35.415 12.730 5.079
197 HG13 VAL 33 HG13 VAL 33 35.849 14.280 5.801
198 HG21 VAL 33 HG21 VAL 33 36.697 11.363 7.757
199 HG22 VAL 33 HG22 VAL 33 38.217 10.951 6.961
200 HG23 VAL 33 HG23 VAL 33 36.683 10.640 6.149
201 H DAL 34 HN DAL 34 38.888 10.315 5.340
202 HA DAL 34 HA DAL 34 40.938 9.370 5.741
203 HB1 DAL 34 HB2 DAL 34 42.213 11.962 6.429
204 HB2 DAL 34 HB3 DAL 34 40.834 11.484 7.405
205 H LEU 35 HN LEU 35 40.240 10.105 3.159
206 HA LEU 35 HA LEU 35 42.626 9.833 1.762
207 HB2 LEU 35 HB2 LEU 35 40.168 9.520 0.980
208 HB3 LEU 35 HB1 LEU 35 40.248 11.233 0.566
209 HG LEU 35 HG LEU 35 42.195 10.826 -0.862
210 HD11 LEU 35 HD11 LEU 35 42.547 8.207 -1.263
211 HD12 LEU 35 HD12 LEU 35 41.990 8.129 0.408
212 HD13 LEU 35 HD13 LEU 35 43.425 9.069 0.000
213 HD21 LEU 35 HD21 LEU 35 41.089 9.391 -2.578
214 HD22 LEU 35 HD22 LEU 35 39.985 10.583 -1.891
215 HD23 LEU 35 HD23 LEU 35 39.902 8.901 -1.367
216 H LYS 36 HN LYS 36 41.328 12.599 3.280
217 HA LYS 36 HA LYS 36 42.952 14.420 1.630
218 HB2 LYS 36 HB2 LYS 36 40.814 14.964 3.698
219 HB3 LYS 36 HB1 LYS 36 41.715 16.213 2.838
220 HG2 LYS 36 HG2 LYS 36 40.048 14.066 1.494
221 HG3 LYS 36 HG1 LYS 36 39.506 15.720 1.781
222 HD2 LYS 36 HD2 LYS 36 41.386 16.576 0.432
223 HD3 LYS 36 HD1 LYS 36 41.931 14.924 0.141
224 HE2 LYS 36 HE2 LYS 36 39.773 14.414 -0.960
225 HE3 LYS 36 HE1 LYS 36 39.250 16.076 -0.689
226 HZ1 LYS 36 HZ1 LYS 36 41.297 16.756 -1.945
227 HZ2 LYS 36 HZ2 LYS 36 40.095 15.987 -2.869
228 HZ3 LYS 36 HZ3 LYS 36 41.481 15.129 -2.391
229 H HIS 37 HN HIS 37 42.288 13.715 5.061
230 HA HIS 37 HA HIS 37 44.809 15.041 5.786
231 HB2 HIS 37 HB2 HIS 37 42.647 13.957 7.608
232 HB3 HIS 37 HB1 HIS 37 43.970 15.039 8.050
233 HD2 HIS 37 HD2 HIS 37 40.442 15.223 6.379
234 HE1 HIS 37 HE1 HIS 37 42.034 19.135 6.432
235 HE2 HIS 37 HE2 HIS 37 39.953 17.756 5.970
236 H CYS 38 HN CYS 38 43.454 11.922 5.400
237 HA CYS 38 HA CYS 38 45.418 10.618 7.106
238 HB2 CYS 38 HB2 CYS 38 43.214 9.427 5.400
239 HB3 CYS 38 HB1 CYS 38 44.230 8.552 6.539
Start of MODEL 7
1 H1 ABA 1 HT1 ABU 1 15.713 -9.434 -12.852
2 H2 ABA 1 HT2 ABU 1 14.618 -8.140 -12.964
3 H3 ABA 1 HT3 ABU 1 14.188 -9.551 -12.122
4 HA ABA 1 HA ABU 1 14.715 -8.078 -10.429
5 HB2 ABA 1 HB2 ABU 1 17.482 -9.097 -10.650
6 HG1 ABA 1 HG1 ABU 1 16.387 -10.827 -11.970
7 HG3 ABA 1 HG3 ABU 1 16.730 -11.470 -10.364
8 HG2 ABA 1 HG2 ABU 1 15.092 -10.962 -10.780
9 H DBU 2 HN DHB 2 17.823 -8.143 -12.181
10 HB DBU 2 HB DHB 2 19.687 -5.089 -13.611
11 HG1 DBU 2 HG1 DHB 2 18.591 -6.839 -15.377
12 HG2 DBU 2 HG2 DHB 2 19.094 -8.021 -14.169
13 HG3 DBU 2 HG3 DHB 2 20.297 -7.002 -14.959
14 HA PRO 3 HA PRO 3 18.624 -2.352 -10.520
15 HB2 PRO 3 HB2 PRO 3 15.911 -1.685 -11.571
16 HB3 PRO 3 HB1 PRO 3 17.357 -0.676 -11.484
17 HG2 PRO 3 HG2 PRO 3 16.565 -1.660 -13.781
18 HG3 PRO 3 HG1 PRO 3 18.290 -1.634 -13.364
19 HD2 PRO 3 HD2 PRO 3 16.376 -3.931 -13.298
20 HD3 PRO 3 HD1 PRO 3 18.070 -3.900 -13.813
21 H VAL 4 HN VAL 4 15.492 -4.027 -10.738
22 HA VAL 4 HA VAL 4 14.485 -3.203 -8.227
23 HB VAL 4 HB VAL 4 13.869 -5.614 -9.946
24 HG11 VAL 4 HG11 VAL 4 13.048 -6.392 -7.936
25 HG12 VAL 4 HG12 VAL 4 11.688 -5.372 -8.408
26 HG13 VAL 4 HG13 VAL 4 12.883 -4.773 -7.256
27 HG21 VAL 4 HG21 VAL 4 13.159 -2.826 -10.012
28 HG22 VAL 4 HG22 VAL 4 11.715 -3.778 -9.664
29 HG23 VAL 4 HG23 VAL 4 12.663 -4.110 -11.114
30 H CYS 5 HN CYS 5 16.246 -6.120 -9.231
31 HA CYS 5 HA CYS 5 16.239 -7.370 -6.688
32 HB2 CYS 5 HB2 CYS 5 17.903 -7.682 -9.174
33 HB3 CYS 5 HB1 CYS 5 18.299 -8.576 -7.703
34 H ALA 6 HN ALA 6 18.483 -5.148 -8.278
35 HA ALA 6 HA ALA 6 20.565 -5.288 -6.381
36 HB1 ALA 6 HB1 ALA 6 20.368 -2.645 -7.480
37 HB2 ALA 6 HB2 ALA 6 20.002 -3.825 -8.739
38 HB3 ALA 6 HB3 ALA 6 21.530 -3.917 -7.863
39 H VAL 7 HN VAL 7 17.662 -3.269 -6.562
40 HA VAL 7 HA VAL 7 18.286 -1.553 -4.414
41 HB VAL 7 HB VAL 7 15.662 -2.435 -5.623
42 HG11 VAL 7 HG11 VAL 7 15.448 -1.761 -3.215
43 HG12 VAL 7 HG12 VAL 7 14.597 -0.690 -4.329
44 HG13 VAL 7 HG13 VAL 7 16.145 -0.198 -3.641
45 HG21 VAL 7 HG21 VAL 7 17.397 0.043 -5.826
46 HG22 VAL 7 HG22 VAL 7 15.748 -0.038 -6.444
47 HG23 VAL 7 HG23 VAL 7 16.995 -1.087 -7.119
48 H ALA 8 HN ALA 8 16.487 -4.615 -4.569
49 HA ALA 8 HA ALA 8 15.751 -4.705 -1.840
50 HB1 ALA 8 HB1 ALA 8 15.914 -6.669 -4.075
51 HB2 ALA 8 HB2 ALA 8 14.543 -6.236 -3.054
52 HB3 ALA 8 HB3 ALA 8 15.802 -7.302 -2.432
53 H ALA 9 HN ALA 9 18.603 -5.858 -3.585
54 HA ALA 9 HA ALA 9 19.771 -7.300 -1.448
55 HB1 ALA 9 HB1 ALA 9 21.417 -5.882 -3.520
56 HB2 ALA 9 HB2 ALA 9 20.387 -7.236 -3.985
57 HB3 ALA 9 HB3 ALA 9 21.668 -7.470 -2.795
58 H DBU 10 HN DHB 10 19.949 -3.904 -2.433
59 HB DBU 10 HB DHB 10 22.188 -1.284 -0.560
60 HG1 DBU 10 HG1 DHB 10 22.453 -2.988 -3.092
61 HG2 DBU 10 HG2 DHB 10 23.646 -1.853 -2.460
62 HG3 DBU 10 HG3 DHB 10 22.165 -1.251 -3.207
63 H ALA 11 HN ALA 11 18.492 -2.874 -0.319
64 HA ALA 11 HA ALA 11 18.600 -1.951 2.348
65 HB1 ALA 11 HB1 ALA 11 16.322 -1.997 2.261
66 HB2 ALA 11 HB2 ALA 11 16.277 -3.603 1.534
67 HB3 ALA 11 HB3 ALA 11 16.620 -2.191 0.534
68 H ALA 12 HN ALA 12 18.405 -5.198 0.957
69 HA ALA 12 HA ALA 12 17.988 -6.595 3.383
70 HB1 ALA 12 HB1 ALA 12 18.728 -7.262 0.612
71 HB2 ALA 12 HB2 ALA 12 17.613 -8.075 1.711
72 HB3 ALA 12 HB3 ALA 12 19.346 -8.383 1.825
73 H ALA 13 HN ALA 13 20.907 -5.558 1.686
74 HA ALA 13 HA ALA 13 22.779 -6.949 3.286
75 HB1 ALA 13 HB1 ALA 13 23.948 -6.153 1.525
76 HB2 ALA 13 HB2 ALA 13 24.110 -4.682 2.485
77 HB3 ALA 13 HB3 ALA 13 22.832 -4.810 1.277
78 H ALA 14 HN ALA 14 21.231 -3.792 3.602
79 HA ALA 14 HA ALA 14 22.795 -2.827 5.747
80 HB2 ALA 14 HB2 ALA 14 20.822 -1.764 4.211
81 HB3 ALA 14 HB3 ALA 14 19.946 -2.054 5.713
82 H DHA 15 HN DHA 15 19.918 -4.887 5.621
83 HB1 DHA 15 HB1 DHA 15 17.726 -5.997 6.821
84 HB2 DHA 15 HB2 DHA 15 18.106 -6.640 8.523
85 H ALA 16 HN ALA 16 21.988 -6.508 7.512
86 HA ALA 16 HA ALA 16 22.394 -6.468 10.405
87 HB1 ALA 16 HB1 ALA 16 24.673 -7.375 8.864
88 HB2 ALA 16 HB2 ALA 16 23.197 -8.193 8.351
89 HB3 ALA 16 HB3 ALA 16 23.698 -8.255 10.042
90 H ALA 17 HN ALA 17 24.139 -5.328 7.492
91 HA ALA 17 HA ALA 17 26.139 -3.884 8.837
92 HB1 ALA 17 HB1 ALA 17 25.584 -2.514 6.437
93 HB2 ALA 17 HB2 ALA 17 25.217 -4.212 6.129
94 HB3 ALA 17 HB3 ALA 17 26.817 -3.746 6.708
95 H CYS 18 HN CYS 18 23.031 -2.753 7.517
96 HA CYS 18 HA CYS 18 23.287 -0.058 8.276
97 HB2 CYS 18 HB2 CYS 18 20.883 -1.824 7.804
98 HB3 CYS 18 HB1 CYS 18 20.743 -0.109 8.183
99 H GLY 19 HN GLY 19 22.074 -2.891 9.992
100 HA2 GLY 19 HA2 GLY 19 20.980 -1.580 12.232
101 HA3 GLY 19 HA1 GLY 19 21.571 -3.239 12.211
102 H TRP 20 HN TRP 20 24.265 -2.713 11.527
103 HA TRP 20 HA TRP 20 25.393 -2.231 14.068
104 HB2 TRP 20 HB2 TRP 20 26.594 -2.281 11.301
105 HB3 TRP 20 HB1 TRP 20 27.559 -2.082 12.761
106 HD1 TRP 20 HD1 TRP 20 25.940 -4.643 10.637
107 HE1 TRP 20 HE1 TRP 20 26.148 -6.977 11.744
108 HE3 TRP 20 HE3 TRP 20 27.543 -3.324 15.315
109 HZ2 TRP 20 HZ2 TRP 20 26.868 -8.119 14.203
110 HZ3 TRP 20 HZ3 TRP 20 27.976 -5.079 17.018
111 HH2 TRP 20 HH2 TRP 20 27.633 -7.472 16.441
112 H VAL 21 HN VAL 21 25.018 -0.155 11.223
113 HA VAL 21 HA VAL 21 25.702 2.065 10.921
114 HB VAL 21 HB VAL 21 23.384 2.019 11.826
115 HG11 VAL 21 HG11 VAL 21 23.582 1.210 14.035
116 HG12 VAL 21 HG12 VAL 21 23.286 2.934 14.262
117 HG13 VAL 21 HG13 VAL 21 24.923 2.294 14.402
118 HG21 VAL 21 HG21 VAL 21 24.741 4.428 12.953
119 HG22 VAL 21 HG22 VAL 21 23.315 4.328 11.919
120 HG23 VAL 21 HG23 VAL 21 24.920 4.083 11.232
121 H GLY 22 HN GLY 22 27.778 0.721 12.226
122 HA2 GLY 22 HA2 GLY 22 28.621 1.808 14.667
123 HA3 GLY 22 HA1 GLY 22 29.693 1.170 13.421
124 H GLY 23 HN GLY 23 27.935 3.471 11.890
125 HA2 GLY 23 HA2 GLY 23 29.209 5.874 12.829
126 HA3 GLY 23 HA1 GLY 23 29.954 5.254 11.357
127 H GLY 24 HN GLY 24 26.586 5.456 12.521
128 HA2 GLY 24 HA2 GLY 24 24.681 6.219 11.479
129 HA3 GLY 24 HA1 GLY 24 25.715 7.487 10.818
130 H ILE 25 HN ILE 25 23.731 4.966 10.005
131 HA ILE 25 HA ILE 25 24.752 3.469 8.018
132 HB ILE 25 HB ILE 25 22.270 3.984 8.785
133 HG12 ILE 25 HG12 ILE 25 23.058 2.048 7.425
134 HG13 ILE 25 HG11 ILE 25 21.491 2.653 6.879
135 HG21 ILE 25 HG21 ILE 25 22.290 5.297 6.079
136 HG22 ILE 25 HG22 ILE 25 22.454 6.238 7.562
137 HG23 ILE 25 HG23 ILE 25 21.002 5.278 7.283
138 HD11 ILE 25 HD11 ILE 25 22.568 2.553 4.844
139 HD12 ILE 25 HD12 ILE 25 24.160 2.832 5.552
140 HD13 ILE 25 HD13 ILE 25 23.044 4.180 5.334
141 H PHE 26 HN PHE 26 24.390 6.917 7.990
142 HA PHE 26 HA PHE 26 24.623 7.458 5.239
143 HB2 PHE 26 HB2 PHE 26 24.048 9.192 6.875
144 HB3 PHE 26 HB1 PHE 26 25.658 9.074 7.585
145 HD1 PHE 26 HD1 PHE 26 23.864 9.829 4.396
146 HD2 PHE 26 HD2 PHE 26 27.477 10.282 6.675
147 HE1 PHE 26 HE1 PHE 26 24.731 11.424 2.705
148 HE2 PHE 26 HE2 PHE 26 28.344 11.877 4.984
149 HZ PHE 26 HZ PHE 26 26.970 12.448 3.000
150 H THR 27 HN THR 27 27.156 7.018 7.731
151 HA THR 27 HA THR 27 29.360 7.591 6.082
152 HB THR 27 HB THR 27 29.163 5.664 8.410
153 HG1 THR 27 HG1 THR 27 28.601 7.991 8.638
154 HG21 THR 27 HG21 THR 27 31.620 6.163 8.606
155 HG22 THR 27 HG22 THR 27 31.527 6.963 7.036
156 HG23 THR 27 HG23 THR 27 31.189 5.236 7.169
157 H GLY 28 HN GLY 28 27.708 4.514 6.766
158 HA2 GLY 28 HA2 GLY 28 29.407 2.892 5.175
159 HA3 GLY 28 HA1 GLY 28 27.768 2.481 5.681
160 H VAL 29 HN VAL 29 26.433 4.682 4.484
161 HA VAL 29 HA VAL 29 25.997 3.688 1.878
162 HB VAL 29 HB VAL 29 25.167 6.207 3.309
163 HG11 VAL 29 HG11 VAL 29 25.434 6.485 0.777
164 HG12 VAL 29 HG12 VAL 29 23.841 6.835 1.446
165 HG13 VAL 29 HG13 VAL 29 24.137 5.303 0.621
166 HG21 VAL 29 HG21 VAL 29 23.194 5.083 3.714
167 HG22 VAL 29 HG22 VAL 29 24.279 3.695 3.630
168 HG23 VAL 29 HG23 VAL 29 23.306 4.141 2.228
169 H DBU 30 HN DHB 30 27.734 6.558 3.081
170 HB DBU 30 HB DHB 30 29.533 8.931 0.461
171 HG1 DBU 30 HG1 DHB 30 27.582 10.234 0.592
172 HG2 DBU 30 HG2 DHB 30 27.283 9.500 2.170
173 HG3 DBU 30 HG3 DHB 30 26.611 8.765 0.713
174 H VAL 31 HN VAL 31 29.950 5.568 3.063
175 HA VAL 31 HA VAL 31 32.562 5.504 1.994
176 HB VAL 31 HB VAL 31 31.025 3.924 4.005
177 HG11 VAL 31 HG11 VAL 31 33.614 3.048 2.703
178 HG12 VAL 31 HG12 VAL 31 32.121 2.123 2.859
179 HG13 VAL 31 HG13 VAL 31 33.094 2.475 4.287
180 HG21 VAL 31 HG21 VAL 31 32.145 5.430 5.258
181 HG22 VAL 31 HG22 VAL 31 33.135 5.924 3.883
182 HG23 VAL 31 HG23 VAL 31 33.619 4.543 4.867
183 H VAL 32 HN VAL 32 29.821 3.248 1.671
184 HA VAL 32 HA VAL 32 31.145 1.356 0.057
185 HB VAL 32 HB VAL 32 29.026 0.911 1.237
186 HG11 VAL 32 HG11 VAL 32 28.006 3.144 0.832
187 HG12 VAL 32 HG12 VAL 32 26.930 1.829 0.358
188 HG13 VAL 32 HG13 VAL 32 27.818 2.728 -0.871
189 HG21 VAL 32 HG21 VAL 32 28.925 0.667 -1.780
190 HG22 VAL 32 HG22 VAL 32 27.878 -0.219 -0.671
191 HG23 VAL 32 HG23 VAL 32 29.619 -0.500 -0.657
192 H VAL 33 HN VAL 33 29.124 4.159 -0.778
193 HA VAL 33 HA VAL 33 29.193 3.762 -3.576
194 HB VAL 33 HB VAL 33 28.582 6.177 -3.684
195 HG11 VAL 33 HG11 VAL 33 27.194 4.037 -2.329
196 HG12 VAL 33 HG12 VAL 33 26.530 5.307 -3.356
197 HG13 VAL 33 HG13 VAL 33 26.737 5.588 -1.628
198 HG21 VAL 33 HG21 VAL 33 29.050 5.988 -0.693
199 HG22 VAL 33 HG22 VAL 33 28.228 7.333 -1.485
200 HG23 VAL 33 HG23 VAL 33 29.928 7.011 -1.832
201 H DAL 34 HN DAL 34 31.227 5.673 -1.378
202 HA DAL 34 HA DAL 34 33.354 6.511 -1.655
203 HB1 DAL 34 HB2 DAL 34 33.042 6.664 -4.606
204 HB2 DAL 34 HB3 DAL 34 31.893 7.573 -3.640
205 H LEU 35 HN LEU 35 33.151 3.829 -1.413
206 HA LEU 35 HA LEU 35 35.552 2.840 -2.286
207 HB2 LEU 35 HB2 LEU 35 33.137 1.799 -1.053
208 HB3 LEU 35 HB1 LEU 35 33.855 0.613 -2.142
209 HG LEU 35 HG LEU 35 34.909 0.267 -0.020
210 HD11 LEU 35 HD11 LEU 35 37.030 2.029 -1.048
211 HD12 LEU 35 HD12 LEU 35 36.344 0.949 -2.260
212 HD13 LEU 35 HD13 LEU 35 37.050 0.285 -0.785
213 HD21 LEU 35 HD21 LEU 35 34.717 3.220 0.100
214 HD22 LEU 35 HD22 LEU 35 36.191 2.540 0.787
215 HD23 LEU 35 HD23 LEU 35 34.618 2.033 1.400
216 H LYS 36 HN LYS 36 32.739 3.408 -4.120
217 HA LYS 36 HA LYS 36 33.579 1.550 -6.235
218 HB2 LYS 36 HB2 LYS 36 31.057 3.140 -5.859
219 HB3 LYS 36 HB1 LYS 36 31.405 2.144 -7.275
220 HG2 LYS 36 HG2 LYS 36 31.725 0.183 -5.790
221 HG3 LYS 36 HG1 LYS 36 31.290 1.188 -4.405
222 HD2 LYS 36 HD2 LYS 36 29.119 1.691 -5.495
223 HD3 LYS 36 HD1 LYS 36 29.554 0.586 -6.798
224 HE2 LYS 36 HE2 LYS 36 29.299 -0.163 -3.872
225 HE3 LYS 36 HE1 LYS 36 28.123 -0.539 -5.131
226 HZ1 LYS 36 HZ1 LYS 36 30.929 -1.346 -5.476
227 HZ2 LYS 36 HZ2 LYS 36 29.521 -2.045 -6.120
228 HZ3 LYS 36 HZ3 LYS 36 29.913 -2.273 -4.482
229 H HIS 37 HN HIS 37 32.597 4.965 -5.902
230 HA HIS 37 HA HIS 37 33.917 5.564 -8.460
231 HB2 HIS 37 HB2 HIS 37 32.151 7.334 -6.753
232 HB3 HIS 37 HB1 HIS 37 32.679 7.651 -8.409
233 HD2 HIS 37 HD2 HIS 37 30.099 5.364 -6.511
234 HE1 HIS 37 HE1 HIS 37 29.455 4.914 -10.659
235 HE2 HIS 37 HE2 HIS 37 28.553 4.348 -8.354
236 H CYS 38 HN CYS 38 34.404 5.873 -5.101
237 HA CYS 38 HA CYS 38 36.241 8.122 -5.320
238 HB2 CYS 38 HB2 CYS 38 35.419 6.451 -2.927
239 HB3 CYS 38 HB1 CYS 38 36.408 7.903 -2.879
Start of MODEL 8
1 H1 ABA 1 HT1 ABU 1 12.261 -10.186 -10.909
2 H2 ABA 1 HT2 ABU 1 13.769 -10.529 -11.614
3 H3 ABA 1 HT3 ABU 1 13.003 -9.045 -11.922
4 HA ABA 1 HA ABU 1 13.135 -8.636 -9.436
5 HB2 ABA 1 HB2 ABU 1 15.527 -10.382 -9.387
6 HG1 ABA 1 HG1 ABU 1 14.261 -12.104 -10.302
7 HG3 ABA 1 HG3 ABU 1 13.847 -12.267 -8.596
8 HG2 ABA 1 HG2 ABU 1 12.741 -11.446 -9.698
9 H DBU 2 HN DHB 2 16.304 -9.683 -10.627
10 HB DBU 2 HB DHB 2 18.799 -7.372 -12.479
11 HG1 DBU 2 HG1 DHB 2 17.201 -9.977 -12.884
12 HG2 DBU 2 HG2 DHB 2 18.956 -9.884 -13.039
13 HG3 DBU 2 HG3 DHB 2 17.923 -9.037 -14.191
14 HA PRO 3 HA PRO 3 18.235 -3.965 -10.027
15 HB2 PRO 3 HB2 PRO 3 15.688 -2.971 -11.208
16 HB3 PRO 3 HB1 PRO 3 17.304 -2.274 -11.294
17 HG2 PRO 3 HG2 PRO 3 16.232 -3.481 -13.373
18 HG3 PRO 3 HG1 PRO 3 17.957 -3.672 -12.999
19 HD2 PRO 3 HD2 PRO 3 15.710 -5.580 -12.549
20 HD3 PRO 3 HD1 PRO 3 17.383 -5.912 -13.016
21 H VAL 4 HN VAL 4 14.746 -4.780 -10.069
22 HA VAL 4 HA VAL 4 14.120 -3.443 -7.654
23 HB VAL 4 HB VAL 4 12.076 -4.972 -7.700
24 HG11 VAL 4 HG11 VAL 4 12.864 -2.788 -9.360
25 HG12 VAL 4 HG12 VAL 4 11.232 -3.244 -8.869
26 HG13 VAL 4 HG13 VAL 4 11.925 -3.903 -10.351
27 HG21 VAL 4 HG21 VAL 4 13.420 -6.734 -9.041
28 HG22 VAL 4 HG22 VAL 4 13.099 -5.712 -10.439
29 HG23 VAL 4 HG23 VAL 4 11.759 -6.422 -9.541
30 H CYS 5 HN CYS 5 15.045 -6.777 -8.379
31 HA CYS 5 HA CYS 5 14.642 -7.815 -5.778
32 HB2 CYS 5 HB2 CYS 5 16.174 -8.670 -8.198
33 HB3 CYS 5 HB1 CYS 5 16.502 -9.477 -6.660
34 H ALA 6 HN ALA 6 17.450 -6.344 -7.360
35 HA ALA 6 HA ALA 6 19.308 -6.812 -5.285
36 HB1 ALA 6 HB1 ALA 6 19.141 -4.957 -7.616
37 HB2 ALA 6 HB2 ALA 6 20.365 -6.164 -7.224
38 HB3 ALA 6 HB3 ALA 6 20.342 -4.623 -6.367
39 H VAL 7 HN VAL 7 17.038 -4.160 -5.886
40 HA VAL 7 HA VAL 7 17.952 -2.424 -3.865
41 HB VAL 7 HB VAL 7 15.240 -2.781 -5.151
42 HG11 VAL 7 HG11 VAL 7 16.253 -0.658 -3.245
43 HG12 VAL 7 HG12 VAL 7 14.915 -1.772 -2.971
44 HG13 VAL 7 HG13 VAL 7 14.777 -0.513 -4.197
45 HG21 VAL 7 HG21 VAL 7 16.544 -0.291 -5.686
46 HG22 VAL 7 HG22 VAL 7 16.168 -1.587 -6.822
47 HG23 VAL 7 HG23 VAL 7 17.709 -1.585 -5.966
48 H ALA 8 HN ALA 8 15.439 -4.942 -3.856
49 HA ALA 8 HA ALA 8 14.634 -4.551 -1.165
50 HB1 ALA 8 HB1 ALA 8 13.785 -6.120 -3.287
51 HB2 ALA 8 HB2 ALA 8 13.125 -6.146 -1.652
52 HB3 ALA 8 HB3 ALA 8 14.378 -7.297 -2.115
53 H ALA 9 HN ALA 9 17.078 -6.609 -2.677
54 HA ALA 9 HA ALA 9 17.747 -8.116 -0.374
55 HB1 ALA 9 HB1 ALA 9 19.122 -7.498 -2.967
56 HB2 ALA 9 HB2 ALA 9 18.553 -9.048 -2.346
57 HB3 ALA 9 HB3 ALA 9 20.009 -8.312 -1.678
58 H DBU 10 HN DHB 10 18.904 -5.019 -1.642
59 HB DBU 10 HB DHB 10 21.797 -3.008 0.096
60 HG1 DBU 10 HG1 DHB 10 21.998 -5.156 -1.967
61 HG2 DBU 10 HG2 DHB 10 23.055 -3.759 -1.759
62 HG3 DBU 10 HG3 DHB 10 21.539 -3.594 -2.646
63 H ALA 11 HN ALA 11 17.743 -3.481 0.237
64 HA ALA 11 HA ALA 11 18.008 -2.256 2.773
65 HB1 ALA 11 HB1 ALA 11 15.889 -2.780 0.861
66 HB2 ALA 11 HB2 ALA 11 16.039 -1.471 2.033
67 HB3 ALA 11 HB3 ALA 11 15.328 -3.010 2.518
68 H ALA 12 HN ALA 12 17.027 -5.502 1.774
69 HA ALA 12 HA ALA 12 16.134 -6.409 4.298
70 HB1 ALA 12 HB1 ALA 12 15.715 -7.553 2.107
71 HB2 ALA 12 HB2 ALA 12 16.308 -8.632 3.369
72 HB3 ALA 12 HB3 ALA 12 17.403 -8.065 2.107
73 H ALA 13 HN ALA 13 19.320 -6.392 2.760
74 HA ALA 13 HA ALA 13 20.663 -7.952 4.704
75 HB1 ALA 13 HB1 ALA 13 22.450 -6.021 3.613
76 HB2 ALA 13 HB2 ALA 13 21.337 -6.511 2.335
77 HB3 ALA 13 HB3 ALA 13 22.292 -7.725 3.186
78 H ALA 14 HN ALA 14 20.001 -4.496 4.441
79 HA ALA 14 HA ALA 14 21.646 -3.640 6.571
80 HB2 ALA 14 HB2 ALA 14 20.132 -2.365 4.715
81 HB3 ALA 14 HB3 ALA 14 19.124 -2.166 6.150
82 H DHA 15 HN DHA 15 18.324 -4.861 6.463
83 HB1 DHA 15 HB1 DHA 15 15.843 -5.111 7.619
84 HB2 DHA 15 HB2 DHA 15 15.955 -5.564 9.416
85 H ALA 16 HN ALA 16 19.803 -6.606 8.700
86 HA ALA 16 HA ALA 16 20.049 -6.295 11.596
87 HB1 ALA 16 HB1 ALA 16 21.843 -7.991 9.877
88 HB2 ALA 16 HB2 ALA 16 20.218 -8.531 10.296
89 HB3 ALA 16 HB3 ALA 16 21.398 -8.213 11.568
90 H ALA 17 HN ALA 17 22.199 -6.058 8.742
91 HA ALA 17 HA ALA 17 24.409 -4.957 10.077
92 HB1 ALA 17 HB1 ALA 17 23.475 -4.746 7.212
93 HB2 ALA 17 HB2 ALA 17 24.721 -5.805 7.872
94 HB3 ALA 17 HB3 ALA 17 25.004 -4.068 7.770
95 H CYS 18 HN CYS 18 21.789 -3.308 8.312
96 HA CYS 18 HA CYS 18 22.679 -0.678 8.776
97 HB2 CYS 18 HB2 CYS 18 19.930 -1.823 8.259
98 HB3 CYS 18 HB1 CYS 18 20.252 -0.092 8.358
99 H GLY 19 HN GLY 19 20.560 -2.825 10.629
100 HA2 GLY 19 HA2 GLY 19 19.741 -0.939 12.570
101 HA3 GLY 19 HA1 GLY 19 19.746 -2.687 12.780
102 H TRP 20 HN TRP 20 22.389 -3.330 12.580
103 HA TRP 20 HA TRP 20 23.393 -2.618 15.137
104 HB2 TRP 20 HB2 TRP 20 24.674 -4.009 12.779
105 HB3 TRP 20 HB1 TRP 20 25.472 -3.807 14.337
106 HD1 TRP 20 HD1 TRP 20 23.207 -6.069 12.528
107 HE1 TRP 20 HE1 TRP 20 22.148 -7.779 14.150
108 HE3 TRP 20 HE3 TRP 20 24.431 -3.973 17.027
109 HZ2 TRP 20 HZ2 TRP 20 21.849 -8.212 16.893
110 HZ3 TRP 20 HZ3 TRP 20 23.730 -5.079 19.135
111 HH2 TRP 20 HH2 TRP 20 22.439 -7.198 19.051
112 H VAL 21 HN VAL 21 24.276 -1.629 11.850
113 HA VAL 21 HA VAL 21 26.328 0.178 12.808
114 HB VAL 21 HB VAL 21 25.158 -0.363 10.076
115 HG11 VAL 21 HG11 VAL 21 26.291 1.405 9.228
116 HG12 VAL 21 HG12 VAL 21 27.685 1.121 10.270
117 HG13 VAL 21 HG13 VAL 21 26.294 2.013 10.882
118 HG21 VAL 21 HG21 VAL 21 27.463 -1.326 11.675
119 HG22 VAL 21 HG22 VAL 21 27.819 -0.940 9.992
120 HG23 VAL 21 HG23 VAL 21 26.579 -2.133 10.381
121 H GLY 22 HN GLY 22 26.072 2.275 13.283
122 HA2 GLY 22 HA2 GLY 22 23.447 3.440 13.337
123 HA3 GLY 22 HA1 GLY 22 24.949 4.228 13.810
124 H GLY 23 HN GLY 23 24.725 2.738 10.688
125 HA2 GLY 23 HA2 GLY 23 24.277 3.652 8.574
126 HA3 GLY 23 HA1 GLY 23 24.004 5.218 9.332
127 H GLY 24 HN GLY 24 26.754 4.164 10.712
128 HA2 GLY 24 HA2 GLY 24 28.428 5.989 9.327
129 HA3 GLY 24 HA1 GLY 24 28.960 4.799 10.512
130 H ILE 25 HN ILE 25 28.048 2.472 9.176
131 HA ILE 25 HA ILE 25 30.244 1.970 7.456
132 HB ILE 25 HB ILE 25 28.687 0.366 8.890
133 HG12 ILE 25 HG12 ILE 25 30.795 -0.221 7.686
134 HG13 ILE 25 HG11 ILE 25 29.585 -1.502 7.592
135 HG21 ILE 25 HG21 ILE 25 26.682 0.867 7.477
136 HG22 ILE 25 HG22 ILE 25 27.095 -0.846 7.504
137 HG23 ILE 25 HG23 ILE 25 27.513 0.140 6.102
138 HD11 ILE 25 HD11 ILE 25 30.394 0.466 5.453
139 HD12 ILE 25 HD12 ILE 25 28.858 -0.397 5.374
140 HD13 ILE 25 HD13 ILE 25 30.376 -1.295 5.370
141 H PHE 26 HN PHE 26 26.815 2.604 6.867
142 HA PHE 26 HA PHE 26 26.805 2.164 4.089
143 HB2 PHE 26 HB2 PHE 26 24.745 2.401 5.413
144 HB3 PHE 26 HB1 PHE 26 25.122 4.100 5.699
145 HD1 PHE 26 HD1 PHE 26 24.686 1.644 2.898
146 HD2 PHE 26 HD2 PHE 26 24.342 5.723 4.203
147 HE1 PHE 26 HE1 PHE 26 23.626 2.246 0.738
148 HE2 PHE 26 HE2 PHE 26 23.281 6.324 2.043
149 HZ PHE 26 HZ PHE 26 22.924 4.586 0.310
150 H THR 27 HN THR 27 27.379 5.132 5.964
151 HA THR 27 HA THR 27 27.744 6.826 3.717
152 HB THR 27 HB THR 27 28.818 8.351 5.367
153 HG1 THR 27 HG1 THR 27 28.263 7.002 7.569
154 HG21 THR 27 HG21 THR 27 26.687 8.919 5.794
155 HG22 THR 27 HG22 THR 27 26.629 7.680 7.047
156 HG23 THR 27 HG23 THR 27 26.156 7.286 5.395
157 H GLY 28 HN GLY 28 29.892 4.728 5.544
158 HA2 GLY 28 HA2 GLY 28 32.347 5.735 4.542
159 HA3 GLY 28 HA1 GLY 28 32.098 4.135 5.232
160 H VAL 29 HN VAL 29 30.207 3.108 3.446
161 HA VAL 29 HA VAL 29 31.861 2.204 1.340
162 HB VAL 29 HB VAL 29 29.636 1.241 2.468
163 HG11 VAL 29 HG11 VAL 29 28.231 3.045 1.446
164 HG12 VAL 29 HG12 VAL 29 27.733 1.425 0.963
165 HG13 VAL 29 HG13 VAL 29 28.665 2.429 -0.148
166 HG21 VAL 29 HG21 VAL 29 30.359 0.755 -0.434
167 HG22 VAL 29 HG22 VAL 29 29.581 -0.383 0.666
168 HG23 VAL 29 HG23 VAL 29 31.255 0.098 0.935
169 H DBU 30 HN DHB 30 29.219 4.584 1.446
170 HB DBU 30 HB DHB 30 28.181 6.447 -1.892
171 HG1 DBU 30 HG1 DHB 30 26.672 4.531 -0.347
172 HG2 DBU 30 HG2 DHB 30 27.645 3.599 -1.485
173 HG3 DBU 30 HG3 DHB 30 26.513 4.813 -2.081
174 H VAL 31 HN VAL 31 30.585 6.559 1.628
175 HA VAL 31 HA VAL 31 31.570 8.942 0.434
176 HB VAL 31 HB VAL 31 32.199 7.509 3.014
177 HG11 VAL 31 HG11 VAL 31 34.016 8.804 3.284
178 HG12 VAL 31 HG12 VAL 31 33.060 10.250 2.959
179 HG13 VAL 31 HG13 VAL 31 33.821 9.378 1.629
180 HG21 VAL 31 HG21 VAL 31 30.676 8.948 3.959
181 HG22 VAL 31 HG22 VAL 31 30.014 8.949 2.325
182 HG23 VAL 31 HG23 VAL 31 31.073 10.259 2.848
183 H VAL 32 HN VAL 32 33.101 5.835 1.289
184 HA VAL 32 HA VAL 32 35.709 6.529 0.438
185 HB VAL 32 HB VAL 32 34.295 3.876 0.760
186 HG11 VAL 32 HG11 VAL 32 35.982 3.374 -0.797
187 HG12 VAL 32 HG12 VAL 32 36.748 3.042 0.756
188 HG13 VAL 32 HG13 VAL 32 37.101 4.543 -0.099
189 HG21 VAL 32 HG21 VAL 32 34.822 4.166 2.928
190 HG22 VAL 32 HG22 VAL 32 35.513 5.744 2.552
191 HG23 VAL 32 HG23 VAL 32 36.527 4.302 2.497
192 H VAL 33 HN VAL 33 33.092 4.757 -1.217
193 HA VAL 33 HA VAL 33 34.352 4.135 -3.584
194 HB VAL 33 HB VAL 33 32.171 3.318 -3.373
195 HG11 VAL 33 HG11 VAL 33 31.693 5.532 -1.843
196 HG12 VAL 33 HG12 VAL 33 30.445 4.413 -2.373
197 HG13 VAL 33 HG13 VAL 33 30.743 5.896 -3.279
198 HG21 VAL 33 HG21 VAL 33 31.505 5.635 -5.131
199 HG22 VAL 33 HG22 VAL 33 31.193 3.918 -5.384
200 HG23 VAL 33 HG23 VAL 33 32.818 4.564 -5.615
201 H DAL 34 HN DAL 34 32.199 6.949 -3.280
202 HA DAL 34 HA DAL 34 32.501 9.115 -4.020
203 HB1 DAL 34 HB2 DAL 34 33.444 7.868 -6.548
204 HB2 DAL 34 HB3 DAL 34 31.784 7.695 -6.027
205 H LEU 35 HN LEU 35 34.504 8.701 -2.430
206 HA LEU 35 HA LEU 35 36.560 10.407 -3.291
207 HB2 LEU 35 HB2 LEU 35 36.080 8.632 -0.945
208 HB3 LEU 35 HB1 LEU 35 37.719 9.214 -1.191
209 HG LEU 35 HG LEU 35 36.568 10.803 0.232
210 HD11 LEU 35 HD11 LEU 35 36.409 12.127 -2.458
211 HD12 LEU 35 HD12 LEU 35 37.969 11.560 -1.862
212 HD13 LEU 35 HD13 LEU 35 37.057 12.759 -0.944
213 HD21 LEU 35 HD21 LEU 35 34.339 11.065 0.060
214 HD22 LEU 35 HD22 LEU 35 34.334 10.076 -1.401
215 HD23 LEU 35 HD23 LEU 35 34.552 11.822 -1.519
216 H LYS 36 HN LYS 36 36.329 6.898 -3.190
217 HA LYS 36 HA LYS 36 39.013 6.297 -3.785
218 HB2 LYS 36 HB2 LYS 36 36.429 4.809 -4.201
219 HB3 LYS 36 HB1 LYS 36 37.972 4.141 -4.730
220 HG2 LYS 36 HG2 LYS 36 37.480 5.112 -1.906
221 HG3 LYS 36 HG1 LYS 36 37.252 3.435 -2.403
222 HD2 LYS 36 HD2 LYS 36 39.598 3.336 -3.148
223 HD3 LYS 36 HD1 LYS 36 39.828 5.016 -2.658
224 HE2 LYS 36 HE2 LYS 36 39.285 4.418 -0.330
225 HE3 LYS 36 HE1 LYS 36 39.048 2.739 -0.814
226 HZ1 LYS 36 HZ1 LYS 36 41.225 2.379 -0.803
227 HZ2 LYS 36 HZ2 LYS 36 41.402 3.880 -0.026
228 HZ3 LYS 36 HZ3 LYS 36 41.550 3.772 -1.715
229 H HIS 37 HN HIS 37 36.222 7.011 -5.852
230 HA HIS 37 HA HIS 37 38.115 7.165 -8.125
231 HB2 HIS 37 HB2 HIS 37 35.265 6.147 -8.167
232 HB3 HIS 37 HB1 HIS 37 36.279 6.389 -9.593
233 HD2 HIS 37 HD2 HIS 37 35.745 3.756 -6.798
234 HE1 HIS 37 HE1 HIS 37 39.129 2.540 -9.012
235 HE2 HIS 37 HE2 HIS 37 37.462 1.836 -7.230
236 H CYS 38 HN CYS 38 34.721 8.037 -7.446
237 HA CYS 38 HA CYS 38 34.946 10.444 -9.013
238 HB2 CYS 38 HB2 CYS 38 32.648 10.548 -8.874
239 HB3 CYS 38 HB1 CYS 38 32.891 8.824 -8.595
Start of MODEL 9
1 H1 ABA 1 HT1 ABU 1 14.118 -13.410 -10.338
2 H2 ABA 1 HT2 ABU 1 15.689 -12.999 -10.839
3 H3 ABA 1 HT3 ABU 1 14.350 -12.147 -11.446
4 HA ABA 1 HA ABU 1 13.919 -11.642 -8.940
5 HB2 ABA 1 HB2 ABU 1 16.874 -12.278 -9.131
6 HG1 ABA 1 HG1 ABU 1 15.899 -14.223 -8.365
7 HG3 ABA 1 HG3 ABU 1 16.046 -13.367 -6.830
8 HG2 ABA 1 HG2 ABU 1 14.505 -13.381 -7.688
9 H DBU 2 HN DHB 2 17.066 -10.733 -10.317
10 HB DBU 2 HB DHB 2 17.614 -7.493 -12.423
11 HG1 DBU 2 HG1 DHB 2 17.093 -9.362 -14.105
12 HG2 DBU 2 HG2 DHB 2 17.488 -10.527 -12.841
13 HG3 DBU 2 HG3 DHB 2 18.742 -9.469 -13.489
14 HA PRO 3 HA PRO 3 16.533 -5.070 -9.043
15 HB2 PRO 3 HB2 PRO 3 14.388 -3.800 -10.179
16 HB3 PRO 3 HB1 PRO 3 16.028 -3.698 -10.809
17 HG2 PRO 3 HG2 PRO 3 13.730 -5.320 -11.704
18 HG3 PRO 3 HG1 PRO 3 14.969 -4.473 -12.654
19 HD2 PRO 3 HD2 PRO 3 15.037 -7.114 -12.207
20 HD3 PRO 3 HD1 PRO 3 16.502 -6.146 -12.399
21 H VAL 4 HN VAL 4 13.646 -6.939 -9.872
22 HA VAL 4 HA VAL 4 11.973 -6.012 -7.788
23 HB VAL 4 HB VAL 4 12.014 -8.624 -9.313
24 HG11 VAL 4 HG11 VAL 4 9.752 -8.982 -8.441
25 HG12 VAL 4 HG12 VAL 4 9.858 -7.492 -7.503
26 HG13 VAL 4 HG13 VAL 4 10.897 -8.861 -7.104
27 HG21 VAL 4 HG21 VAL 4 10.495 -7.621 -10.766
28 HG22 VAL 4 HG22 VAL 4 11.519 -6.245 -10.357
29 HG23 VAL 4 HG23 VAL 4 9.959 -6.450 -9.562
30 H CYS 5 HN CYS 5 14.065 -8.888 -8.007
31 HA CYS 5 HA CYS 5 13.593 -9.556 -5.221
32 HB2 CYS 5 HB2 CYS 5 14.823 -11.520 -5.636
33 HB3 CYS 5 HB1 CYS 5 13.975 -11.209 -7.149
34 H ALA 6 HN ALA 6 16.265 -8.361 -7.209
35 HA ALA 6 HA ALA 6 18.258 -8.282 -5.242
36 HB1 ALA 6 HB1 ALA 6 17.818 -6.417 -7.587
37 HB2 ALA 6 HB2 ALA 6 18.763 -7.906 -7.599
38 HB3 ALA 6 HB3 ALA 6 19.307 -6.523 -6.649
39 H VAL 7 HN VAL 7 15.882 -5.780 -6.167
40 HA VAL 7 HA VAL 7 16.748 -3.847 -4.292
41 HB VAL 7 HB VAL 7 14.101 -4.262 -5.692
42 HG11 VAL 7 HG11 VAL 7 13.984 -1.705 -5.015
43 HG12 VAL 7 HG12 VAL 7 15.016 -2.241 -3.689
44 HG13 VAL 7 HG13 VAL 7 13.421 -2.958 -3.910
45 HG21 VAL 7 HG21 VAL 7 15.936 -3.707 -7.191
46 HG22 VAL 7 HG22 VAL 7 16.460 -2.404 -6.127
47 HG23 VAL 7 HG23 VAL 7 14.928 -2.275 -6.991
48 H ALA 8 HN ALA 8 14.157 -6.296 -4.192
49 HA ALA 8 HA ALA 8 13.160 -5.615 -1.639
50 HB1 ALA 8 HB1 ALA 8 11.754 -7.015 -2.866
51 HB2 ALA 8 HB2 ALA 8 12.451 -8.129 -1.689
52 HB3 ALA 8 HB3 ALA 8 13.072 -8.088 -3.340
53 H ALA 9 HN ALA 9 15.641 -7.950 -2.649
54 HA ALA 9 HA ALA 9 16.159 -9.007 -0.074
55 HB1 ALA 9 HB1 ALA 9 18.459 -8.895 -1.900
56 HB2 ALA 9 HB2 ALA 9 17.003 -9.584 -2.620
57 HB3 ALA 9 HB3 ALA 9 17.678 -10.287 -1.150
58 H DBU 10 HN DHB 10 17.478 -6.239 -1.845
59 HB DBU 10 HB DHB 10 20.366 -4.010 -0.392
60 HG1 DBU 10 HG1 DHB 10 20.375 -6.471 -2.163
61 HG2 DBU 10 HG2 DHB 10 21.687 -5.317 -1.915
62 HG3 DBU 10 HG3 DHB 10 20.339 -4.905 -2.975
63 H ALA 11 HN ALA 11 16.296 -4.357 -0.312
64 HA ALA 11 HA ALA 11 16.515 -2.694 1.965
65 HB1 ALA 11 HB1 ALA 11 14.686 -2.881 0.037
66 HB2 ALA 11 HB2 ALA 11 14.292 -2.212 1.622
67 HB3 ALA 11 HB3 ALA 11 13.878 -3.885 1.242
68 H ALA 12 HN ALA 12 15.427 -6.037 1.543
69 HA ALA 12 HA ALA 12 14.488 -6.433 4.184
70 HB1 ALA 12 HB1 ALA 12 15.705 -8.650 2.571
71 HB2 ALA 12 HB2 ALA 12 14.202 -7.899 2.037
72 HB3 ALA 12 HB3 ALA 12 14.285 -8.682 3.616
73 H ALA 13 HN ALA 13 17.661 -6.849 2.680
74 HA ALA 13 HA ALA 13 18.929 -8.105 4.880
75 HB1 ALA 13 HB1 ALA 13 19.792 -6.757 2.383
76 HB2 ALA 13 HB2 ALA 13 20.261 -8.324 3.040
77 HB3 ALA 13 HB3 ALA 13 20.986 -6.848 3.677
78 H ALA 14 HN ALA 14 18.460 -4.722 3.987
79 HA ALA 14 HA ALA 14 20.170 -3.580 5.921
80 HB2 ALA 14 HB2 ALA 14 18.690 -2.594 3.864
81 HB3 ALA 14 HB3 ALA 14 17.728 -2.067 5.246
82 H DHA 15 HN DHA 15 16.777 -4.599 6.044
83 HB1 DHA 15 HB1 DHA 15 14.305 -4.528 7.230
84 HB2 DHA 15 HB2 DHA 15 14.410 -4.638 9.078
85 H ALA 16 HN ALA 16 18.166 -6.005 8.614
86 HA ALA 16 HA ALA 16 18.453 -5.122 11.388
87 HB1 ALA 16 HB1 ALA 16 18.586 -7.599 10.264
88 HB2 ALA 16 HB2 ALA 16 19.321 -7.172 11.809
89 HB3 ALA 16 HB3 ALA 16 20.296 -7.172 10.338
90 H ALA 17 HN ALA 17 20.514 -5.547 8.502
91 HA ALA 17 HA ALA 17 22.845 -4.409 9.598
92 HB1 ALA 17 HB1 ALA 17 23.740 -4.624 7.497
93 HB2 ALA 17 HB2 ALA 17 22.278 -4.044 6.698
94 HB3 ALA 17 HB3 ALA 17 22.350 -5.693 7.316
95 H CYS 18 HN CYS 18 20.331 -2.934 7.546
96 HA CYS 18 HA CYS 18 21.400 -0.336 7.511
97 HB2 CYS 18 HB2 CYS 18 18.568 -1.348 7.222
98 HB3 CYS 18 HB1 CYS 18 19.027 0.337 6.986
99 H GLY 19 HN GLY 19 19.242 -1.962 9.769
100 HA2 GLY 19 HA2 GLY 19 18.608 0.347 11.321
101 HA3 GLY 19 HA1 GLY 19 18.391 -1.326 11.822
102 H TRP 20 HN TRP 20 21.136 -2.111 11.485
103 HA TRP 20 HA TRP 20 22.161 -1.241 14.022
104 HB2 TRP 20 HB2 TRP 20 23.295 -3.026 11.864
105 HB3 TRP 20 HB1 TRP 20 24.109 -2.708 13.397
106 HD1 TRP 20 HD1 TRP 20 20.316 -3.028 13.248
107 HE1 TRP 20 HE1 TRP 20 19.623 -5.172 14.529
108 HE3 TRP 20 HE3 TRP 20 24.897 -5.110 14.132
109 HZ2 TRP 20 HZ2 TRP 20 20.807 -7.421 15.743
110 HZ3 TRP 20 HZ3 TRP 20 25.074 -7.260 15.358
111 HH2 TRP 20 HH2 TRP 20 23.017 -8.401 16.155
112 H VAL 21 HN VAL 21 23.331 -0.930 10.663
113 HA VAL 21 HA VAL 21 25.452 0.248 10.251
114 HB VAL 21 HB VAL 21 23.343 2.383 10.211
115 HG11 VAL 21 HG11 VAL 21 25.573 2.876 9.317
116 HG12 VAL 21 HG12 VAL 21 24.394 2.812 8.008
117 HG13 VAL 21 HG13 VAL 21 25.484 1.453 8.278
118 HG21 VAL 21 HG21 VAL 21 22.237 1.359 8.362
119 HG22 VAL 21 HG22 VAL 21 22.380 0.092 9.578
120 HG23 VAL 21 HG23 VAL 21 23.485 0.123 8.204
121 H GLY 22 HN GLY 22 26.815 0.513 11.990
122 HA2 GLY 22 HA2 GLY 22 26.178 2.471 14.056
123 HA3 GLY 22 HA1 GLY 22 27.584 1.410 14.018
124 H GLY 23 HN GLY 23 27.069 2.887 11.041
125 HA2 GLY 23 HA2 GLY 23 27.792 5.054 10.267
126 HA3 GLY 23 HA1 GLY 23 28.836 5.163 11.680
127 H GLY 24 HN GLY 24 29.351 2.129 10.961
128 HA2 GLY 24 HA2 GLY 24 31.889 2.527 9.776
129 HA3 GLY 24 HA1 GLY 24 31.076 0.976 9.967
130 H ILE 25 HN ILE 25 28.747 1.578 8.440
131 HA ILE 25 HA ILE 25 29.669 0.932 5.839
132 HB ILE 25 HB ILE 25 27.331 0.572 7.073
133 HG12 ILE 25 HG12 ILE 25 28.159 -0.370 4.871
134 HG13 ILE 25 HG11 ILE 25 26.421 -0.065 4.928
135 HG21 ILE 25 HG21 ILE 25 26.775 2.970 7.123
136 HG22 ILE 25 HG22 ILE 25 25.633 2.093 6.104
137 HG23 ILE 25 HG23 ILE 25 26.920 3.048 5.369
138 HD11 ILE 25 HD11 ILE 25 28.377 1.045 3.135
139 HD12 ILE 25 HD12 ILE 25 27.653 2.346 4.082
140 HD13 ILE 25 HD13 ILE 25 26.627 1.271 3.131
141 H PHE 26 HN PHE 26 28.448 3.920 7.284
142 HA PHE 26 HA PHE 26 28.357 5.485 4.943
143 HB2 PHE 26 HB2 PHE 26 27.321 6.203 7.050
144 HB3 PHE 26 HB1 PHE 26 28.913 6.349 7.796
145 HD1 PHE 26 HD1 PHE 26 26.725 7.682 5.099
146 HD2 PHE 26 HD2 PHE 26 30.295 8.257 7.417
147 HE1 PHE 26 HE1 PHE 26 26.945 9.980 4.190
148 HE2 PHE 26 HE2 PHE 26 30.516 10.554 6.508
149 HZ PHE 26 HZ PHE 26 28.840 11.416 4.896
150 H THR 27 HN THR 27 30.968 4.954 7.303
151 HA THR 27 HA THR 27 32.837 6.754 6.251
152 HB THR 27 HB THR 27 33.305 4.078 7.592
153 HG1 THR 27 HG1 THR 27 32.893 5.118 9.357
154 HG21 THR 27 HG21 THR 27 35.529 4.498 7.564
155 HG22 THR 27 HG22 THR 27 35.295 6.214 7.901
156 HG23 THR 27 HG23 THR 27 35.156 5.613 6.249
157 H GLY 28 HN GLY 28 32.359 3.293 5.520
158 HA2 GLY 28 HA2 GLY 28 34.391 3.136 3.544
159 HA3 GLY 28 HA1 GLY 28 33.063 1.999 3.746
160 H VAL 29 HN VAL 29 30.943 3.917 3.417
161 HA VAL 29 HA VAL 29 30.680 3.877 0.598
162 HB VAL 29 HB VAL 29 29.104 5.279 2.762
163 HG11 VAL 29 HG11 VAL 29 29.146 6.067 0.152
164 HG12 VAL 29 HG12 VAL 29 27.739 6.207 1.206
165 HG13 VAL 29 HG13 VAL 29 27.888 4.833 0.110
166 HG21 VAL 29 HG21 VAL 29 28.218 2.986 1.021
167 HG22 VAL 29 HG22 VAL 29 27.631 3.457 2.616
168 HG23 VAL 29 HG23 VAL 29 29.206 2.682 2.450
169 H DBU 30 HN DHB 30 31.414 6.467 2.923
170 HB DBU 30 HB DHB 30 32.035 10.144 1.605
171 HG1 DBU 30 HG1 DHB 30 29.378 8.914 1.707
172 HG2 DBU 30 HG2 DHB 30 29.816 10.529 2.266
173 HG3 DBU 30 HG3 DHB 30 29.966 9.148 3.354
174 H VAL 31 HN VAL 31 33.868 6.423 2.549
175 HA VAL 31 HA VAL 31 36.188 7.703 1.604
176 HB VAL 31 HB VAL 31 35.730 5.643 3.295
177 HG11 VAL 31 HG11 VAL 31 36.858 4.385 0.776
178 HG12 VAL 31 HG12 VAL 31 35.232 4.109 1.393
179 HG13 VAL 31 HG13 VAL 31 36.631 3.582 2.329
180 HG21 VAL 31 HG21 VAL 31 38.390 5.570 1.981
181 HG22 VAL 31 HG22 VAL 31 37.979 5.796 3.682
182 HG23 VAL 31 HG23 VAL 31 37.857 7.149 2.557
183 H VAL 32 HN VAL 32 34.290 5.008 0.246
184 HA VAL 32 HA VAL 32 35.934 4.531 -1.990
185 HB VAL 32 HB VAL 32 33.837 3.233 -0.965
186 HG11 VAL 32 HG11 VAL 32 31.895 3.494 -2.531
187 HG12 VAL 32 HG12 VAL 32 32.691 4.911 -3.216
188 HG13 VAL 32 HG13 VAL 32 32.179 4.918 -1.530
189 HG21 VAL 32 HG21 VAL 32 34.734 1.850 -2.502
190 HG22 VAL 32 HG22 VAL 32 35.278 3.206 -3.489
191 HG23 VAL 32 HG23 VAL 32 33.641 2.577 -3.680
192 H VAL 33 HN VAL 33 33.057 6.586 -1.592
193 HA VAL 33 HA VAL 33 32.946 7.496 -4.264
194 HB VAL 33 HB VAL 33 31.613 9.384 -3.288
195 HG11 VAL 33 HG11 VAL 33 30.839 6.682 -2.162
196 HG12 VAL 33 HG12 VAL 33 30.677 7.098 -3.868
197 HG13 VAL 33 HG13 VAL 33 29.758 7.986 -2.652
198 HG21 VAL 33 HG21 VAL 33 32.283 7.964 -0.695
199 HG22 VAL 33 HG22 VAL 33 31.117 9.276 -0.866
200 HG23 VAL 33 HG23 VAL 33 32.830 9.574 -1.159
201 H DAL 34 HN DAL 34 34.558 8.761 -1.376
202 HA DAL 34 HA DAL 34 36.401 10.113 -1.205
203 HB1 DAL 34 HB2 DAL 34 34.915 11.809 -3.191
204 HB2 DAL 34 HB3 DAL 34 34.520 11.719 -1.485
205 H LEU 35 HN LEU 35 37.416 8.210 -2.430
206 HA LEU 35 HA LEU 35 39.382 9.212 -4.142
207 HB2 LEU 35 HB2 LEU 35 39.542 7.122 -2.769
208 HB3 LEU 35 HB1 LEU 35 38.457 6.333 -3.919
209 HG LEU 35 HG LEU 35 40.064 6.845 -5.750
210 HD11 LEU 35 HD11 LEU 35 41.201 8.485 -3.638
211 HD12 LEU 35 HD12 LEU 35 41.527 8.521 -5.372
212 HD13 LEU 35 HD13 LEU 35 42.418 7.411 -4.330
213 HD21 LEU 35 HD21 LEU 35 42.040 5.524 -4.264
214 HD22 LEU 35 HD22 LEU 35 40.760 4.762 -5.207
215 HD23 LEU 35 HD23 LEU 35 40.524 5.068 -3.487
216 H LYS 36 HN LYS 36 36.351 7.514 -4.830
217 HA LYS 36 HA LYS 36 36.721 7.171 -7.599
218 HB2 LYS 36 HB2 LYS 36 34.239 7.398 -5.918
219 HB3 LYS 36 HB1 LYS 36 34.195 7.088 -7.655
220 HG2 LYS 36 HG2 LYS 36 35.663 5.107 -7.315
221 HG3 LYS 36 HG1 LYS 36 35.610 5.396 -5.576
222 HD2 LYS 36 HD2 LYS 36 33.174 5.131 -5.591
223 HD3 LYS 36 HD1 LYS 36 33.211 4.877 -7.334
224 HE2 LYS 36 HE2 LYS 36 34.602 2.868 -7.028
225 HE3 LYS 36 HE1 LYS 36 34.592 3.120 -5.284
226 HZ1 LYS 36 HZ1 LYS 36 32.841 1.727 -5.420
227 HZ2 LYS 36 HZ2 LYS 36 32.488 2.127 -7.032
228 HZ3 LYS 36 HZ3 LYS 36 31.992 3.153 -5.771
229 H HIS 37 HN HIS 37 35.437 9.861 -5.709
230 HA HIS 37 HA HIS 37 35.312 11.457 -8.200
231 HB2 HIS 37 HB2 HIS 37 33.617 11.654 -5.701
232 HB3 HIS 37 HB1 HIS 37 33.572 12.814 -7.030
233 HD2 HIS 37 HD2 HIS 37 32.414 9.135 -6.270
234 HE1 HIS 37 HE1 HIS 37 30.979 10.198 -10.099
235 HE2 HIS 37 HE2 HIS 37 30.890 8.434 -8.274
236 H CYS 38 HN CYS 38 35.517 11.969 -4.663
237 HA CYS 38 HA CYS 38 37.166 14.331 -5.105
238 HB2 CYS 38 HB2 CYS 38 36.622 14.954 -2.951
239 HB3 CYS 38 HB1 CYS 38 35.199 14.007 -3.381
Start of MODEL 10
1 H1 ABA 1 HT1 ABU 1 14.442 -10.805 -11.203
2 H2 ABA 1 HT2 ABU 1 13.579 -9.856 -12.317
3 H3 ABA 1 HT3 ABU 1 12.750 -10.714 -11.107
4 HA ABA 1 HA ABU 1 12.893 -8.348 -10.580
5 HB2 ABA 1 HB2 ABU 1 13.456 -10.528 -8.941
6 HG1 ABA 1 HG1 ABU 1 11.945 -8.303 -8.874
7 HG3 ABA 1 HG3 ABU 1 12.224 -9.300 -7.447
8 HG2 ABA 1 HG2 ABU 1 13.176 -7.838 -7.702
9 H DBU 2 HN DHB 2 16.001 -10.005 -10.972
10 HB DBU 2 HB DHB 2 19.214 -8.326 -12.294
11 HG1 DBU 2 HG1 DHB 2 18.914 -10.690 -13.130
12 HG2 DBU 2 HG2 DHB 2 17.975 -9.636 -14.184
13 HG3 DBU 2 HG3 DHB 2 17.171 -10.542 -12.902
14 HA PRO 3 HA PRO 3 19.067 -5.037 -9.530
15 HB2 PRO 3 HB2 PRO 3 17.304 -3.325 -11.219
16 HB3 PRO 3 HB1 PRO 3 19.017 -3.136 -10.838
17 HG2 PRO 3 HG2 PRO 3 18.284 -3.953 -13.212
18 HG3 PRO 3 HG1 PRO 3 19.665 -4.714 -12.397
19 HD2 PRO 3 HD2 PRO 3 16.857 -5.712 -12.662
20 HD3 PRO 3 HD1 PRO 3 18.380 -6.598 -12.837
21 H VAL 4 HN VAL 4 15.645 -5.327 -10.345
22 HA VAL 4 HA VAL 4 14.581 -3.615 -8.382
23 HB VAL 4 HB VAL 4 13.425 -6.078 -9.701
24 HG11 VAL 4 HG11 VAL 4 11.417 -4.278 -8.790
25 HG12 VAL 4 HG12 VAL 4 12.492 -4.596 -7.428
26 HG13 VAL 4 HG13 VAL 4 11.704 -5.937 -8.262
27 HG21 VAL 4 HG21 VAL 4 13.553 -3.157 -10.314
28 HG22 VAL 4 HG22 VAL 4 12.056 -4.002 -10.703
29 HG23 VAL 4 HG23 VAL 4 13.579 -4.536 -11.413
30 H CYS 5 HN CYS 5 15.183 -7.129 -8.292
31 HA CYS 5 HA CYS 5 14.342 -7.308 -5.521
32 HB2 CYS 5 HB2 CYS 5 15.662 -9.631 -5.941
33 HB3 CYS 5 HB1 CYS 5 13.990 -9.367 -6.390
34 H ALA 6 HN ALA 6 17.391 -7.758 -7.240
35 HA ALA 6 HA ALA 6 19.086 -8.163 -5.089
36 HB1 ALA 6 HB1 ALA 6 19.543 -6.797 -7.739
37 HB2 ALA 6 HB2 ALA 6 19.998 -8.431 -7.258
38 HB3 ALA 6 HB3 ALA 6 20.846 -7.044 -6.576
39 H VAL 7 HN VAL 7 18.100 -5.056 -6.526
40 HA VAL 7 HA VAL 7 19.614 -3.423 -4.795
41 HB VAL 7 HB VAL 7 17.079 -2.889 -6.351
42 HG11 VAL 7 HG11 VAL 7 17.522 -0.526 -5.945
43 HG12 VAL 7 HG12 VAL 7 18.949 -0.933 -4.993
44 HG13 VAL 7 HG13 VAL 7 17.344 -1.366 -4.405
45 HG21 VAL 7 HG21 VAL 7 18.551 -1.885 -7.967
46 HG22 VAL 7 HG22 VAL 7 19.240 -3.460 -7.573
47 HG23 VAL 7 HG23 VAL 7 19.928 -1.996 -6.870
48 H ALA 8 HN ALA 8 16.246 -4.570 -4.655
49 HA ALA 8 HA ALA 8 15.530 -3.194 -2.293
50 HB1 ALA 8 HB1 ALA 8 14.111 -4.578 -4.062
51 HB2 ALA 8 HB2 ALA 8 13.551 -4.366 -2.403
52 HB3 ALA 8 HB3 ALA 8 14.343 -5.868 -2.882
53 H ALA 9 HN ALA 9 16.991 -6.367 -2.847
54 HA ALA 9 HA ALA 9 16.838 -7.302 -0.180
55 HB1 ALA 9 HB1 ALA 9 18.802 -8.766 -0.928
56 HB2 ALA 9 HB2 ALA 9 18.649 -7.974 -2.497
57 HB3 ALA 9 HB3 ALA 9 17.306 -8.917 -1.850
58 H DBU 10 HN DHB 10 19.254 -5.374 -1.913
59 HB DBU 10 HB DHB 10 22.570 -4.118 -0.262
60 HG1 DBU 10 HG1 DHB 10 21.643 -6.031 -2.478
61 HG2 DBU 10 HG2 DHB 10 23.089 -6.337 -1.516
62 HG3 DBU 10 HG3 DHB 10 23.019 -4.933 -2.581
63 H ALA 11 HN ALA 11 18.690 -3.027 -0.463
64 HA ALA 11 HA ALA 11 19.306 -1.546 1.865
65 HB1 ALA 11 HB1 ALA 11 16.541 -1.779 0.689
66 HB2 ALA 11 HB2 ALA 11 17.819 -0.876 -0.123
67 HB3 ALA 11 HB3 ALA 11 17.282 -0.391 1.485
68 H ALA 12 HN ALA 12 17.130 -4.274 1.280
69 HA ALA 12 HA ALA 12 15.881 -4.277 3.821
70 HB1 ALA 12 HB1 ALA 12 14.937 -5.507 1.942
71 HB2 ALA 12 HB2 ALA 12 15.278 -6.619 3.267
72 HB3 ALA 12 HB3 ALA 12 16.360 -6.546 1.876
73 H ALA 13 HN ALA 13 18.829 -5.778 2.591
74 HA ALA 13 HA ALA 13 19.376 -7.420 4.828
75 HB1 ALA 13 HB1 ALA 13 20.639 -7.961 2.949
76 HB2 ALA 13 HB2 ALA 13 21.816 -7.099 3.940
77 HB3 ALA 13 HB3 ALA 13 21.024 -6.276 2.597
78 H ALA 14 HN ALA 14 20.150 -4.057 4.079
79 HA ALA 14 HA ALA 14 21.939 -3.602 6.216
80 HB2 ALA 14 HB2 ALA 14 21.065 -2.114 4.101
81 HB3 ALA 14 HB3 ALA 14 20.236 -1.328 5.444
82 H DHA 15 HN DHA 15 18.408 -3.464 5.995
83 HB1 DHA 15 HB1 DHA 15 15.988 -2.600 6.961
84 HB2 DHA 15 HB2 DHA 15 15.874 -2.763 8.805
85 H ALA 16 HN ALA 16 18.987 -5.293 8.603
86 HA ALA 16 HA ALA 16 19.306 -4.593 11.421
87 HB1 ALA 16 HB1 ALA 16 18.566 -6.830 11.051
88 HB2 ALA 16 HB2 ALA 16 20.255 -6.943 11.547
89 HB3 ALA 16 HB3 ALA 16 19.821 -7.117 9.845
90 H ALA 17 HN ALA 17 21.381 -5.582 8.681
91 HA ALA 17 HA ALA 17 23.844 -5.310 10.023
92 HB1 ALA 17 HB1 ALA 17 23.498 -6.479 7.842
93 HB2 ALA 17 HB2 ALA 17 24.856 -5.354 7.830
94 HB3 ALA 17 HB3 ALA 17 23.330 -4.902 7.070
95 H CYS 18 HN CYS 18 22.153 -3.021 7.874
96 HA CYS 18 HA CYS 18 24.037 -0.932 8.097
97 HB2 CYS 18 HB2 CYS 18 21.074 -0.904 7.471
98 HB3 CYS 18 HB1 CYS 18 22.126 0.503 7.321
99 H GLY 19 HN GLY 19 21.066 -1.664 9.880
100 HA2 GLY 19 HA2 GLY 19 21.151 0.619 11.581
101 HA3 GLY 19 HA1 GLY 19 20.206 -0.843 11.854
102 H TRP 20 HN TRP 20 22.552 -2.589 11.717
103 HA TRP 20 HA TRP 20 23.204 -2.749 14.433
104 HB2 TRP 20 HB2 TRP 20 23.767 -4.194 12.052
105 HB3 TRP 20 HB1 TRP 20 25.306 -3.896 12.863
106 HD1 TRP 20 HD1 TRP 20 24.065 -3.833 15.807
107 HE1 TRP 20 HE1 TRP 20 23.442 -6.095 16.922
108 HE3 TRP 20 HE3 TRP 20 23.635 -6.801 11.678
109 HZ2 TRP 20 HZ2 TRP 20 22.854 -8.748 16.182
110 HZ3 TRP 20 HZ3 TRP 20 23.037 -9.201 11.923
111 HH2 TRP 20 HH2 TRP 20 22.652 -10.156 14.183
112 H VAL 21 HN VAL 21 25.174 -1.556 11.739
113 HA VAL 21 HA VAL 21 27.345 -0.713 13.366
114 HB VAL 21 HB VAL 21 26.595 0.233 10.594
115 HG11 VAL 21 HG11 VAL 21 28.266 1.650 11.543
116 HG12 VAL 21 HG12 VAL 21 29.126 0.514 10.504
117 HG13 VAL 21 HG13 VAL 21 29.119 0.281 12.252
118 HG21 VAL 21 HG21 VAL 21 27.064 -1.867 9.916
119 HG22 VAL 21 HG22 VAL 21 27.448 -2.354 11.567
120 HG23 VAL 21 HG23 VAL 21 28.700 -1.656 10.540
121 H GLY 22 HN GLY 22 24.295 0.662 12.530
122 HA2 GLY 22 HA2 GLY 22 23.272 2.511 13.529
123 HA3 GLY 22 HA1 GLY 22 24.825 2.971 14.221
124 H GLY 23 HN GLY 23 24.863 2.206 10.885
125 HA2 GLY 23 HA2 GLY 23 24.569 3.611 8.992
126 HA3 GLY 23 HA1 GLY 23 24.504 5.004 10.066
127 H GLY 24 HN GLY 24 26.952 3.314 11.308
128 HA2 GLY 24 HA2 GLY 24 28.973 5.053 10.341
129 HA3 GLY 24 HA1 GLY 24 29.237 3.606 11.310
130 H ILE 25 HN ILE 25 28.112 1.702 9.561
131 HA ILE 25 HA ILE 25 30.316 1.214 7.836
132 HB ILE 25 HB ILE 25 28.529 -0.394 8.976
133 HG12 ILE 25 HG12 ILE 25 30.606 -1.049 7.769
134 HG13 ILE 25 HG11 ILE 25 29.263 -2.139 7.420
135 HG21 ILE 25 HG21 ILE 25 27.446 0.067 6.177
136 HG22 ILE 25 HG22 ILE 25 26.616 0.450 7.686
137 HG23 ILE 25 HG23 ILE 25 26.941 -1.230 7.259
138 HD11 ILE 25 HD11 ILE 25 30.655 -0.227 5.637
139 HD12 ILE 25 HD12 ILE 25 28.901 -0.290 5.463
140 HD13 ILE 25 HD13 ILE 25 29.862 -1.754 5.250
141 H PHE 26 HN PHE 26 27.004 2.318 7.289
142 HA PHE 26 HA PHE 26 27.050 2.344 4.470
143 HB2 PHE 26 HB2 PHE 26 24.987 2.575 5.814
144 HB3 PHE 26 HB1 PHE 26 25.522 4.171 6.343
145 HD1 PHE 26 HD1 PHE 26 24.806 2.168 3.271
146 HD2 PHE 26 HD2 PHE 26 25.061 6.074 5.036
147 HE1 PHE 26 HE1 PHE 26 23.873 3.163 1.200
148 HE2 PHE 26 HE2 PHE 26 24.128 7.071 2.965
149 HZ PHE 26 HZ PHE 26 23.535 5.615 1.047
150 H THR 27 HN THR 27 27.911 4.835 6.855
151 HA THR 27 HA THR 27 28.428 6.933 5.064
152 HB THR 27 HB THR 27 29.927 6.403 7.637
153 HG1 THR 27 HG1 THR 27 27.365 6.549 7.341
154 HG21 THR 27 HG21 THR 27 30.910 8.269 6.646
155 HG22 THR 27 HG22 THR 27 29.644 9.013 7.622
156 HG23 THR 27 HG23 THR 27 29.403 8.785 5.889
157 H GLY 28 HN GLY 28 30.602 4.422 6.354
158 HA2 GLY 28 HA2 GLY 28 32.923 5.326 4.996
159 HA3 GLY 28 HA1 GLY 28 32.676 3.705 5.642
160 H VAL 29 HN VAL 29 30.409 2.960 4.177
161 HA VAL 29 HA VAL 29 31.566 2.035 1.774
162 HB VAL 29 HB VAL 29 28.742 2.073 2.833
163 HG11 VAL 29 HG11 VAL 29 29.218 0.191 0.688
164 HG12 VAL 29 HG12 VAL 29 29.493 1.842 0.137
165 HG13 VAL 29 HG13 VAL 29 27.943 1.398 0.850
166 HG21 VAL 29 HG21 VAL 29 29.211 -0.393 2.978
167 HG22 VAL 29 HG22 VAL 29 30.263 0.583 4.003
168 HG23 VAL 29 HG23 VAL 29 30.870 -0.061 2.477
169 H DBU 30 HN DHB 30 29.171 4.597 2.437
170 HB DBU 30 HB DHB 30 27.756 6.739 -0.578
171 HG1 DBU 30 HG1 DHB 30 27.013 3.943 -0.178
172 HG2 DBU 30 HG2 DHB 30 25.911 5.293 -0.447
173 HG3 DBU 30 HG3 DHB 30 26.408 4.874 1.192
174 H VAL 31 HN VAL 31 30.740 6.464 2.430
175 HA VAL 31 HA VAL 31 31.736 8.782 1.132
176 HB VAL 31 HB VAL 31 32.690 7.190 3.512
177 HG11 VAL 31 HG11 VAL 31 33.698 9.868 2.517
178 HG12 VAL 31 HG12 VAL 31 34.571 8.347 2.335
179 HG13 VAL 31 HG13 VAL 31 34.258 8.996 3.944
180 HG21 VAL 31 HG21 VAL 31 31.857 9.980 3.827
181 HG22 VAL 31 HG22 VAL 31 31.326 8.547 4.707
182 HG23 VAL 31 HG23 VAL 31 30.577 8.963 3.164
183 H VAL 32 HN VAL 32 33.051 5.503 1.607
184 HA VAL 32 HA VAL 32 35.544 5.944 0.373
185 HB VAL 32 HB VAL 32 33.884 3.559 1.056
186 HG11 VAL 32 HG11 VAL 32 36.331 3.487 -0.736
187 HG12 VAL 32 HG12 VAL 32 34.693 3.021 -1.196
188 HG13 VAL 32 HG13 VAL 32 35.574 2.075 0.004
189 HG21 VAL 32 HG21 VAL 32 36.368 3.052 1.923
190 HG22 VAL 32 HG22 VAL 32 35.258 4.082 2.827
191 HG23 VAL 32 HG23 VAL 32 36.491 4.807 1.794
192 H VAL 33 HN VAL 33 32.523 4.588 -0.938
193 HA VAL 33 HA VAL 33 33.349 4.064 -3.521
194 HB VAL 33 HB VAL 33 31.171 3.361 -3.043
195 HG11 VAL 33 HG11 VAL 33 29.908 5.945 -2.478
196 HG12 VAL 33 HG12 VAL 33 31.120 5.491 -1.287
197 HG13 VAL 33 HG13 VAL 33 29.768 4.415 -1.613
198 HG21 VAL 33 HG21 VAL 33 31.431 4.541 -5.275
199 HG22 VAL 33 HG22 VAL 33 30.666 5.942 -4.525
200 HG23 VAL 33 HG23 VAL 33 29.775 4.427 -4.675
201 H DAL 34 HN DAL 34 31.485 6.960 -2.663
202 HA DAL 34 HA DAL 34 31.967 9.176 -3.177
203 HB1 DAL 34 HB2 DAL 34 31.791 7.980 -5.927
204 HB2 DAL 34 HB3 DAL 34 30.413 8.327 -4.895
205 H LEU 35 HN LEU 35 34.239 8.742 -2.278
206 HA LEU 35 HA LEU 35 36.068 10.185 -3.823
207 HB2 LEU 35 HB2 LEU 35 36.164 9.989 -1.357
208 HB3 LEU 35 HB1 LEU 35 36.645 8.300 -1.523
209 HG LEU 35 HG LEU 35 38.655 8.969 -2.756
210 HD11 LEU 35 HD11 LEU 35 38.581 10.932 -3.862
211 HD12 LEU 35 HD12 LEU 35 38.737 11.755 -2.309
212 HD13 LEU 35 HD13 LEU 35 37.137 11.417 -2.972
213 HD21 LEU 35 HD21 LEU 35 39.812 10.191 -0.921
214 HD22 LEU 35 HD22 LEU 35 38.805 8.883 -0.298
215 HD23 LEU 35 HD23 LEU 35 38.246 10.553 -0.194
216 H LYS 36 HN LYS 36 35.689 6.702 -3.338
217 HA LYS 36 HA LYS 36 38.005 5.874 -4.708
218 HB2 LYS 36 HB2 LYS 36 35.358 4.534 -4.182
219 HB3 LYS 36 HB1 LYS 36 36.665 3.726 -5.046
220 HG2 LYS 36 HG2 LYS 36 37.001 4.977 -2.307
221 HG3 LYS 36 HG1 LYS 36 36.624 3.272 -2.560
222 HD2 LYS 36 HD2 LYS 36 38.674 3.033 -3.924
223 HD3 LYS 36 HD1 LYS 36 39.054 4.731 -3.633
224 HE2 LYS 36 HE2 LYS 36 39.194 4.318 -1.224
225 HE3 LYS 36 HE1 LYS 36 38.739 2.631 -1.469
226 HZ1 LYS 36 HZ1 LYS 36 41.270 3.565 -1.421
227 HZ2 LYS 36 HZ2 LYS 36 40.957 3.490 -3.089
228 HZ3 LYS 36 HZ3 LYS 36 40.789 2.100 -2.126
229 H HIS 37 HN HIS 37 34.730 6.606 -5.854
230 HA HIS 37 HA HIS 37 35.738 6.280 -8.618
231 HB2 HIS 37 HB2 HIS 37 32.957 5.870 -7.508
232 HB3 HIS 37 HB1 HIS 37 33.331 5.909 -9.233
233 HD2 HIS 37 HD2 HIS 37 33.639 3.471 -6.210
234 HE1 HIS 37 HE1 HIS 37 35.413 1.585 -9.545
235 HE2 HIS 37 HE2 HIS 37 34.634 1.248 -7.152
236 H CYS 38 HN CYS 38 33.182 8.038 -6.826
237 HA CYS 38 HA CYS 38 33.335 10.203 -8.779
238 HB2 CYS 38 HB2 CYS 38 31.253 10.854 -8.016
239 HB3 CYS 38 HB1 CYS 38 31.188 9.116 -7.726
Start of MODEL 11
1 H1 ABA 1 HT1 ABU 1 8.510 -15.962 -8.177
2 H2 ABA 1 HT2 ABU 1 9.910 -16.116 -9.127
3 H3 ABA 1 HT3 ABU 1 8.746 -14.939 -9.510
4 HA ABA 1 HA ABU 1 9.205 -13.992 -7.203
5 HB2 ABA 1 HB2 ABU 1 11.950 -15.070 -7.486
6 HG1 ABA 1 HG1 ABU 1 11.353 -17.158 -6.257
7 HG3 ABA 1 HG3 ABU 1 9.647 -16.785 -6.500
8 HG2 ABA 1 HG2 ABU 1 10.682 -17.125 -7.888
9 H DBU 2 HN DHB 2 11.860 -14.759 -9.480
10 HB DBU 2 HB DHB 2 13.429 -12.417 -12.077
11 HG1 DBU 2 HG1 DHB 2 13.567 -15.256 -11.528
12 HG2 DBU 2 HG2 DHB 2 13.535 -14.520 -13.131
13 HG3 DBU 2 HG3 DHB 2 12.025 -14.979 -12.339
14 HA PRO 3 HA PRO 3 12.587 -8.730 -10.095
15 HB2 PRO 3 HB2 PRO 3 9.724 -8.540 -10.910
16 HB3 PRO 3 HB1 PRO 3 11.097 -7.553 -11.412
17 HG2 PRO 3 HG2 PRO 3 10.079 -9.337 -13.043
18 HG3 PRO 3 HG1 PRO 3 11.840 -9.133 -12.923
19 HD2 PRO 3 HD2 PRO 3 10.109 -11.265 -11.735
20 HD3 PRO 3 HD1 PRO 3 11.715 -11.407 -12.465
21 H VAL 4 HN VAL 4 9.590 -10.427 -9.210
22 HA VAL 4 HA VAL 4 8.843 -8.734 -7.073
23 HB VAL 4 HB VAL 4 8.222 -11.640 -7.638
24 HG11 VAL 4 HG11 VAL 4 7.524 -9.852 -5.359
25 HG12 VAL 4 HG12 VAL 4 7.688 -11.607 -5.401
26 HG13 VAL 4 HG13 VAL 4 6.224 -10.843 -6.019
27 HG21 VAL 4 HG21 VAL 4 6.476 -9.174 -7.865
28 HG22 VAL 4 HG22 VAL 4 6.140 -10.789 -8.487
29 HG23 VAL 4 HG23 VAL 4 7.415 -9.811 -9.215
30 H CYS 5 HN CYS 5 10.697 -11.766 -7.151
31 HA CYS 5 HA CYS 5 11.114 -11.940 -4.356
32 HB2 CYS 5 HB2 CYS 5 12.455 -13.141 -6.762
33 HB3 CYS 5 HB1 CYS 5 13.148 -13.363 -5.152
34 H ALA 6 HN ALA 6 12.932 -10.405 -6.968
35 HA ALA 6 HA ALA 6 15.244 -9.747 -5.492
36 HB1 ALA 6 HB1 ALA 6 15.786 -9.207 -7.603
37 HB2 ALA 6 HB2 ALA 6 14.911 -7.699 -7.348
38 HB3 ALA 6 HB3 ALA 6 14.093 -9.080 -8.079
39 H VAL 7 HN VAL 7 12.167 -8.049 -5.943
40 HA VAL 7 HA VAL 7 12.902 -5.635 -4.690
41 HB VAL 7 HB VAL 7 10.239 -7.010 -5.063
42 HG11 VAL 7 HG11 VAL 7 9.640 -4.398 -4.625
43 HG12 VAL 7 HG12 VAL 7 11.003 -4.600 -3.525
44 HG13 VAL 7 HG13 VAL 7 9.584 -5.635 -3.369
45 HG21 VAL 7 HG21 VAL 7 11.288 -6.244 -7.124
46 HG22 VAL 7 HG22 VAL 7 11.634 -4.672 -6.403
47 HG23 VAL 7 HG23 VAL 7 9.966 -5.147 -6.723
48 H ALA 8 HN ALA 8 11.383 -8.593 -3.431
49 HA ALA 8 HA ALA 8 11.061 -7.679 -0.771
50 HB1 ALA 8 HB1 ALA 8 9.794 -9.569 -1.236
51 HB2 ALA 8 HB2 ALA 8 11.140 -10.265 -0.331
52 HB3 ALA 8 HB3 ALA 8 11.113 -10.368 -2.092
53 H ALA 9 HN ALA 9 13.702 -9.328 -2.442
54 HA ALA 9 HA ALA 9 15.283 -9.894 -0.167
55 HB1 ALA 9 HB1 ALA 9 16.312 -11.002 -1.830
56 HB2 ALA 9 HB2 ALA 9 17.070 -9.467 -2.254
57 HB3 ALA 9 HB3 ALA 9 15.587 -9.972 -3.063
58 H DBU 10 HN DHB 10 15.033 -7.051 -2.262
59 HB DBU 10 HB DHB 10 17.327 -3.899 -1.789
60 HG1 DBU 10 HG1 DHB 10 18.547 -5.603 -3.396
61 HG2 DBU 10 HG2 DHB 10 17.403 -4.509 -4.176
62 HG3 DBU 10 HG3 DHB 10 16.928 -6.167 -3.809
63 H ALA 11 HN ALA 11 13.834 -5.575 -0.374
64 HA ALA 11 HA ALA 11 14.068 -3.643 1.648
65 HB1 ALA 11 HB1 ALA 11 12.126 -5.879 1.996
66 HB2 ALA 11 HB2 ALA 11 11.974 -4.876 0.554
67 HB3 ALA 11 HB3 ALA 11 11.880 -4.140 2.154
68 H ALA 12 HN ALA 12 14.239 -7.194 1.826
69 HA ALA 12 HA ALA 12 14.810 -7.182 4.652
70 HB1 ALA 12 HB1 ALA 12 15.564 -9.603 3.204
71 HB2 ALA 12 HB2 ALA 12 13.918 -9.080 2.843
72 HB3 ALA 12 HB3 ALA 12 14.399 -9.391 4.510
73 H ALA 13 HN ALA 13 16.636 -6.853 1.759
74 HA ALA 13 HA ALA 13 19.130 -7.880 2.624
75 HB1 ALA 13 HB1 ALA 13 18.957 -7.511 0.312
76 HB2 ALA 13 HB2 ALA 13 20.006 -6.202 0.855
77 HB3 ALA 13 HB3 ALA 13 18.302 -5.888 0.527
78 H ALA 14 HN ALA 14 17.592 -4.716 2.931
79 HA ALA 14 HA ALA 14 19.827 -3.310 3.929
80 HB2 ALA 14 HB2 ALA 14 17.282 -2.614 3.247
81 HB3 ALA 14 HB3 ALA 14 17.200 -2.524 5.007
82 H DHA 15 HN DHA 15 17.405 -5.352 5.504
83 HB1 DHA 15 HB1 DHA 15 16.063 -6.170 7.745
84 HB2 DHA 15 HB2 DHA 15 17.195 -6.391 9.199
85 H ALA 16 HN ALA 16 20.239 -6.498 6.610
86 HA ALA 16 HA ALA 16 21.827 -5.749 8.946
87 HB1 ALA 16 HB1 ALA 16 23.522 -6.970 7.113
88 HB2 ALA 16 HB2 ALA 16 21.977 -7.784 6.869
89 HB3 ALA 16 HB3 ALA 16 22.716 -7.756 8.471
90 H ALA 17 HN ALA 17 21.956 -5.303 5.399
91 HA ALA 17 HA ALA 17 24.208 -3.617 5.353
92 HB1 ALA 17 HB1 ALA 17 23.184 -2.827 3.142
93 HB2 ALA 17 HB2 ALA 17 21.872 -3.956 3.478
94 HB3 ALA 17 HB3 ALA 17 23.523 -4.550 3.291
95 H CYS 18 HN CYS 18 20.744 -2.786 5.366
96 HA CYS 18 HA CYS 18 21.080 0.013 5.397
97 HB2 CYS 18 HB2 CYS 18 18.833 -1.765 6.364
98 HB3 CYS 18 HB1 CYS 18 18.732 -0.007 6.327
99 H GLY 19 HN GLY 19 20.806 -2.382 7.989
100 HA2 GLY 19 HA2 GLY 19 20.748 -0.525 10.142
101 HA3 GLY 19 HA1 GLY 19 21.164 -2.232 10.264
102 H TRP 20 HN TRP 20 23.359 -2.252 8.488
103 HA TRP 20 HA TRP 20 25.469 -1.502 10.203
104 HB2 TRP 20 HB2 TRP 20 25.354 -2.335 7.312
105 HB3 TRP 20 HB1 TRP 20 26.876 -1.900 8.087
106 HD1 TRP 20 HD1 TRP 20 24.053 -3.710 9.920
107 HE1 TRP 20 HE1 TRP 20 24.902 -6.056 10.609
108 HE3 TRP 20 HE3 TRP 20 28.589 -3.802 7.550
109 HZ2 TRP 20 HZ2 TRP 20 27.131 -7.720 10.233
110 HZ3 TRP 20 HZ3 TRP 20 30.049 -5.802 7.745
111 HH2 TRP 20 HH2 TRP 20 29.303 -7.751 9.091
112 H VAL 21 HN VAL 21 23.992 0.093 7.437
113 HA VAL 21 HA VAL 21 25.701 2.010 6.664
114 HB VAL 21 HB VAL 21 23.879 3.449 6.202
115 HG11 VAL 21 HG11 VAL 21 22.276 1.951 5.181
116 HG12 VAL 21 HG12 VAL 21 22.707 0.657 6.298
117 HG13 VAL 21 HG13 VAL 21 23.864 1.192 5.079
118 HG21 VAL 21 HG21 VAL 21 21.610 2.857 7.369
119 HG22 VAL 21 HG22 VAL 21 22.804 3.809 8.253
120 HG23 VAL 21 HG23 VAL 21 22.638 2.083 8.575
121 H GLY 22 HN GLY 22 24.377 1.690 9.851
122 HA2 GLY 22 HA2 GLY 22 24.734 4.289 10.840
123 HA3 GLY 22 HA1 GLY 22 24.797 2.821 11.811
124 H GLY 23 HN GLY 23 27.030 2.370 9.463
125 HA2 GLY 23 HA2 GLY 23 29.195 3.964 10.550
126 HA3 GLY 23 HA1 GLY 23 29.288 2.248 10.940
127 H GLY 24 HN GLY 24 28.107 1.320 8.484
128 HA2 GLY 24 HA2 GLY 24 30.423 1.098 6.875
129 HA3 GLY 24 HA1 GLY 24 28.800 0.594 6.414
130 H ILE 25 HN ILE 25 27.561 3.165 6.677
131 HA ILE 25 HA ILE 25 28.064 4.219 4.095
132 HB ILE 25 HB ILE 25 25.961 4.348 5.714
133 HG12 ILE 25 HG12 ILE 25 26.173 5.068 3.299
134 HG13 ILE 25 HG11 ILE 25 25.063 6.052 4.258
135 HG21 ILE 25 HG21 ILE 25 25.763 6.669 6.620
136 HG22 ILE 25 HG22 ILE 25 27.459 6.936 6.218
137 HG23 ILE 25 HG23 ILE 25 27.019 5.727 7.424
138 HD11 ILE 25 HD11 ILE 25 27.352 6.919 2.805
139 HD12 ILE 25 HD12 ILE 25 27.702 7.140 4.520
140 HD13 ILE 25 HD13 ILE 25 26.274 7.890 3.807
141 H PHE 26 HN PHE 26 28.951 5.303 7.343
142 HA PHE 26 HA PHE 26 30.142 7.755 6.626
143 HB2 PHE 26 HB2 PHE 26 29.594 7.181 8.947
144 HB3 PHE 26 HB1 PHE 26 30.810 5.903 8.930
145 HD1 PHE 26 HD1 PHE 26 30.335 9.585 8.568
146 HD2 PHE 26 HD2 PHE 26 33.102 6.384 9.314
147 HE1 PHE 26 HE1 PHE 26 32.085 11.237 9.168
148 HE2 PHE 26 HE2 PHE 26 34.850 8.036 9.915
149 HZ PHE 26 HZ PHE 26 34.343 10.462 9.841
150 H THR 27 HN THR 27 31.521 4.495 6.966
151 HA THR 27 HA THR 27 34.206 5.185 6.474
152 HB THR 27 HB THR 27 32.734 2.609 5.860
153 HG1 THR 27 HG1 THR 27 32.815 2.392 7.926
154 HG21 THR 27 HG21 THR 27 35.702 3.083 6.233
155 HG22 THR 27 HG22 THR 27 34.924 2.915 4.659
156 HG23 THR 27 HG23 THR 27 34.915 1.566 5.795
157 H GLY 28 HN GLY 28 31.627 4.138 4.251
158 HA2 GLY 28 HA2 GLY 28 33.226 4.227 1.904
159 HA3 GLY 28 HA1 GLY 28 31.465 4.260 1.953
160 H VAL 29 HN VAL 29 31.075 6.581 3.462
161 HA VAL 29 HA VAL 29 31.264 8.582 1.480
162 HB VAL 29 HB VAL 29 30.555 8.610 4.408
163 HG11 VAL 29 HG11 VAL 29 31.468 10.816 2.840
164 HG12 VAL 29 HG12 VAL 29 30.812 10.836 4.478
165 HG13 VAL 29 HG13 VAL 29 29.733 11.003 3.091
166 HG21 VAL 29 HG21 VAL 29 28.881 9.308 1.990
167 HG22 VAL 29 HG22 VAL 29 28.330 8.863 3.605
168 HG23 VAL 29 HG23 VAL 29 29.051 7.645 2.552
169 H DBU 30 HN DHB 30 33.102 8.014 4.482
170 HB DBU 30 HB DHB 30 36.062 10.458 5.432
171 HG1 DBU 30 HG1 DHB 30 34.505 11.382 6.923
172 HG2 DBU 30 HG2 DHB 30 33.513 9.934 6.749
173 HG3 DBU 30 HG3 DHB 30 33.289 11.295 5.648
174 H VAL 31 HN VAL 31 35.060 6.857 3.467
175 HA VAL 31 HA VAL 31 37.765 6.936 2.669
176 HB VAL 31 HB VAL 31 35.483 5.054 2.101
177 HG11 VAL 31 HG11 VAL 31 37.579 3.613 1.313
178 HG12 VAL 31 HG12 VAL 31 38.216 5.205 0.900
179 HG13 VAL 31 HG13 VAL 31 36.707 4.646 0.181
180 HG21 VAL 31 HG21 VAL 31 36.586 3.645 3.658
181 HG22 VAL 31 HG22 VAL 31 36.710 5.255 4.368
182 HG23 VAL 31 HG23 VAL 31 38.095 4.552 3.533
183 H VAL 32 HN VAL 32 34.737 7.203 0.821
184 HA VAL 32 HA VAL 32 35.920 7.369 -1.731
185 HB VAL 32 HB VAL 32 33.274 8.246 -0.603
186 HG11 VAL 32 HG11 VAL 32 32.989 9.632 -2.351
187 HG12 VAL 32 HG12 VAL 32 33.178 8.248 -3.426
188 HG13 VAL 32 HG13 VAL 32 34.581 9.218 -2.982
189 HG21 VAL 32 HG21 VAL 32 32.537 6.460 -2.242
190 HG22 VAL 32 HG22 VAL 32 33.532 5.868 -0.912
191 HG23 VAL 32 HG23 VAL 32 34.244 6.102 -2.510
192 H VAL 33 HN VAL 33 34.930 9.885 0.573
193 HA VAL 33 HA VAL 33 35.589 12.089 -1.060
194 HB VAL 33 HB VAL 33 35.636 13.355 1.076
195 HG11 VAL 33 HG11 VAL 33 33.479 11.736 0.026
196 HG12 VAL 33 HG12 VAL 33 33.412 13.364 0.701
197 HG13 VAL 33 HG13 VAL 33 33.286 11.963 1.765
198 HG21 VAL 33 HG21 VAL 33 35.223 10.621 2.320
199 HG22 VAL 33 HG22 VAL 33 35.218 12.162 3.178
200 HG23 VAL 33 HG23 VAL 33 36.704 11.570 2.437
201 H DAL 34 HN DAL 34 37.441 10.268 1.348
202 HA DAL 34 HA DAL 34 39.706 10.089 1.680
203 HB1 DAL 34 HB2 DAL 34 39.984 12.918 0.824
204 HB2 DAL 34 HB3 DAL 34 39.162 12.531 2.322
205 H LEU 35 HN LEU 35 39.061 8.959 -0.604
206 HA LEU 35 HA LEU 35 41.392 9.032 -2.153
207 HB2 LEU 35 HB2 LEU 35 39.894 7.077 -2.013
208 HB3 LEU 35 HB1 LEU 35 38.640 7.975 -2.868
209 HG LEU 35 HG LEU 35 40.094 8.192 -4.824
210 HD11 LEU 35 HD11 LEU 35 42.322 8.100 -4.487
211 HD12 LEU 35 HD12 LEU 35 42.169 6.363 -4.210
212 HD13 LEU 35 HD13 LEU 35 42.071 7.486 -2.851
213 HD21 LEU 35 HD21 LEU 35 38.836 6.230 -5.045
214 HD22 LEU 35 HD22 LEU 35 39.602 5.465 -3.652
215 HD23 LEU 35 HD23 LEU 35 40.479 5.603 -5.176
216 H LYS 36 HN LYS 36 38.195 10.481 -2.644
217 HA LYS 36 HA LYS 36 38.666 11.509 -5.224
218 HB2 LYS 36 HB2 LYS 36 36.808 12.360 -3.022
219 HB3 LYS 36 HB1 LYS 36 36.850 13.157 -4.596
220 HG2 LYS 36 HG2 LYS 36 36.451 10.971 -5.696
221 HG3 LYS 36 HG1 LYS 36 36.352 10.209 -4.106
222 HD2 LYS 36 HD2 LYS 36 34.449 11.596 -3.514
223 HD3 LYS 36 HD1 LYS 36 34.582 12.470 -5.039
224 HE2 LYS 36 HE2 LYS 36 34.094 10.428 -6.291
225 HE3 LYS 36 HE1 LYS 36 34.038 9.497 -4.797
226 HZ1 LYS 36 HZ1 LYS 36 32.261 11.799 -5.392
227 HZ2 LYS 36 HZ2 LYS 36 32.151 10.738 -4.069
228 HZ3 LYS 36 HZ3 LYS 36 31.829 10.179 -5.641
229 H HIS 37 HN HIS 37 39.280 12.827 -1.996
230 HA HIS 37 HA HIS 37 40.768 15.035 -3.293
231 HB2 HIS 37 HB2 HIS 37 39.398 15.087 -0.595
232 HB3 HIS 37 HB1 HIS 37 40.222 16.435 -1.385
233 HD2 HIS 37 HD2 HIS 37 36.850 14.435 -1.705
234 HE1 HIS 37 HE1 HIS 37 36.694 17.710 -4.364
235 HE2 HIS 37 HE2 HIS 37 35.354 15.809 -3.346
236 H CYS 38 HN CYS 38 40.674 14.114 0.104
237 HA CYS 38 HA CYS 38 43.461 14.305 0.456
238 HB2 CYS 38 HB2 CYS 38 43.053 13.760 2.669
239 HB3 CYS 38 HB1 CYS 38 41.463 14.344 2.174
Start of MODEL 12
1 H1 ABA 1 HT1 ABU 1 6.082 -16.852 -4.581
2 H2 ABA 1 HT2 ABU 1 6.901 -17.151 -6.039
3 H3 ABA 1 HT3 ABU 1 5.310 -16.558 -6.062
4 HA ABA 1 HA ABU 1 5.940 -14.449 -5.795
5 HB2 ABA 1 HB2 ABU 1 6.982 -15.593 -3.479
6 HG1 ABA 1 HG1 ABU 1 5.730 -13.329 -4.193
7 HG3 ABA 1 HG3 ABU 1 6.512 -13.520 -2.625
8 HG2 ABA 1 HG2 ABU 1 7.346 -12.675 -3.929
9 H DBU 2 HN DHB 2 8.551 -16.821 -6.108
10 HB DBU 2 HB DHB 2 11.062 -16.940 -9.026
11 HG1 DBU 2 HG1 DHB 2 9.029 -18.607 -9.325
12 HG2 DBU 2 HG2 DHB 2 8.883 -18.553 -7.567
13 HG3 DBU 2 HG3 DHB 2 10.335 -19.226 -8.312
14 HA PRO 3 HA PRO 3 12.187 -12.779 -8.680
15 HB2 PRO 3 HB2 PRO 3 9.981 -11.776 -10.426
16 HB3 PRO 3 HB1 PRO 3 11.720 -11.836 -10.740
17 HG2 PRO 3 HG2 PRO 3 10.137 -13.543 -11.921
18 HG3 PRO 3 HG1 PRO 3 11.674 -14.105 -11.229
19 HD2 PRO 3 HD2 PRO 3 8.909 -14.337 -10.087
20 HD3 PRO 3 HD1 PRO 3 10.192 -15.559 -10.160
21 H VAL 4 HN VAL 4 8.706 -12.546 -8.138
22 HA VAL 4 HA VAL 4 8.582 -9.877 -7.264
23 HB VAL 4 HB VAL 4 6.875 -12.276 -6.588
24 HG11 VAL 4 HG11 VAL 4 5.260 -10.188 -6.095
25 HG12 VAL 4 HG12 VAL 4 6.798 -9.443 -5.656
26 HG13 VAL 4 HG13 VAL 4 6.263 -10.912 -4.837
27 HG21 VAL 4 HG21 VAL 4 5.622 -11.706 -8.419
28 HG22 VAL 4 HG22 VAL 4 7.142 -10.994 -8.962
29 HG23 VAL 4 HG23 VAL 4 5.912 -9.979 -8.209
30 H CYS 5 HN CYS 5 8.976 -12.890 -5.382
31 HA CYS 5 HA CYS 5 9.263 -11.423 -2.899
32 HB2 CYS 5 HB2 CYS 5 10.209 -13.890 -2.294
33 HB3 CYS 5 HB1 CYS 5 8.500 -13.476 -2.298
34 H ALA 6 HN ALA 6 11.441 -13.632 -4.623
35 HA ALA 6 HA ALA 6 13.781 -13.259 -3.316
36 HB1 ALA 6 HB1 ALA 6 13.179 -14.479 -5.614
37 HB2 ALA 6 HB2 ALA 6 14.844 -14.108 -5.163
38 HB3 ALA 6 HB3 ALA 6 13.976 -13.054 -6.280
39 H VAL 7 HN VAL 7 12.538 -11.095 -5.860
40 HA VAL 7 HA VAL 7 14.666 -9.247 -5.748
41 HB VAL 7 HB VAL 7 11.799 -9.006 -6.659
42 HG11 VAL 7 HG11 VAL 7 14.029 -6.996 -6.555
43 HG12 VAL 7 HG12 VAL 7 12.331 -6.787 -6.134
44 HG13 VAL 7 HG13 VAL 7 12.811 -6.914 -7.826
45 HG21 VAL 7 HG21 VAL 7 14.484 -9.357 -8.013
46 HG22 VAL 7 HG22 VAL 7 13.040 -8.857 -8.893
47 HG23 VAL 7 HG23 VAL 7 13.086 -10.429 -8.094
48 H ALA 8 HN ALA 8 11.492 -9.328 -4.139
49 HA ALA 8 HA ALA 8 11.733 -6.849 -2.806
50 HB1 ALA 8 HB1 ALA 8 9.591 -8.028 -3.029
51 HB2 ALA 8 HB2 ALA 8 9.951 -7.703 -1.333
52 HB3 ALA 8 HB3 ALA 8 10.188 -9.322 -1.991
53 H ALA 9 HN ALA 9 12.739 -10.124 -1.936
54 HA ALA 9 HA ALA 9 13.457 -9.589 0.746
55 HB1 ALA 9 HB1 ALA 9 13.578 -11.793 -1.048
56 HB2 ALA 9 HB2 ALA 9 13.797 -11.800 0.702
57 HB3 ALA 9 HB3 ALA 9 15.187 -11.576 -0.361
58 H DBU 10 HN DHB 10 15.225 -9.304 -2.310
59 HB DBU 10 HB DHB 10 18.983 -8.195 -2.470
60 HG1 DBU 10 HG1 DHB 10 19.016 -10.238 -3.703
61 HG2 DBU 10 HG2 DHB 10 17.317 -10.550 -3.349
62 HG3 DBU 10 HG3 DHB 10 18.549 -10.906 -2.139
63 H ALA 11 HN ALA 11 15.512 -6.450 -2.580
64 HA ALA 11 HA ALA 11 16.889 -4.229 -1.507
65 HB1 ALA 11 HB1 ALA 11 14.090 -3.660 -1.816
66 HB2 ALA 11 HB2 ALA 11 14.635 -4.667 -3.159
67 HB3 ALA 11 HB3 ALA 11 15.441 -3.135 -2.820
68 H ALA 12 HN ALA 12 14.201 -6.178 -0.303
69 HA ALA 12 HA ALA 12 13.536 -4.550 1.913
70 HB1 ALA 12 HB1 ALA 12 12.376 -6.520 2.770
71 HB2 ALA 12 HB2 ALA 12 13.232 -7.548 1.619
72 HB3 ALA 12 HB3 ALA 12 12.075 -6.349 1.040
73 H ALA 13 HN ALA 13 15.871 -7.168 1.479
74 HA ALA 13 HA ALA 13 16.577 -7.521 4.185
75 HB1 ALA 13 HB1 ALA 13 18.646 -8.527 3.302
76 HB2 ALA 13 HB2 ALA 13 18.276 -7.879 1.703
77 HB3 ALA 13 HB3 ALA 13 17.230 -9.103 2.423
78 H ALA 14 HN ALA 14 17.889 -5.378 1.675
79 HA ALA 14 HA ALA 14 19.970 -4.288 3.261
80 HB2 ALA 14 HB2 ALA 14 19.318 -4.102 0.639
81 HB3 ALA 14 HB3 ALA 14 18.749 -2.535 1.216
82 H DHA 15 HN DHA 15 16.573 -3.413 2.803
83 HB1 DHA 15 HB1 DHA 15 14.613 -1.459 2.920
84 HB2 DHA 15 HB2 DHA 15 14.613 -0.591 4.558
85 H ALA 16 HN ALA 16 17.070 -3.660 5.847
86 HA ALA 16 HA ALA 16 17.631 -1.777 8.009
87 HB1 ALA 16 HB1 ALA 16 17.946 -4.783 8.036
88 HB2 ALA 16 HB2 ALA 16 16.422 -3.965 8.383
89 HB3 ALA 16 HB3 ALA 16 17.822 -3.700 9.423
90 H ALA 17 HN ALA 17 19.384 -4.445 6.382
91 HA ALA 17 HA ALA 17 21.903 -3.856 7.503
92 HB1 ALA 17 HB1 ALA 17 22.652 -5.069 5.259
93 HB2 ALA 17 HB2 ALA 17 20.932 -5.451 5.179
94 HB3 ALA 17 HB3 ALA 17 21.884 -5.957 6.574
95 H CYS 18 HN CYS 18 20.507 -2.940 4.360
96 HA CYS 18 HA CYS 18 22.734 -1.491 3.415
97 HB2 CYS 18 HB2 CYS 18 19.783 -1.273 2.790
98 HB3 CYS 18 HB1 CYS 18 21.040 -0.404 1.910
99 H GLY 19 HN GLY 19 19.888 -0.531 5.284
100 HA2 GLY 19 HA2 GLY 19 20.365 2.255 5.285
101 HA3 GLY 19 HA1 GLY 19 19.400 1.381 6.470
102 H TRP 20 HN TRP 20 21.414 -0.345 7.454
103 HA TRP 20 HA TRP 20 22.670 1.381 9.355
104 HB2 TRP 20 HB2 TRP 20 23.040 -1.569 8.787
105 HB3 TRP 20 HB1 TRP 20 23.738 -0.719 10.166
106 HD1 TRP 20 HD1 TRP 20 20.299 0.323 9.016
107 HE1 TRP 20 HE1 TRP 20 18.560 -0.416 10.781
108 HE3 TRP 20 HE3 TRP 20 23.211 -2.619 12.027
109 HZ2 TRP 20 HZ2 TRP 20 18.401 -1.991 13.096
110 HZ3 TRP 20 HZ3 TRP 20 22.213 -3.725 14.015
111 HH2 TRP 20 HH2 TRP 20 19.805 -3.399 14.532
112 H VAL 21 HN VAL 21 24.291 -1.086 7.385
113 HA VAL 21 HA VAL 21 26.620 -1.076 6.928
114 HB VAL 21 HB VAL 21 25.875 1.083 5.024
115 HG11 VAL 21 HG11 VAL 21 27.964 -0.075 4.694
116 HG12 VAL 21 HG12 VAL 21 26.847 -0.644 3.453
117 HG13 VAL 21 HG13 VAL 21 27.178 -1.645 4.867
118 HG21 VAL 21 HG21 VAL 21 24.367 -0.344 3.791
119 HG22 VAL 21 HG22 VAL 21 23.780 -0.273 5.452
120 HG23 VAL 21 HG23 VAL 21 24.664 -1.691 4.891
121 H GLY 22 HN GLY 22 26.441 0.460 9.187
122 HA2 GLY 22 HA2 GLY 22 27.495 3.108 8.770
123 HA3 GLY 22 HA1 GLY 22 27.324 2.279 10.315
124 H GLY 23 HN GLY 23 28.860 0.159 8.331
125 HA2 GLY 23 HA2 GLY 23 31.479 0.854 9.475
126 HA3 GLY 23 HA1 GLY 23 31.018 -0.716 8.825
127 H GLY 24 HN GLY 24 30.456 -0.657 6.406
128 HA2 GLY 24 HA2 GLY 24 32.742 0.182 4.968
129 HA3 GLY 24 HA1 GLY 24 31.245 -0.411 4.256
130 H ILE 25 HN ILE 25 29.513 1.580 5.340
131 HA ILE 25 HA ILE 25 29.786 3.603 3.376
132 HB ILE 25 HB ILE 25 27.699 2.711 4.741
133 HG12 ILE 25 HG12 ILE 25 27.655 4.278 2.822
134 HG13 ILE 25 HG11 ILE 25 26.502 4.752 4.072
135 HG21 ILE 25 HG21 ILE 25 28.531 5.182 6.291
136 HG22 ILE 25 HG22 ILE 25 28.570 3.534 6.918
137 HG23 ILE 25 HG23 ILE 25 27.029 4.282 6.500
138 HD11 ILE 25 HD11 ILE 25 29.063 6.060 3.261
139 HD12 ILE 25 HD12 ILE 25 28.596 6.147 4.959
140 HD13 ILE 25 HD13 ILE 25 27.525 6.792 3.715
141 H PHE 26 HN PHE 26 30.445 3.514 6.849
142 HA PHE 26 HA PHE 26 31.080 6.233 7.199
143 HB2 PHE 26 HB2 PHE 26 30.712 4.690 9.080
144 HB3 PHE 26 HB1 PHE 26 32.191 3.825 8.662
145 HD1 PHE 26 HD1 PHE 26 30.916 7.227 9.556
146 HD2 PHE 26 HD2 PHE 26 34.266 4.539 9.508
147 HE1 PHE 26 HE1 PHE 26 32.244 8.859 10.869
148 HE2 PHE 26 HE2 PHE 26 35.594 6.171 10.820
149 HZ PHE 26 HZ PHE 26 34.583 8.331 11.501
150 H THR 27 HN THR 27 33.144 3.446 6.404
151 HA THR 27 HA THR 27 35.573 4.913 6.295
152 HB THR 27 HB THR 27 36.417 2.925 5.060
153 HG1 THR 27 HG1 THR 27 34.607 1.207 5.169
154 HG21 THR 27 HG21 THR 27 35.172 2.975 7.688
155 HG22 THR 27 HG22 THR 27 36.698 2.246 7.190
156 HG23 THR 27 HG23 THR 27 35.191 1.347 7.009
157 H GLY 28 HN GLY 28 33.043 4.226 3.956
158 HA2 GLY 28 HA2 GLY 28 34.452 5.005 1.625
159 HA3 GLY 28 HA1 GLY 28 32.701 4.963 1.800
160 H VAL 29 HN VAL 29 32.299 6.819 3.815
161 HA VAL 29 HA VAL 29 32.385 9.255 2.392
162 HB VAL 29 HB VAL 29 30.910 8.393 4.439
163 HG11 VAL 29 HG11 VAL 29 32.990 10.172 5.746
164 HG12 VAL 29 HG12 VAL 29 32.834 8.436 6.015
165 HG13 VAL 29 HG13 VAL 29 31.540 9.524 6.514
166 HG21 VAL 29 HG21 VAL 29 30.119 10.281 3.355
167 HG22 VAL 29 HG22 VAL 29 31.654 11.137 3.505
168 HG23 VAL 29 HG23 VAL 29 30.587 10.985 4.902
169 H DBU 30 HN DHB 30 34.361 7.997 5.067
170 HB DBU 30 HB DHB 30 37.307 10.242 6.493
171 HG1 DBU 30 HG1 DHB 30 34.691 9.427 7.608
172 HG2 DBU 30 HG2 DHB 30 34.619 11.078 6.991
173 HG3 DBU 30 HG3 DHB 30 35.783 10.655 8.247
174 H VAL 31 HN VAL 31 36.179 7.225 3.666
175 HA VAL 31 HA VAL 31 38.896 7.450 2.897
176 HB VAL 31 HB VAL 31 36.568 5.807 1.928
177 HG11 VAL 31 HG11 VAL 31 38.075 6.370 0.007
178 HG12 VAL 31 HG12 VAL 31 38.085 4.655 0.413
179 HG13 VAL 31 HG13 VAL 31 39.424 5.687 0.914
180 HG21 VAL 31 HG21 VAL 31 38.030 5.479 4.115
181 HG22 VAL 31 HG22 VAL 31 39.188 4.790 2.978
182 HG23 VAL 31 HG23 VAL 31 37.577 4.089 3.130
183 H VAL 32 HN VAL 32 35.855 8.150 1.160
184 HA VAL 32 HA VAL 32 37.095 9.033 -1.235
185 HB VAL 32 HB VAL 32 34.927 9.851 -1.844
186 HG11 VAL 32 HG11 VAL 32 34.572 7.605 -1.999
187 HG12 VAL 32 HG12 VAL 32 33.521 7.869 -0.606
188 HG13 VAL 32 HG13 VAL 32 35.174 7.304 -0.368
189 HG21 VAL 32 HG21 VAL 32 33.126 9.919 -0.021
190 HG22 VAL 32 HG22 VAL 32 34.343 11.194 0.039
191 HG23 VAL 32 HG23 VAL 32 34.451 9.822 1.139
192 H VAL 33 HN VAL 33 35.800 10.820 1.565
193 HA VAL 33 HA VAL 33 36.211 13.404 0.714
194 HB VAL 33 HB VAL 33 35.207 13.228 2.820
195 HG11 VAL 33 HG11 VAL 33 35.749 11.714 4.450
196 HG12 VAL 33 HG12 VAL 33 37.482 11.919 4.203
197 HG13 VAL 33 HG13 VAL 33 36.548 10.903 3.108
198 HG21 VAL 33 HG21 VAL 33 37.122 14.959 2.569
199 HG22 VAL 33 HG22 VAL 33 38.024 13.889 3.643
200 HG23 VAL 33 HG23 VAL 33 36.521 14.628 4.196
201 H DAL 34 HN DAL 34 38.540 11.731 2.839
202 HA DAL 34 HA DAL 34 40.863 11.614 2.623
203 HB1 DAL 34 HB2 DAL 34 40.397 14.558 2.372
204 HB2 DAL 34 HB3 DAL 34 40.434 13.671 3.890
205 H LEU 35 HN LEU 35 39.719 10.932 0.274
206 HA LEU 35 HA LEU 35 41.749 11.389 -1.621
207 HB2 LEU 35 HB2 LEU 35 39.030 10.152 -1.620
208 HB3 LEU 35 HB1 LEU 35 39.770 10.514 -3.176
209 HG LEU 35 HG LEU 35 40.364 8.247 -2.536
210 HD11 LEU 35 HD11 LEU 35 42.815 9.882 -1.913
211 HD12 LEU 35 HD12 LEU 35 42.088 9.933 -3.518
212 HD13 LEU 35 HD13 LEU 35 42.689 8.406 -2.870
213 HD21 LEU 35 HD21 LEU 35 40.454 7.791 -0.322
214 HD22 LEU 35 HD22 LEU 35 40.663 9.490 0.090
215 HD23 LEU 35 HD23 LEU 35 42.063 8.510 -0.335
216 H LYS 36 HN LYS 36 38.527 12.790 -1.182
217 HA LYS 36 HA LYS 36 38.552 14.412 -3.501
218 HB2 LYS 36 HB2 LYS 36 37.051 14.732 -0.894
219 HB3 LYS 36 HB1 LYS 36 36.738 15.669 -2.355
220 HG2 LYS 36 HG2 LYS 36 36.587 12.644 -2.183
221 HG3 LYS 36 HG1 LYS 36 35.196 13.726 -2.131
222 HD2 LYS 36 HD2 LYS 36 35.781 14.597 -4.361
223 HD3 LYS 36 HD1 LYS 36 37.175 13.517 -4.418
224 HE2 LYS 36 HE2 LYS 36 35.683 11.566 -4.250
225 HE3 LYS 36 HE1 LYS 36 34.283 12.636 -4.173
226 HZ1 LYS 36 HZ1 LYS 36 36.087 12.107 -6.442
227 HZ2 LYS 36 HZ2 LYS 36 35.218 13.565 -6.364
228 HZ3 LYS 36 HZ3 LYS 36 34.392 12.080 -6.396
229 H HIS 37 HN HIS 37 39.464 15.051 -0.107
230 HA HIS 37 HA HIS 37 41.582 16.723 -0.591
231 HB2 HIS 37 HB2 HIS 37 40.193 18.959 -0.055
232 HB3 HIS 37 HB1 HIS 37 40.595 18.446 -1.696
233 HD2 HIS 37 HD2 HIS 37 37.725 16.531 0.160
234 HE1 HIS 37 HE1 HIS 37 35.947 19.003 -2.764
235 HE2 HIS 37 HE2 HIS 37 35.512 17.157 -1.077
236 H CYS 38 HN CYS 38 42.083 15.638 1.433
237 HA CYS 38 HA CYS 38 40.649 15.925 3.811
238 HB2 CYS 38 HB2 CYS 38 43.659 15.863 3.654
239 HB3 CYS 38 HB1 CYS 38 42.612 15.181 4.902
Start of MODEL 13
1 H1 ABA 1 HT1 ABU 1 15.271 -12.128 -11.589
2 H2 ABA 1 HT2 ABU 1 13.718 -11.439 -11.587
3 H3 ABA 1 HT3 ABU 1 14.047 -12.804 -10.630
4 HA ABA 1 HA ABU 1 14.105 -11.115 -9.082
5 HB2 ABA 1 HB2 ABU 1 16.965 -10.778 -9.741
6 HG1 ABA 1 HG1 ABU 1 16.876 -12.887 -10.792
7 HG3 ABA 1 HG3 ABU 1 17.288 -13.289 -9.124
8 HG2 ABA 1 HG2 ABU 1 15.630 -13.482 -9.695
9 H DBU 2 HN DHB 2 16.222 -10.063 -11.778
10 HB DBU 2 HB DHB 2 16.039 -6.619 -13.512
11 HG1 DBU 2 HG1 DHB 2 15.493 -9.553 -14.141
12 HG2 DBU 2 HG2 DHB 2 16.992 -8.825 -14.716
13 HG3 DBU 2 HG3 DHB 2 15.439 -8.195 -15.266
14 HA PRO 3 HA PRO 3 15.866 -4.382 -9.874
15 HB2 PRO 3 HB2 PRO 3 13.245 -3.536 -9.909
16 HB3 PRO 3 HB1 PRO 3 14.434 -3.115 -11.135
17 HG2 PRO 3 HG2 PRO 3 12.316 -5.185 -11.158
18 HG3 PRO 3 HG1 PRO 3 12.843 -4.083 -12.446
19 HD2 PRO 3 HD2 PRO 3 13.617 -6.627 -12.391
20 HD3 PRO 3 HD1 PRO 3 14.699 -5.352 -12.961
21 H VAL 4 HN VAL 4 13.368 -6.836 -9.531
22 HA VAL 4 HA VAL 4 12.535 -6.219 -6.899
23 HB VAL 4 HB VAL 4 12.535 -8.818 -8.445
24 HG11 VAL 4 HG11 VAL 4 12.540 -9.066 -5.909
25 HG12 VAL 4 HG12 VAL 4 11.137 -9.744 -6.733
26 HG13 VAL 4 HG13 VAL 4 11.010 -8.191 -5.907
27 HG21 VAL 4 HG21 VAL 4 9.947 -7.790 -7.873
28 HG22 VAL 4 HG22 VAL 4 10.739 -7.895 -9.446
29 HG23 VAL 4 HG23 VAL 4 10.914 -6.439 -8.465
30 H CYS 5 HN CYS 5 15.019 -8.431 -8.151
31 HA CYS 5 HA CYS 5 15.832 -9.454 -5.642
32 HB2 CYS 5 HB2 CYS 5 17.109 -9.295 -8.358
33 HB3 CYS 5 HB1 CYS 5 18.024 -9.895 -6.971
34 H ALA 6 HN ALA 6 16.978 -6.718 -7.592
35 HA ALA 6 HA ALA 6 19.161 -6.019 -5.931
36 HB1 ALA 6 HB1 ALA 6 19.130 -3.885 -7.105
37 HB2 ALA 6 HB2 ALA 6 17.502 -4.208 -7.701
38 HB3 ALA 6 HB3 ALA 6 18.856 -5.193 -8.255
39 H VAL 7 HN VAL 7 15.756 -5.044 -5.944
40 HA VAL 7 HA VAL 7 15.951 -3.037 -3.971
41 HB VAL 7 HB VAL 7 13.664 -4.790 -4.877
42 HG11 VAL 7 HG11 VAL 7 12.196 -3.319 -3.617
43 HG12 VAL 7 HG12 VAL 7 13.571 -2.354 -3.081
44 HG13 VAL 7 HG13 VAL 7 13.386 -4.014 -2.517
45 HG21 VAL 7 HG21 VAL 7 13.414 -1.957 -5.347
46 HG22 VAL 7 HG22 VAL 7 13.476 -3.266 -6.527
47 HG23 VAL 7 HG23 VAL 7 14.969 -2.515 -5.964
48 H ALA 8 HN ALA 8 15.189 -6.504 -3.774
49 HA ALA 8 HA ALA 8 14.719 -6.573 -0.985
50 HB1 ALA 8 HB1 ALA 8 15.868 -9.032 -2.009
51 HB2 ALA 8 HB2 ALA 8 14.633 -8.399 -3.098
52 HB3 ALA 8 HB3 ALA 8 14.238 -8.723 -1.411
53 H ALA 9 HN ALA 9 17.640 -6.935 -2.934
54 HA ALA 9 HA ALA 9 19.362 -7.810 -0.870
55 HB1 ALA 9 HB1 ALA 9 19.840 -7.867 -3.349
56 HB2 ALA 9 HB2 ALA 9 21.162 -7.252 -2.355
57 HB3 ALA 9 HB3 ALA 9 20.143 -6.131 -3.259
58 H DBU 10 HN DHB 10 18.385 -4.588 -1.968
59 HB DBU 10 HB DHB 10 20.017 -1.377 -0.314
60 HG1 DBU 10 HG1 DHB 10 20.105 -2.283 -3.063
61 HG2 DBU 10 HG2 DHB 10 21.459 -3.048 -2.231
62 HG3 DBU 10 HG3 DHB 10 21.323 -1.289 -2.261
63 H ALA 11 HN ALA 11 16.697 -3.683 -0.183
64 HA ALA 11 HA ALA 11 16.365 -2.497 2.361
65 HB1 ALA 11 HB1 ALA 11 14.166 -2.975 2.072
66 HB2 ALA 11 HB2 ALA 11 14.485 -4.656 1.643
67 HB3 ALA 11 HB3 ALA 11 14.664 -3.389 0.430
68 H ALA 12 HN ALA 12 16.948 -5.835 1.343
69 HA ALA 12 HA ALA 12 16.604 -7.039 3.884
70 HB1 ALA 12 HB1 ALA 12 17.868 -8.929 2.913
71 HB2 ALA 12 HB2 ALA 12 18.298 -7.919 1.533
72 HB3 ALA 12 HB3 ALA 12 16.613 -8.352 1.818
73 H ALA 13 HN ALA 13 19.385 -5.588 2.264
74 HA ALA 13 HA ALA 13 21.362 -6.401 4.116
75 HB1 ALA 13 HB1 ALA 13 22.244 -5.595 2.120
76 HB2 ALA 13 HB2 ALA 13 22.507 -4.230 3.205
77 HB3 ALA 13 HB3 ALA 13 21.151 -4.210 2.078
78 H ALA 14 HN ALA 14 19.192 -3.615 4.004
79 HA ALA 14 HA ALA 14 20.367 -2.151 6.116
80 HB2 ALA 14 HB2 ALA 14 18.321 -1.689 4.365
81 HB3 ALA 14 HB3 ALA 14 17.439 -1.953 5.870
82 H DHA 15 HN DHA 15 17.963 -4.751 6.064
83 HB1 DHA 15 HB1 DHA 15 15.958 -6.183 7.268
84 HB2 DHA 15 HB2 DHA 15 16.331 -6.550 9.047
85 H ALA 16 HN ALA 16 20.138 -5.830 8.286
86 HA ALA 16 HA ALA 16 20.306 -5.310 11.157
87 HB1 ALA 16 HB1 ALA 16 22.303 -6.467 9.201
88 HB2 ALA 16 HB2 ALA 16 21.308 -7.368 10.346
89 HB3 ALA 16 HB3 ALA 16 22.577 -6.294 10.935
90 H ALA 17 HN ALA 17 21.963 -4.277 8.169
91 HA ALA 17 HA ALA 17 23.685 -2.403 9.379
92 HB1 ALA 17 HB1 ALA 17 23.285 -3.374 6.822
93 HB2 ALA 17 HB2 ALA 17 24.437 -2.121 7.282
94 HB3 ALA 17 HB3 ALA 17 22.839 -1.673 6.683
95 H CYS 18 HN CYS 18 20.495 -1.952 7.860
96 HA CYS 18 HA CYS 18 20.359 0.840 8.144
97 HB2 CYS 18 HB2 CYS 18 18.263 -1.316 7.933
98 HB3 CYS 18 HB1 CYS 18 17.821 0.379 8.128
99 H GLY 19 HN GLY 19 19.460 -1.793 10.331
100 HA2 GLY 19 HA2 GLY 19 18.381 -0.009 12.335
101 HA3 GLY 19 HA1 GLY 19 18.627 -1.745 12.500
102 H TRP 20 HN TRP 20 21.127 -2.302 12.379
103 HA TRP 20 HA TRP 20 22.309 -1.275 14.721
104 HB2 TRP 20 HB2 TRP 20 23.448 -2.843 12.405
105 HB3 TRP 20 HB1 TRP 20 24.388 -2.429 13.838
106 HD1 TRP 20 HD1 TRP 20 21.797 -4.810 12.568
107 HE1 TRP 20 HE1 TRP 20 21.123 -6.440 14.462
108 HE3 TRP 20 HE3 TRP 20 24.044 -2.567 16.576
109 HZ2 TRP 20 HZ2 TRP 20 21.467 -6.763 17.229
110 HZ3 TRP 20 HZ3 TRP 20 23.844 -3.576 18.834
111 HH2 TRP 20 HH2 TRP 20 22.551 -5.674 19.143
112 H VAL 21 HN VAL 21 22.831 -0.536 11.303
113 HA VAL 21 HA VAL 21 24.518 0.888 10.424
114 HB VAL 21 HB VAL 21 22.187 1.855 10.405
115 HG11 VAL 21 HG11 VAL 21 22.703 2.374 13.062
116 HG12 VAL 21 HG12 VAL 21 21.419 3.129 12.118
117 HG13 VAL 21 HG13 VAL 21 22.967 3.950 12.312
118 HG21 VAL 21 HG21 VAL 21 23.405 3.158 9.020
119 HG22 VAL 21 HG22 VAL 21 24.771 3.206 10.131
120 HG23 VAL 21 HG23 VAL 21 23.420 4.318 10.347
121 H GLY 22 HN GLY 22 26.059 0.060 12.250
122 HA2 GLY 22 HA2 GLY 22 26.626 1.787 14.439
123 HA3 GLY 22 HA1 GLY 22 27.702 0.552 13.789
124 H GLY 23 HN GLY 23 26.704 2.544 11.306
125 HA2 GLY 23 HA2 GLY 23 27.560 4.636 10.532
126 HA3 GLY 23 HA1 GLY 23 28.887 4.487 11.680
127 H GLY 24 HN GLY 24 28.773 1.494 10.616
128 HA2 GLY 24 HA2 GLY 24 31.056 1.686 8.954
129 HA3 GLY 24 HA1 GLY 24 30.067 0.246 9.178
130 H ILE 25 HN ILE 25 27.603 1.366 8.264
131 HA ILE 25 HA ILE 25 27.768 0.844 5.506
132 HB ILE 25 HB ILE 25 25.685 0.544 6.625
133 HG12 ILE 25 HG12 ILE 25 24.205 1.634 5.151
134 HG13 ILE 25 HG11 ILE 25 25.217 3.076 5.061
135 HG21 ILE 25 HG21 ILE 25 26.358 2.540 8.251
136 HG22 ILE 25 HG22 ILE 25 24.676 2.062 8.033
137 HG23 ILE 25 HG23 ILE 25 25.317 3.453 7.159
138 HD11 ILE 25 HD11 ILE 25 26.642 2.149 3.517
139 HD12 ILE 25 HD12 ILE 25 25.193 1.227 3.112
140 HD13 ILE 25 HD13 ILE 25 26.433 0.514 4.145
141 H PHE 26 HN PHE 26 27.236 3.899 7.211
142 HA PHE 26 HA PHE 26 27.310 5.558 4.933
143 HB2 PHE 26 HB2 PHE 26 26.438 6.246 7.169
144 HB3 PHE 26 HB1 PHE 26 28.098 6.300 7.762
145 HD1 PHE 26 HD1 PHE 26 25.883 7.660 5.072
146 HD2 PHE 26 HD2 PHE 26 29.405 8.234 7.464
147 HE1 PHE 26 HE1 PHE 26 26.140 9.946 4.146
148 HE2 PHE 26 HE2 PHE 26 29.660 10.521 6.538
149 HZ PHE 26 HZ PHE 26 28.028 11.376 4.879
150 H THR 27 HN THR 27 29.856 4.561 7.204
151 HA THR 27 HA THR 27 31.939 6.131 6.143
152 HB THR 27 HB THR 27 32.057 3.430 7.508
153 HG1 THR 27 HG1 THR 27 31.123 5.143 8.714
154 HG21 THR 27 HG21 THR 27 34.094 4.164 6.142
155 HG22 THR 27 HG22 THR 27 34.379 3.822 7.848
156 HG23 THR 27 HG23 THR 27 34.254 5.491 7.293
157 H GLY 28 HN GLY 28 30.913 2.804 5.380
158 HA2 GLY 28 HA2 GLY 28 32.912 2.333 3.416
159 HA3 GLY 28 HA1 GLY 28 31.401 1.443 3.581
160 H VAL 29 HN VAL 29 29.583 3.534 3.258
161 HA VAL 29 HA VAL 29 29.397 3.713 0.445
162 HB VAL 29 HB VAL 29 27.940 5.029 2.729
163 HG11 VAL 29 HG11 VAL 29 28.108 6.517 0.658
164 HG12 VAL 29 HG12 VAL 29 26.478 6.108 1.190
165 HG13 VAL 29 HG13 VAL 29 27.191 5.271 -0.188
166 HG21 VAL 29 HG21 VAL 29 27.683 2.552 2.005
167 HG22 VAL 29 HG22 VAL 29 26.877 3.199 0.576
168 HG23 VAL 29 HG23 VAL 29 26.212 3.509 2.180
169 H DBU 30 HN DHB 30 30.317 6.091 2.936
170 HB DBU 30 HB DHB 30 31.381 9.739 1.866
171 HG1 DBU 30 HG1 DHB 30 29.050 8.682 3.335
172 HG2 DBU 30 HG2 DHB 30 28.627 8.978 1.649
173 HG3 DBU 30 HG3 DHB 30 29.234 10.297 2.652
174 H VAL 31 HN VAL 31 32.764 5.859 2.755
175 HA VAL 31 HA VAL 31 35.249 6.890 1.917
176 HB VAL 31 HB VAL 31 34.330 4.164 2.819
177 HG11 VAL 31 HG11 VAL 31 36.150 3.401 1.675
178 HG12 VAL 31 HG12 VAL 31 37.034 4.072 3.045
179 HG13 VAL 31 HG13 VAL 31 36.875 5.003 1.556
180 HG21 VAL 31 HG21 VAL 31 36.304 6.040 4.120
181 HG22 VAL 31 HG22 VAL 31 35.355 4.755 4.866
182 HG23 VAL 31 HG23 VAL 31 34.568 6.247 4.350
183 H VAL 32 HN VAL 32 33.138 4.379 0.541
184 HA VAL 32 HA VAL 32 34.829 3.681 -1.606
185 HB VAL 32 HB VAL 32 31.976 3.260 -0.895
186 HG11 VAL 32 HG11 VAL 32 31.351 3.624 -3.066
187 HG12 VAL 32 HG12 VAL 32 32.046 2.023 -3.309
188 HG13 VAL 32 HG13 VAL 32 32.997 3.462 -3.675
189 HG21 VAL 32 HG21 VAL 32 34.385 1.627 -1.699
190 HG22 VAL 32 HG22 VAL 32 32.772 0.911 -1.659
191 HG23 VAL 32 HG23 VAL 32 33.477 1.576 -0.186
192 H VAL 33 HN VAL 33 32.144 6.009 -1.390
193 HA VAL 33 HA VAL 33 32.182 6.795 -4.094
194 HB VAL 33 HB VAL 33 31.073 8.873 -3.254
195 HG11 VAL 33 HG11 VAL 33 29.220 7.509 -1.976
196 HG12 VAL 33 HG12 VAL 33 30.202 6.118 -2.436
197 HG13 VAL 33 HG13 VAL 33 29.529 7.173 -3.679
198 HG21 VAL 33 HG21 VAL 33 30.615 9.052 -0.846
199 HG22 VAL 33 HG22 VAL 33 32.354 9.039 -1.136
200 HG23 VAL 33 HG23 VAL 33 31.546 7.585 -0.550
201 H DAL 34 HN DAL 34 33.901 8.014 -1.256
202 HA DAL 34 HA DAL 34 35.887 9.138 -1.107
203 HB1 DAL 34 HB2 DAL 34 34.672 10.835 -3.272
204 HB2 DAL 34 HB3 DAL 34 34.343 11.000 -1.552
205 H LEU 35 HN LEU 35 36.614 7.000 -2.160
206 HA LEU 35 HA LEU 35 38.774 7.574 -3.844
207 HB2 LEU 35 HB2 LEU 35 38.692 5.635 -2.324
208 HB3 LEU 35 HB1 LEU 35 37.419 4.918 -3.313
209 HG LEU 35 HG LEU 35 38.907 4.813 -5.234
210 HD11 LEU 35 HD11 LEU 35 40.386 6.708 -3.587
211 HD12 LEU 35 HD12 LEU 35 40.504 6.413 -5.324
212 HD13 LEU 35 HD13 LEU 35 41.432 5.423 -4.196
213 HD21 LEU 35 HD21 LEU 35 39.769 2.874 -4.452
214 HD22 LEU 35 HD22 LEU 35 39.227 3.353 -2.843
215 HD23 LEU 35 HD23 LEU 35 40.863 3.740 -3.375
216 H LYS 36 HN LYS 36 35.573 6.212 -4.517
217 HA LYS 36 HA LYS 36 36.000 5.619 -7.236
218 HB2 LYS 36 HB2 LYS 36 33.495 6.235 -5.694
219 HB3 LYS 36 HB1 LYS 36 33.492 5.775 -7.398
220 HG2 LYS 36 HG2 LYS 36 34.761 3.711 -6.802
221 HG3 LYS 36 HG1 LYS 36 34.619 4.158 -5.101
222 HD2 LYS 36 HD2 LYS 36 32.189 4.101 -5.255
223 HD3 LYS 36 HD1 LYS 36 32.293 3.742 -6.977
224 HE2 LYS 36 HE2 LYS 36 33.461 1.630 -6.479
225 HE3 LYS 36 HE1 LYS 36 33.374 1.983 -4.753
226 HZ1 LYS 36 HZ1 LYS 36 30.807 2.265 -5.734
227 HZ2 LYS 36 HZ2 LYS 36 31.398 1.013 -4.751
228 HZ3 LYS 36 HZ3 LYS 36 31.407 0.845 -6.441
229 H HIS 37 HN HIS 37 34.942 8.578 -5.612
230 HA HIS 37 HA HIS 37 35.012 9.929 -8.243
231 HB2 HIS 37 HB2 HIS 37 33.355 10.565 -5.796
232 HB3 HIS 37 HB1 HIS 37 33.426 11.569 -7.248
233 HD2 HIS 37 HD2 HIS 37 31.912 8.128 -6.104
234 HE1 HIS 37 HE1 HIS 37 30.605 8.887 -10.046
235 HE2 HIS 37 HE2 HIS 37 30.339 7.353 -8.040
236 H CYS 38 HN CYS 38 35.400 10.686 -4.752
237 HA CYS 38 HA CYS 38 37.198 12.870 -5.477
238 HB2 CYS 38 HB2 CYS 38 36.832 13.709 -3.347
239 HB3 CYS 38 HB1 CYS 38 35.295 12.919 -3.692
Start of MODEL 14
1 H1 ABA 1 HT1 ABU 1 6.416 -14.340 -8.223
2 H2 ABA 1 HT2 ABU 1 5.622 -12.843 -8.359
3 H3 ABA 1 HT3 ABU 1 5.306 -13.859 -7.034
4 HA ABA 1 HA ABU 1 6.751 -12.005 -6.420
5 HB2 ABA 1 HB2 ABU 1 8.604 -14.314 -6.299
6 HG1 ABA 1 HG1 ABU 1 7.081 -15.613 -4.841
7 HG3 ABA 1 HG3 ABU 1 5.779 -14.479 -5.198
8 HG2 ABA 1 HG2 ABU 1 6.444 -15.491 -6.480
9 H DBU 2 HN DHB 2 8.669 -14.359 -8.320
10 HB DBU 2 HB DHB 2 11.165 -13.570 -11.123
11 HG1 DBU 2 HG1 DHB 2 8.725 -15.310 -10.539
12 HG2 DBU 2 HG2 DHB 2 10.325 -16.053 -10.546
13 HG3 DBU 2 HG3 DHB 2 9.698 -15.298 -12.011
14 HA PRO 3 HA PRO 3 12.328 -9.690 -9.785
15 HB2 PRO 3 HB2 PRO 3 9.961 -8.241 -10.880
16 HB3 PRO 3 HB1 PRO 3 11.648 -8.179 -11.396
17 HG2 PRO 3 HG2 PRO 3 9.869 -9.469 -12.827
18 HG3 PRO 3 HG1 PRO 3 11.489 -10.153 -12.580
19 HD2 PRO 3 HD2 PRO 3 8.914 -10.894 -11.255
20 HD3 PRO 3 HD1 PRO 3 10.235 -11.939 -11.804
21 H VAL 4 HN VAL 4 8.882 -9.480 -8.935
22 HA VAL 4 HA VAL 4 9.085 -7.291 -7.158
23 HB VAL 4 HB VAL 4 7.087 -9.553 -7.341
24 HG11 VAL 4 HG11 VAL 4 6.524 -8.914 -5.229
25 HG12 VAL 4 HG12 VAL 4 5.821 -7.509 -6.031
26 HG13 VAL 4 HG13 VAL 4 7.440 -7.411 -5.339
27 HG21 VAL 4 HG21 VAL 4 7.479 -7.580 -9.107
28 HG22 VAL 4 HG22 VAL 4 6.506 -6.684 -7.940
29 HG23 VAL 4 HG23 VAL 4 5.858 -8.140 -8.695
30 H CYS 5 HN CYS 5 9.155 -10.800 -6.596
31 HA CYS 5 HA CYS 5 9.410 -10.667 -3.784
32 HB2 CYS 5 HB2 CYS 5 9.992 -12.760 -5.854
33 HB3 CYS 5 HB1 CYS 5 10.503 -13.010 -4.183
34 H ALA 6 HN ALA 6 11.769 -10.629 -6.405
35 HA ALA 6 HA ALA 6 14.099 -10.965 -4.858
36 HB1 ALA 6 HB1 ALA 6 13.796 -9.356 -7.402
37 HB2 ALA 6 HB2 ALA 6 14.004 -11.105 -7.344
38 HB3 ALA 6 HB3 ALA 6 15.288 -10.045 -6.764
39 H VAL 7 HN VAL 7 12.242 -8.071 -5.711
40 HA VAL 7 HA VAL 7 14.056 -6.171 -4.683
41 HB VAL 7 HB VAL 7 11.067 -6.111 -5.110
42 HG11 VAL 7 HG11 VAL 7 12.980 -3.950 -4.205
43 HG12 VAL 7 HG12 VAL 7 11.531 -4.516 -3.376
44 HG13 VAL 7 HG13 VAL 7 11.388 -3.610 -4.883
45 HG21 VAL 7 HG21 VAL 7 11.581 -4.986 -7.122
46 HG22 VAL 7 HG22 VAL 7 12.815 -6.243 -7.034
47 HG23 VAL 7 HG23 VAL 7 13.212 -4.584 -6.584
48 H ALA 8 HN ALA 8 11.275 -7.837 -3.232
49 HA ALA 8 HA ALA 8 11.340 -6.520 -0.737
50 HB1 ALA 8 HB1 ALA 8 9.622 -8.245 -1.853
51 HB2 ALA 8 HB2 ALA 8 9.698 -7.989 -0.110
52 HB3 ALA 8 HB3 ALA 8 10.512 -9.375 -0.834
53 H ALA 9 HN ALA 9 13.083 -9.304 -1.996
54 HA ALA 9 HA ALA 9 14.125 -10.300 0.418
55 HB1 ALA 9 HB1 ALA 9 14.543 -11.760 -1.306
56 HB2 ALA 9 HB2 ALA 9 16.097 -10.928 -1.270
57 HB3 ALA 9 HB3 ALA 9 14.878 -10.468 -2.459
58 H DBU 10 HN DHB 10 15.248 -7.716 -1.736
59 HB DBU 10 HB DHB 10 18.620 -5.801 -0.959
60 HG1 DBU 10 HG1 DHB 10 18.590 -6.792 -3.329
61 HG2 DBU 10 HG2 DHB 10 17.807 -8.227 -2.664
62 HG3 DBU 10 HG3 DHB 10 19.465 -7.834 -2.206
63 H ALA 11 HN ALA 11 14.433 -6.050 -0.099
64 HA ALA 11 HA ALA 11 14.991 -3.880 1.618
65 HB1 ALA 11 HB1 ALA 11 12.452 -5.483 1.779
66 HB2 ALA 11 HB2 ALA 11 12.802 -4.491 0.364
67 HB3 ALA 11 HB3 ALA 11 12.676 -3.743 1.956
68 H ALA 12 HN ALA 12 14.381 -7.303 2.227
69 HA ALA 12 HA ALA 12 14.430 -6.949 5.109
70 HB1 ALA 12 HB1 ALA 12 13.058 -8.726 4.692
71 HB2 ALA 12 HB2 ALA 12 14.576 -9.617 4.798
72 HB3 ALA 12 HB3 ALA 12 13.917 -9.181 3.221
73 H ALA 13 HN ALA 13 16.586 -8.034 2.552
74 HA ALA 13 HA ALA 13 18.588 -9.211 4.146
75 HB1 ALA 13 HB1 ALA 13 19.880 -8.004 1.967
76 HB2 ALA 13 HB2 ALA 13 18.263 -8.403 1.389
77 HB3 ALA 13 HB3 ALA 13 19.293 -9.663 2.066
78 H ALA 14 HN ALA 14 17.788 -5.889 3.484
79 HA ALA 14 HA ALA 14 20.253 -4.692 4.166
80 HB2 ALA 14 HB2 ALA 14 17.912 -3.744 3.202
81 HB3 ALA 14 HB3 ALA 14 17.778 -3.240 4.887
82 H DHA 15 HN DHA 15 17.476 -5.720 6.120
83 HB1 DHA 15 HB1 DHA 15 16.054 -5.456 8.482
84 HB2 DHA 15 HB2 DHA 15 17.158 -5.608 9.967
85 H ALA 16 HN ALA 16 20.027 -6.999 7.295
86 HA ALA 16 HA ALA 16 21.803 -6.427 9.544
87 HB1 ALA 16 HB1 ALA 16 21.871 -8.701 9.138
88 HB2 ALA 16 HB2 ALA 16 23.239 -8.163 8.163
89 HB3 ALA 16 HB3 ALA 16 21.689 -8.503 7.395
90 H ALA 17 HN ALA 17 22.121 -6.526 5.977
91 HA ALA 17 HA ALA 17 24.607 -5.202 5.880
92 HB1 ALA 17 HB1 ALA 17 23.278 -6.525 4.048
93 HB2 ALA 17 HB2 ALA 17 24.357 -5.213 3.573
94 HB3 ALA 17 HB3 ALA 17 22.617 -4.938 3.657
95 H CYS 18 HN CYS 18 21.308 -3.944 5.463
96 HA CYS 18 HA CYS 18 22.010 -1.259 4.980
97 HB2 CYS 18 HB2 CYS 18 19.523 -2.513 6.160
98 HB3 CYS 18 HB1 CYS 18 19.657 -0.802 5.760
99 H GLY 19 HN GLY 19 21.365 -3.042 7.962
100 HA2 GLY 19 HA2 GLY 19 21.364 -0.865 9.744
101 HA3 GLY 19 HA1 GLY 19 21.765 -2.527 10.171
102 H TRP 20 HN TRP 20 24.010 -2.889 8.508
103 HA TRP 20 HA TRP 20 26.053 -1.753 10.114
104 HB2 TRP 20 HB2 TRP 20 26.043 -3.910 8.610
105 HB3 TRP 20 HB1 TRP 20 26.600 -2.798 7.367
106 HD1 TRP 20 HD1 TRP 20 28.646 -4.874 8.130
107 HE1 TRP 20 HE1 TRP 20 30.794 -4.266 9.450
108 HE3 TRP 20 HE3 TRP 20 27.202 -0.478 10.253
109 HZ2 TRP 20 HZ2 TRP 20 31.757 -2.233 11.139
110 HZ3 TRP 20 HZ3 TRP 20 28.763 0.783 11.721
111 HH2 TRP 20 HH2 TRP 20 31.041 -0.115 12.150
112 H VAL 21 HN VAL 21 25.958 -1.427 6.579
113 HA VAL 21 HA VAL 21 27.461 0.846 6.324
114 HB VAL 21 HB VAL 21 25.701 1.278 4.330
115 HG11 VAL 21 HG11 VAL 21 28.116 0.655 4.178
116 HG12 VAL 21 HG12 VAL 21 27.121 -0.169 2.976
117 HG13 VAL 21 HG13 VAL 21 27.662 -1.033 4.415
118 HG21 VAL 21 HG21 VAL 21 25.486 -1.687 4.536
119 HG22 VAL 21 HG22 VAL 21 24.372 -0.526 3.815
120 HG23 VAL 21 HG23 VAL 21 24.413 -0.737 5.565
121 H GLY 22 HN GLY 22 27.139 2.431 7.863
122 HA2 GLY 22 HA2 GLY 22 24.528 3.518 8.423
123 HA3 GLY 22 HA1 GLY 22 26.065 4.130 9.027
124 H GLY 23 HN GLY 23 25.678 3.613 5.623
125 HA2 GLY 23 HA2 GLY 23 24.522 5.806 4.557
126 HA3 GLY 23 HA1 GLY 23 26.076 6.441 5.092
127 H GLY 24 HN GLY 24 25.086 3.350 3.607
128 HA2 GLY 24 HA2 GLY 24 26.014 2.181 1.851
129 HA3 GLY 24 HA1 GLY 24 26.080 3.753 1.052
130 H ILE 25 HN ILE 25 27.916 1.218 2.244
131 HA ILE 25 HA ILE 25 30.175 2.056 3.380
132 HB ILE 25 HB ILE 25 30.128 -0.154 2.703
133 HG12 ILE 25 HG12 ILE 25 32.144 -0.519 1.485
134 HG13 ILE 25 HG11 ILE 25 31.965 0.998 0.604
135 HG21 ILE 25 HG21 ILE 25 29.521 0.902 -0.049
136 HG22 ILE 25 HG22 ILE 25 28.492 -0.095 0.981
137 HG23 ILE 25 HG23 ILE 25 29.943 -0.785 0.250
138 HD11 ILE 25 HD11 ILE 25 31.956 1.566 3.413
139 HD12 ILE 25 HD12 ILE 25 33.117 2.081 2.191
140 HD13 ILE 25 HD13 ILE 25 33.353 0.557 3.047
141 H PHE 26 HN PHE 26 29.129 2.868 0.185
142 HA PHE 26 HA PHE 26 31.480 3.917 -0.897
143 HB2 PHE 26 HB2 PHE 26 29.386 3.637 -2.189
144 HB3 PHE 26 HB1 PHE 26 28.661 4.970 -1.290
145 HD1 PHE 26 HD1 PHE 26 31.617 4.130 -3.432
146 HD2 PHE 26 HD2 PHE 26 28.943 7.188 -2.031
147 HE1 PHE 26 HE1 PHE 26 32.640 5.749 -5.009
148 HE2 PHE 26 HE2 PHE 26 29.968 8.805 -3.608
149 HZ PHE 26 HZ PHE 26 31.815 8.086 -5.098
150 H THR 27 HN THR 27 29.064 5.496 1.216
151 HA THR 27 HA THR 27 30.151 8.079 1.156
152 HB THR 27 HB THR 27 28.769 6.644 3.437
153 HG1 THR 27 HG1 THR 27 27.591 6.777 1.472
154 HG21 THR 27 HG21 THR 27 29.644 9.465 2.996
155 HG22 THR 27 HG22 THR 27 29.589 8.527 4.489
156 HG23 THR 27 HG23 THR 27 28.102 9.189 3.807
157 H GLY 28 HN GLY 28 30.875 5.327 3.295
158 HA2 GLY 28 HA2 GLY 28 32.782 6.695 4.895
159 HA3 GLY 28 HA1 GLY 28 32.635 4.945 4.736
160 H VAL 29 HN VAL 29 33.091 4.644 2.006
161 HA VAL 29 HA VAL 29 35.913 4.670 1.887
162 HB VAL 29 HB VAL 29 33.738 4.144 -0.128
163 HG11 VAL 29 HG11 VAL 29 36.236 3.242 -1.110
164 HG12 VAL 29 HG12 VAL 29 36.450 4.934 -0.662
165 HG13 VAL 29 HG13 VAL 29 35.188 4.478 -1.805
166 HG21 VAL 29 HG21 VAL 29 34.900 2.619 1.870
167 HG22 VAL 29 HG22 VAL 29 35.814 2.145 0.439
168 HG23 VAL 29 HG23 VAL 29 34.059 1.975 0.460
169 H DBU 30 HN DHB 30 33.434 6.721 0.355
170 HB DBU 30 HB DHB 30 34.546 9.713 -1.976
171 HG1 DBU 30 HG1 DHB 30 34.094 8.227 -3.737
172 HG2 DBU 30 HG2 DHB 30 33.076 7.310 -2.625
173 HG3 DBU 30 HG3 DHB 30 34.787 6.910 -2.789
174 H VAL 31 HN VAL 31 33.560 8.531 1.997
175 HA VAL 31 HA VAL 31 34.277 11.202 2.594
176 HB VAL 31 HB VAL 31 33.372 8.873 4.280
177 HG11 VAL 31 HG11 VAL 31 33.102 10.628 6.085
178 HG12 VAL 31 HG12 VAL 31 34.100 11.696 5.097
179 HG13 VAL 31 HG13 VAL 31 34.773 10.193 5.727
180 HG21 VAL 31 HG21 VAL 31 31.285 9.798 4.060
181 HG22 VAL 31 HG22 VAL 31 31.983 10.484 2.593
182 HG23 VAL 31 HG23 VAL 31 31.906 11.448 4.067
183 H VAL 32 HN VAL 32 35.725 8.073 3.457
184 HA VAL 32 HA VAL 32 37.773 9.097 5.103
185 HB VAL 32 HB VAL 32 37.421 6.539 3.557
186 HG11 VAL 32 HG11 VAL 32 39.486 5.715 4.477
187 HG12 VAL 32 HG12 VAL 32 39.720 7.188 5.416
188 HG13 VAL 32 HG13 VAL 32 39.855 7.232 3.658
189 HG21 VAL 32 HG21 VAL 32 37.604 5.775 6.060
190 HG22 VAL 32 HG22 VAL 32 36.104 6.514 5.496
191 HG23 VAL 32 HG23 VAL 32 37.271 7.470 6.414
192 H VAL 33 HN VAL 33 37.688 8.325 1.638
193 HA VAL 33 HA VAL 33 40.397 8.877 1.116
194 HB VAL 33 HB VAL 33 39.584 9.259 -1.246
195 HG11 VAL 33 HG11 VAL 33 38.728 6.810 0.308
196 HG12 VAL 33 HG12 VAL 33 40.214 7.033 -0.614
197 HG13 VAL 33 HG13 VAL 33 38.669 6.895 -1.453
198 HG21 VAL 33 HG21 VAL 33 36.912 8.701 0.076
199 HG22 VAL 33 HG22 VAL 33 37.187 8.743 -1.664
200 HG23 VAL 33 HG23 VAL 33 37.390 10.208 -0.705
201 H DAL 34 HN DAL 34 37.530 10.939 1.134
202 HA DAL 34 HA DAL 34 37.328 13.209 1.286
203 HB1 DAL 34 HB2 DAL 34 39.724 13.177 -0.544
204 HB2 DAL 34 HB3 DAL 34 38.044 13.079 -1.050
205 H LEU 35 HN LEU 35 38.049 12.625 3.565
206 HA LEU 35 HA LEU 35 39.706 14.650 4.549
207 HB2 LEU 35 HB2 LEU 35 37.942 13.557 5.879
208 HB3 LEU 35 HB1 LEU 35 38.863 12.053 5.869
209 HG LEU 35 HG LEU 35 40.695 13.120 7.067
210 HD11 LEU 35 HD11 LEU 35 39.308 15.487 6.128
211 HD12 LEU 35 HD12 LEU 35 40.953 15.343 6.750
212 HD13 LEU 35 HD13 LEU 35 39.608 15.588 7.864
213 HD21 LEU 35 HD21 LEU 35 39.527 13.649 9.191
214 HD22 LEU 35 HD22 LEU 35 38.839 12.216 8.426
215 HD23 LEU 35 HD23 LEU 35 38.001 13.764 8.316
216 H LYS 36 HN LYS 36 40.334 11.217 3.924
217 HA LYS 36 HA LYS 36 42.940 11.150 5.011
218 HB2 LYS 36 HB2 LYS 36 41.596 9.474 2.885
219 HB3 LYS 36 HB1 LYS 36 43.209 9.133 3.512
220 HG2 LYS 36 HG2 LYS 36 40.734 9.377 5.245
221 HG3 LYS 36 HG1 LYS 36 41.396 7.845 4.675
222 HD2 LYS 36 HD2 LYS 36 43.534 8.353 5.798
223 HD3 LYS 36 HD1 LYS 36 42.867 9.880 6.374
224 HE2 LYS 36 HE2 LYS 36 41.118 8.659 7.608
225 HE3 LYS 36 HE1 LYS 36 41.773 7.129 7.028
226 HZ1 LYS 36 HZ1 LYS 36 42.622 7.552 9.204
227 HZ2 LYS 36 HZ2 LYS 36 43.142 9.109 8.764
228 HZ3 LYS 36 HZ3 LYS 36 43.896 7.739 8.101
229 H HIS 37 HN HIS 37 41.726 11.929 1.779
230 HA HIS 37 HA HIS 37 44.487 12.650 1.006
231 HB2 HIS 37 HB2 HIS 37 42.136 11.887 -0.739
232 HB3 HIS 37 HB1 HIS 37 43.727 12.368 -1.332
233 HD2 HIS 37 HD2 HIS 37 41.956 9.220 0.072
234 HE1 HIS 37 HE1 HIS 37 46.056 8.277 -0.287
235 HE2 HIS 37 HE2 HIS 37 43.745 7.319 0.151
236 H CYS 38 HN CYS 38 41.137 13.612 0.187
237 HA CYS 38 HA CYS 38 42.070 16.320 -0.374
238 HB2 CYS 38 HB2 CYS 38 40.092 16.608 -1.550
239 HB3 CYS 38 HB1 CYS 38 40.393 14.885 -1.778
Start of MODEL 15
1 H1 ABA 1 HT1 ABU 1 12.800 -12.319 -10.446
2 H2 ABA 1 HT2 ABU 1 14.390 -12.821 -10.770
3 H3 ABA 1 HT3 ABU 1 13.781 -11.404 -11.483
4 HA ABA 1 HA ABU 1 13.427 -10.693 -9.004
5 HB2 ABA 1 HB2 ABU 1 15.985 -12.129 -8.585
6 HG1 ABA 1 HG1 ABU 1 14.475 -14.114 -7.727
7 HG3 ABA 1 HG3 ABU 1 13.349 -13.523 -8.948
8 HG2 ABA 1 HG2 ABU 1 14.962 -14.053 -9.421
9 H DBU 2 HN DHB 2 16.559 -11.625 -10.475
10 HB DBU 2 HB DHB 2 19.100 -9.293 -12.161
11 HG1 DBU 2 HG1 DHB 2 17.540 -11.832 -12.743
12 HG2 DBU 2 HG2 DHB 2 19.199 -12.014 -12.173
13 HG3 DBU 2 HG3 DHB 2 18.872 -11.153 -13.677
14 HA PRO 3 HA PRO 3 18.118 -5.744 -10.002
15 HB2 PRO 3 HB2 PRO 3 15.709 -4.983 -11.575
16 HB3 PRO 3 HB1 PRO 3 17.302 -4.229 -11.526
17 HG2 PRO 3 HG2 PRO 3 16.542 -5.668 -13.607
18 HG3 PRO 3 HG1 PRO 3 18.211 -5.726 -13.009
19 HD2 PRO 3 HD2 PRO 3 16.018 -7.727 -12.655
20 HD3 PRO 3 HD1 PRO 3 17.751 -7.995 -12.879
21 H VAL 4 HN VAL 4 14.820 -7.047 -10.290
22 HA VAL 4 HA VAL 4 13.639 -5.479 -8.256
23 HB VAL 4 HB VAL 4 12.916 -8.195 -9.371
24 HG11 VAL 4 HG11 VAL 4 12.050 -7.064 -6.947
25 HG12 VAL 4 HG12 VAL 4 11.286 -8.388 -7.825
26 HG13 VAL 4 HG13 VAL 4 10.759 -6.728 -8.099
27 HG21 VAL 4 HG21 VAL 4 11.877 -5.379 -9.812
28 HG22 VAL 4 HG22 VAL 4 11.108 -6.829 -10.457
29 HG23 VAL 4 HG23 VAL 4 12.731 -6.384 -10.983
30 H CYS 5 HN CYS 5 15.084 -8.729 -8.193
31 HA CYS 5 HA CYS 5 14.603 -9.214 -5.440
32 HB2 CYS 5 HB2 CYS 5 16.464 -10.388 -7.487
33 HB3 CYS 5 HB1 CYS 5 16.579 -10.867 -5.792
34 H ALA 6 HN ALA 6 17.318 -7.789 -7.204
35 HA ALA 6 HA ALA 6 19.134 -7.616 -5.056
36 HB1 ALA 6 HB1 ALA 6 18.956 -5.577 -7.269
37 HB2 ALA 6 HB2 ALA 6 19.551 -7.211 -7.563
38 HB3 ALA 6 HB3 ALA 6 20.390 -6.159 -6.425
39 H VAL 7 HN VAL 7 16.674 -5.332 -6.234
40 HA VAL 7 HA VAL 7 17.269 -3.235 -4.445
41 HB VAL 7 HB VAL 7 14.714 -3.990 -5.876
42 HG11 VAL 7 HG11 VAL 7 13.827 -1.848 -5.245
43 HG12 VAL 7 HG12 VAL 7 15.352 -1.370 -4.500
44 HG13 VAL 7 HG13 VAL 7 14.368 -2.632 -3.762
45 HG21 VAL 7 HG21 VAL 7 17.175 -2.631 -6.597
46 HG22 VAL 7 HG22 VAL 7 15.794 -1.550 -6.775
47 HG23 VAL 7 HG23 VAL 7 15.820 -3.093 -7.627
48 H ALA 8 HN ALA 8 14.964 -5.935 -4.237
49 HA ALA 8 HA ALA 8 13.829 -5.207 -1.753
50 HB1 ALA 8 HB1 ALA 8 14.116 -8.074 -2.580
51 HB2 ALA 8 HB2 ALA 8 13.088 -6.995 -3.521
52 HB3 ALA 8 HB3 ALA 8 12.750 -7.265 -1.812
53 H ALA 9 HN ALA 9 16.630 -7.188 -2.611
54 HA ALA 9 HA ALA 9 17.179 -8.170 -0.011
55 HB1 ALA 9 HB1 ALA 9 19.485 -7.678 -1.792
56 HB2 ALA 9 HB2 ALA 9 18.196 -8.667 -2.479
57 HB3 ALA 9 HB3 ALA 9 18.980 -9.160 -0.979
58 H DBU 10 HN DHB 10 18.149 -5.228 -1.729
59 HB DBU 10 HB DHB 10 20.539 -2.537 -0.206
60 HG1 DBU 10 HG1 DHB 10 20.729 -4.793 -2.271
61 HG2 DBU 10 HG2 DHB 10 22.046 -3.745 -1.745
62 HG3 DBU 10 HG3 DHB 10 20.764 -3.102 -2.773
63 H ALA 11 HN ALA 11 16.641 -3.512 -0.062
64 HA ALA 11 HA ALA 11 16.623 -1.991 2.295
65 HB1 ALA 11 HB1 ALA 11 14.759 -2.681 0.395
66 HB2 ALA 11 HB2 ALA 11 14.409 -1.803 1.885
67 HB3 ALA 11 HB3 ALA 11 14.181 -3.550 1.818
68 H ALA 12 HN ALA 12 16.002 -5.454 1.781
69 HA ALA 12 HA ALA 12 15.379 -6.078 4.467
70 HB1 ALA 12 HB1 ALA 12 15.945 -7.540 1.997
71 HB2 ALA 12 HB2 ALA 12 14.818 -7.923 3.300
72 HB3 ALA 12 HB3 ALA 12 16.516 -8.378 3.440
73 H ALA 13 HN ALA 13 18.428 -5.916 2.699
74 HA ALA 13 HA ALA 13 20.082 -7.126 4.636
75 HB1 ALA 13 HB1 ALA 13 21.816 -6.517 3.277
76 HB2 ALA 13 HB2 ALA 13 21.194 -4.883 3.038
77 HB3 ALA 13 HB3 ALA 13 20.503 -6.230 2.135
78 H ALA 14 HN ALA 14 19.016 -3.780 4.196
79 HA ALA 14 HA ALA 14 20.657 -2.618 6.185
80 HB2 ALA 14 HB2 ALA 14 18.925 -1.642 4.322
81 HB3 ALA 14 HB3 ALA 14 17.987 -1.422 5.799
82 H DHA 15 HN DHA 15 17.473 -4.177 6.326
83 HB1 DHA 15 HB1 DHA 15 15.109 -4.688 7.599
84 HB2 DHA 15 HB2 DHA 15 15.334 -4.961 9.419
85 H ALA 16 HN ALA 16 19.221 -5.609 8.690
86 HA ALA 16 HA ALA 16 19.513 -4.928 11.520
87 HB1 ALA 16 HB1 ALA 16 19.814 -7.278 10.764
88 HB2 ALA 16 HB2 ALA 16 21.251 -6.630 11.553
89 HB3 ALA 16 HB3 ALA 16 21.194 -6.761 9.794
90 H ALA 17 HN ALA 17 21.434 -4.771 8.520
91 HA ALA 17 HA ALA 17 23.641 -3.402 9.601
92 HB1 ALA 17 HB1 ALA 17 22.663 -4.132 6.967
93 HB2 ALA 17 HB2 ALA 17 24.323 -3.920 7.524
94 HB3 ALA 17 HB3 ALA 17 23.399 -2.530 6.953
95 H CYS 18 HN CYS 18 20.784 -2.132 7.883
96 HA CYS 18 HA CYS 18 21.473 0.594 8.108
97 HB2 CYS 18 HB2 CYS 18 18.797 -0.781 7.791
98 HB3 CYS 18 HB1 CYS 18 19.009 0.968 7.726
99 H GLY 19 HN GLY 19 19.575 -1.553 10.187
100 HA2 GLY 19 HA2 GLY 19 18.713 0.440 12.018
101 HA3 GLY 19 HA1 GLY 19 18.757 -1.293 12.327
102 H TRP 20 HN TRP 20 21.343 -1.969 12.228
103 HA TRP 20 HA TRP 20 22.390 -0.962 14.677
104 HB2 TRP 20 HB2 TRP 20 23.507 -2.768 12.533
105 HB3 TRP 20 HB1 TRP 20 24.440 -2.314 13.957
106 HD1 TRP 20 HD1 TRP 20 21.504 -4.425 12.842
107 HE1 TRP 20 HE1 TRP 20 20.730 -5.903 14.817
108 HE3 TRP 20 HE3 TRP 20 24.298 -2.424 16.616
109 HZ2 TRP 20 HZ2 TRP 20 21.223 -6.200 17.605
110 HZ3 TRP 20 HZ3 TRP 20 24.127 -3.322 18.920
111 HH2 TRP 20 HH2 TRP 20 22.588 -5.209 19.403
112 H VAL 21 HN VAL 21 23.213 -0.428 11.270
113 HA VAL 21 HA VAL 21 25.016 0.861 10.430
114 HB VAL 21 HB VAL 21 22.925 2.623 11.699
115 HG11 VAL 21 HG11 VAL 21 24.417 4.319 11.547
116 HG12 VAL 21 HG12 VAL 21 24.208 4.169 9.804
117 HG13 VAL 21 HG13 VAL 21 25.547 3.348 10.605
118 HG21 VAL 21 HG21 VAL 21 21.965 2.643 9.587
119 HG22 VAL 21 HG22 VAL 21 22.699 1.040 9.569
120 HG23 VAL 21 HG23 VAL 21 23.505 2.388 8.770
121 H GLY 22 HN GLY 22 26.584 -0.017 12.078
122 HA2 GLY 22 HA2 GLY 22 27.202 1.716 14.328
123 HA3 GLY 22 HA1 GLY 22 28.057 0.246 13.872
124 H GLY 23 HN GLY 23 27.447 2.554 11.388
125 HA2 GLY 23 HA2 GLY 23 28.821 4.369 10.663
126 HA3 GLY 23 HA1 GLY 23 30.124 3.747 11.672
127 H GLY 24 HN GLY 24 29.312 0.974 10.574
128 HA2 GLY 24 HA2 GLY 24 31.341 0.750 8.630
129 HA3 GLY 24 HA1 GLY 24 30.096 -0.454 8.947
130 H ILE 25 HN ILE 25 27.811 1.059 8.324
131 HA ILE 25 HA ILE 25 27.701 0.752 5.515
132 HB ILE 25 HB ILE 25 25.665 0.511 6.684
133 HG12 ILE 25 HG12 ILE 25 24.215 2.014 5.554
134 HG13 ILE 25 HG11 ILE 25 25.420 3.302 5.569
135 HG21 ILE 25 HG21 ILE 25 26.744 2.497 8.362
136 HG22 ILE 25 HG22 ILE 25 25.240 1.609 8.594
137 HG23 ILE 25 HG23 ILE 25 25.231 3.152 7.738
138 HD11 ILE 25 HD11 ILE 25 26.402 2.547 3.679
139 HD12 ILE 25 HD12 ILE 25 24.960 1.550 3.465
140 HD13 ILE 25 HD13 ILE 25 26.387 0.877 4.249
141 H PHE 26 HN PHE 26 27.813 3.636 7.576
142 HA PHE 26 HA PHE 26 27.738 5.559 5.518
143 HB2 PHE 26 HB2 PHE 26 27.531 5.891 8.073
144 HB3 PHE 26 HB1 PHE 26 29.294 5.946 8.070
145 HD1 PHE 26 HD1 PHE 26 26.328 7.429 6.316
146 HD2 PHE 26 HD2 PHE 26 30.384 7.970 7.628
147 HE1 PHE 26 HE1 PHE 26 26.256 9.792 5.567
148 HE2 PHE 26 HE2 PHE 26 30.310 10.334 6.879
149 HZ PHE 26 HZ PHE 26 28.247 11.245 5.848
150 H THR 27 HN THR 27 30.370 3.656 6.854
151 HA THR 27 HA THR 27 32.537 5.106 5.774
152 HB THR 27 HB THR 27 32.426 2.111 6.190
153 HG1 THR 27 HG1 THR 27 32.556 2.468 8.271
154 HG21 THR 27 HG21 THR 27 34.655 2.172 5.862
155 HG22 THR 27 HG22 THR 27 34.838 3.548 6.949
156 HG23 THR 27 HG23 THR 27 34.436 3.812 5.253
157 H GLY 28 HN GLY 28 30.679 2.359 4.481
158 HA2 GLY 28 HA2 GLY 28 32.140 2.105 2.065
159 HA3 GLY 28 HA1 GLY 28 30.514 1.495 2.353
160 H VAL 29 HN VAL 29 29.186 3.895 2.907
161 HA VAL 29 HA VAL 29 28.619 4.837 0.298
162 HB VAL 29 HB VAL 29 27.791 5.587 3.067
163 HG11 VAL 29 HG11 VAL 29 26.331 7.314 1.517
164 HG12 VAL 29 HG12 VAL 29 27.918 7.418 0.756
165 HG13 VAL 29 HG13 VAL 29 27.737 7.781 2.472
166 HG21 VAL 29 HG21 VAL 29 25.960 4.434 2.431
167 HG22 VAL 29 HG22 VAL 29 26.787 4.045 0.923
168 HG23 VAL 29 HG23 VAL 29 25.752 5.469 1.019
169 H DBU 30 HN DHB 30 30.454 6.244 3.009
170 HB DBU 30 HB DHB 30 32.186 9.777 2.529
171 HG1 DBU 30 HG1 DHB 30 29.725 8.778 3.966
172 HG2 DBU 30 HG2 DHB 30 29.440 9.972 2.697
173 HG3 DBU 30 HG3 DHB 30 30.463 10.376 4.075
174 H VAL 31 HN VAL 31 32.687 5.571 2.246
175 HA VAL 31 HA VAL 31 35.194 6.314 1.145
176 HB VAL 31 HB VAL 31 33.881 3.647 1.663
177 HG11 VAL 31 HG11 VAL 31 36.524 3.075 1.342
178 HG12 VAL 31 HG12 VAL 31 36.314 4.328 0.119
179 HG13 VAL 31 HG13 VAL 31 35.321 2.873 0.070
180 HG21 VAL 31 HG21 VAL 31 36.360 4.830 2.917
181 HG22 VAL 31 HG22 VAL 31 35.313 3.559 3.547
182 HG23 VAL 31 HG23 VAL 31 34.751 5.231 3.518
183 H VAL 32 HN VAL 32 32.369 4.620 -0.198
184 HA VAL 32 HA VAL 32 33.471 4.091 -2.737
185 HB VAL 32 HB VAL 32 31.452 2.968 -1.919
186 HG11 VAL 32 HG11 VAL 32 29.894 5.490 -2.441
187 HG12 VAL 32 HG12 VAL 32 30.632 5.219 -0.863
188 HG13 VAL 32 HG13 VAL 32 29.436 4.082 -1.482
189 HG21 VAL 32 HG21 VAL 32 30.399 4.517 -4.232
190 HG22 VAL 32 HG22 VAL 32 30.528 2.772 -4.014
191 HG23 VAL 32 HG23 VAL 32 31.950 3.712 -4.464
192 H VAL 33 HN VAL 33 31.478 6.787 -1.559
193 HA VAL 33 HA VAL 33 31.220 8.169 -3.984
194 HB VAL 33 HB VAL 33 29.859 8.864 -2.162
195 HG11 VAL 33 HG11 VAL 33 30.629 9.419 -0.008
196 HG12 VAL 33 HG12 VAL 33 32.275 9.693 -0.574
197 HG13 VAL 33 HG13 VAL 33 31.640 8.055 -0.463
198 HG21 VAL 33 HG21 VAL 33 31.949 11.032 -2.294
199 HG22 VAL 33 HG22 VAL 33 30.197 11.214 -2.168
200 HG23 VAL 33 HG23 VAL 33 30.920 10.662 -3.678
201 H DAL 34 HN DAL 34 33.520 8.826 -1.336
202 HA DAL 34 HA DAL 34 35.635 9.709 -1.360
203 HB1 DAL 34 HB2 DAL 34 35.171 11.232 -3.850
204 HB2 DAL 34 HB3 DAL 34 34.051 11.539 -2.555
205 H LEU 35 HN LEU 35 34.963 7.248 -2.831
206 HA LEU 35 HA LEU 35 37.459 6.694 -4.000
207 HB2 LEU 35 HB2 LEU 35 35.652 5.072 -3.091
208 HB3 LEU 35 HB1 LEU 35 34.955 5.181 -4.706
209 HG LEU 35 HG LEU 35 37.107 4.473 -5.685
210 HD11 LEU 35 HD11 LEU 35 38.044 5.131 -3.046
211 HD12 LEU 35 HD12 LEU 35 38.990 4.722 -4.478
212 HD13 LEU 35 HD13 LEU 35 38.435 3.446 -3.394
213 HD21 LEU 35 HD21 LEU 35 36.476 2.516 -3.480
214 HD22 LEU 35 HD22 LEU 35 36.876 2.187 -5.166
215 HD23 LEU 35 HD23 LEU 35 35.294 2.845 -4.747
216 H LYS 36 HN LYS 36 34.601 8.165 -5.276
217 HA LYS 36 HA LYS 36 35.425 7.732 -8.051
218 HB2 LYS 36 HB2 LYS 36 32.999 9.057 -6.841
219 HB3 LYS 36 HB1 LYS 36 33.303 8.941 -8.575
220 HG2 LYS 36 HG2 LYS 36 33.421 6.462 -8.360
221 HG3 LYS 36 HG1 LYS 36 33.022 6.616 -6.648
222 HD2 LYS 36 HD2 LYS 36 30.907 7.763 -7.272
223 HD3 LYS 36 HD1 LYS 36 31.299 7.507 -8.971
224 HE2 LYS 36 HE2 LYS 36 31.029 5.276 -6.937
225 HE3 LYS 36 HE1 LYS 36 29.745 5.766 -8.041
226 HZ1 LYS 36 HZ1 LYS 36 31.102 5.206 -9.903
227 HZ2 LYS 36 HZ2 LYS 36 31.101 3.876 -8.846
228 HZ3 LYS 36 HZ3 LYS 36 32.448 4.909 -8.915
229 H HIS 37 HN HIS 37 34.786 10.431 -5.823
230 HA HIS 37 HA HIS 37 36.148 12.249 -7.700
231 HB2 HIS 37 HB2 HIS 37 34.641 13.083 -5.227
232 HB3 HIS 37 HB1 HIS 37 34.992 14.030 -6.676
233 HD2 HIS 37 HD2 HIS 37 32.546 11.108 -5.586
234 HE1 HIS 37 HE1 HIS 37 31.177 12.736 -9.237
235 HE2 HIS 37 HE2 HIS 37 30.641 11.096 -7.373
236 H CYS 38 HN CYS 38 36.429 10.766 -4.584
237 HA CYS 38 HA CYS 38 38.585 12.543 -3.752
238 HB2 CYS 38 HB2 CYS 38 37.453 10.149 -2.299
239 HB3 CYS 38 HB1 CYS 38 38.496 11.378 -1.638
Start of MODEL 16
1 H1 ABA 1 HT1 ABU 1 15.128 -12.416 -10.403
2 H2 ABA 1 HT2 ABU 1 16.666 -12.030 -11.014
3 H3 ABA 1 HT3 ABU 1 15.306 -11.136 -11.502
4 HA ABA 1 HA ABU 1 15.033 -10.209 -9.336
5 HB2 ABA 1 HB2 ABU 1 17.283 -12.115 -8.646
6 HG1 ABA 1 HG1 ABU 1 14.380 -11.956 -8.155
7 HG3 ABA 1 HG3 ABU 1 15.453 -13.355 -8.117
8 HG2 ABA 1 HG2 ABU 1 15.341 -12.291 -6.715
9 H DBU 2 HN DHB 2 18.481 -10.990 -9.800
10 HB DBU 2 HB DHB 2 21.015 -8.590 -11.521
11 HG1 DBU 2 HG1 DHB 2 19.390 -10.981 -12.433
12 HG2 DBU 2 HG2 DHB 2 21.035 -11.285 -11.871
13 HG3 DBU 2 HG3 DHB 2 20.755 -10.229 -13.257
14 HA PRO 3 HA PRO 3 20.258 -5.540 -8.586
15 HB2 PRO 3 HB2 PRO 3 19.335 -3.605 -10.294
16 HB3 PRO 3 HB1 PRO 3 20.943 -4.317 -10.401
17 HG2 PRO 3 HG2 PRO 3 18.503 -4.863 -11.967
18 HG3 PRO 3 HG1 PRO 3 20.197 -4.765 -12.488
19 HD2 PRO 3 HD2 PRO 3 18.937 -7.095 -12.091
20 HD3 PRO 3 HD1 PRO 3 20.672 -6.892 -11.814
21 H VAL 4 HN VAL 4 17.192 -6.068 -10.271
22 HA VAL 4 HA VAL 4 15.613 -4.246 -8.794
23 HB VAL 4 HB VAL 4 14.913 -6.801 -10.252
24 HG11 VAL 4 HG11 VAL 4 12.656 -6.427 -9.858
25 HG12 VAL 4 HG12 VAL 4 12.892 -4.710 -9.530
26 HG13 VAL 4 HG13 VAL 4 13.340 -5.909 -8.317
27 HG21 VAL 4 HG21 VAL 4 14.082 -5.243 -11.959
28 HG22 VAL 4 HG22 VAL 4 15.779 -4.908 -11.613
29 HG23 VAL 4 HG23 VAL 4 14.520 -3.871 -10.942
30 H CYS 5 HN CYS 5 16.151 -7.747 -8.375
31 HA CYS 5 HA CYS 5 14.703 -7.757 -5.857
32 HB2 CYS 5 HB2 CYS 5 14.954 -10.096 -5.893
33 HB3 CYS 5 HB1 CYS 5 14.785 -9.653 -7.591
34 H ALA 6 HN ALA 6 18.041 -8.105 -6.968
35 HA ALA 6 HA ALA 6 19.253 -8.647 -4.499
36 HB1 ALA 6 HB1 ALA 6 20.409 -7.034 -6.786
37 HB2 ALA 6 HB2 ALA 6 20.411 -8.795 -6.692
38 HB3 ALA 6 HB3 ALA 6 21.321 -7.848 -5.514
39 H VAL 7 HN VAL 7 18.653 -5.502 -6.089
40 HA VAL 7 HA VAL 7 19.755 -3.917 -4.024
41 HB VAL 7 HB VAL 7 17.694 -3.297 -6.149
42 HG11 VAL 7 HG11 VAL 7 19.153 -1.496 -4.206
43 HG12 VAL 7 HG12 VAL 7 17.410 -1.722 -4.344
44 HG13 VAL 7 HG13 VAL 7 18.300 -0.916 -5.636
45 HG21 VAL 7 HG21 VAL 7 20.409 -2.118 -6.179
46 HG22 VAL 7 HG22 VAL 7 19.459 -2.786 -7.506
47 HG23 VAL 7 HG23 VAL 7 20.353 -3.862 -6.432
48 H ALA 8 HN ALA 8 16.424 -4.974 -4.725
49 HA ALA 8 HA ALA 8 15.178 -3.577 -2.612
50 HB1 ALA 8 HB1 ALA 8 13.932 -4.587 -4.480
51 HB2 ALA 8 HB2 ALA 8 13.324 -5.161 -2.926
52 HB3 ALA 8 HB3 ALA 8 14.370 -6.194 -3.901
53 H ALA 9 HN ALA 9 16.562 -6.843 -2.782
54 HA ALA 9 HA ALA 9 15.806 -7.662 -0.181
55 HB1 ALA 9 HB1 ALA 9 18.128 -9.038 -0.682
56 HB2 ALA 9 HB2 ALA 9 17.587 -8.624 -2.308
57 HB3 ALA 9 HB3 ALA 9 16.526 -9.529 -1.230
58 H DBU 10 HN DHB 10 18.642 -5.948 -1.430
59 HB DBU 10 HB DHB 10 21.644 -4.849 0.825
60 HG1 DBU 10 HG1 DHB 10 22.590 -6.820 -0.283
61 HG2 DBU 10 HG2 DHB 10 22.114 -5.777 -1.625
62 HG3 DBU 10 HG3 DHB 10 21.080 -7.122 -1.142
63 H ALA 11 HN ALA 11 17.697 -3.791 -0.111
64 HA ALA 11 HA ALA 11 17.989 -2.012 2.052
65 HB1 ALA 11 HB1 ALA 11 15.233 -2.209 1.324
66 HB2 ALA 11 HB2 ALA 11 16.207 -2.364 -0.138
67 HB3 ALA 11 HB3 ALA 11 16.391 -0.949 0.899
68 H ALA 12 HN ALA 12 15.957 -4.904 1.663
69 HA ALA 12 HA ALA 12 14.664 -4.724 4.176
70 HB1 ALA 12 HB1 ALA 12 15.231 -7.374 2.904
71 HB2 ALA 12 HB2 ALA 12 14.180 -6.230 2.068
72 HB3 ALA 12 HB3 ALA 12 13.758 -6.799 3.685
73 H ALA 13 HN ALA 13 17.657 -6.288 3.125
74 HA ALA 13 HA ALA 13 18.205 -7.678 5.527
75 HB1 ALA 13 HB1 ALA 13 20.560 -7.703 4.682
76 HB2 ALA 13 HB2 ALA 13 20.057 -6.631 3.375
77 HB3 ALA 13 HB3 ALA 13 19.378 -8.255 3.495
78 H ALA 14 HN ALA 14 18.553 -4.353 4.600
79 HA ALA 14 HA ALA 14 20.523 -3.541 6.445
80 HB2 ALA 14 HB2 ALA 14 19.167 -2.291 4.463
81 HB3 ALA 14 HB3 ALA 14 18.329 -1.637 5.871
82 H DHA 15 HN DHA 15 17.018 -3.953 6.756
83 HB1 DHA 15 HB1 DHA 15 14.681 -3.335 8.096
84 HB2 DHA 15 HB2 DHA 15 14.864 -3.541 9.931
85 H ALA 16 HN ALA 16 18.365 -5.560 9.076
86 HA ALA 16 HA ALA 16 18.889 -5.026 11.904
87 HB1 ALA 16 HB1 ALA 16 19.354 -7.304 10.044
88 HB2 ALA 16 HB2 ALA 16 18.734 -7.303 11.695
89 HB3 ALA 16 HB3 ALA 16 20.463 -7.118 11.403
90 H ALA 17 HN ALA 17 20.824 -5.536 8.939
91 HA ALA 17 HA ALA 17 23.279 -4.699 10.045
92 HB1 ALA 17 HB1 ALA 17 24.102 -5.153 7.992
93 HB2 ALA 17 HB2 ALA 17 22.916 -4.127 7.186
94 HB3 ALA 17 HB3 ALA 17 22.487 -5.774 7.654
95 H CYS 18 HN CYS 18 20.906 -2.903 8.085
96 HA CYS 18 HA CYS 18 22.278 -0.447 8.059
97 HB2 CYS 18 HB2 CYS 18 19.335 -1.105 7.844
98 HB3 CYS 18 HB1 CYS 18 19.996 0.510 7.595
99 H GLY 19 HN GLY 19 19.916 -1.807 10.318
100 HA2 GLY 19 HA2 GLY 19 19.543 0.491 11.916
101 HA3 GLY 19 HA1 GLY 19 19.284 -1.171 12.442
102 H TRP 20 HN TRP 20 21.879 -2.177 12.129
103 HA TRP 20 HA TRP 20 23.087 -1.408 14.558
104 HB2 TRP 20 HB2 TRP 20 24.054 -3.012 12.197
105 HB3 TRP 20 HB1 TRP 20 25.083 -2.707 13.595
106 HD1 TRP 20 HD1 TRP 20 21.304 -3.551 13.480
107 HE1 TRP 20 HE1 TRP 20 20.920 -5.626 14.982
108 HE3 TRP 20 HE3 TRP 20 26.107 -4.605 14.865
109 HZ2 TRP 20 HZ2 TRP 20 22.391 -7.446 16.527
110 HZ3 TRP 20 HZ3 TRP 20 26.572 -6.528 16.361
111 HH2 TRP 20 HH2 TRP 20 24.701 -7.938 17.183
112 H VAL 21 HN VAL 21 23.726 -0.472 11.204
113 HA VAL 21 HA VAL 21 25.425 0.909 10.369
114 HB VAL 21 HB VAL 21 23.293 2.199 11.007
115 HG11 VAL 21 HG11 VAL 21 23.177 3.155 13.039
116 HG12 VAL 21 HG12 VAL 21 24.737 3.941 12.797
117 HG13 VAL 21 HG13 VAL 21 24.666 2.312 13.466
118 HG21 VAL 21 HG21 VAL 21 24.546 4.407 10.612
119 HG22 VAL 21 HG22 VAL 21 24.743 3.140 9.399
120 HG23 VAL 21 HG23 VAL 21 26.011 3.424 10.590
121 H GLY 22 HN GLY 22 26.700 -0.660 12.183
122 HA2 GLY 22 HA2 GLY 22 27.967 0.798 14.289
123 HA3 GLY 22 HA1 GLY 22 28.484 -0.759 13.644
124 H GLY 23 HN GLY 23 28.067 1.733 11.317
125 HA2 GLY 23 HA2 GLY 23 30.048 3.396 11.095
126 HA3 GLY 23 HA1 GLY 23 30.995 1.913 11.015
127 H GLY 24 HN GLY 24 28.247 0.966 9.667
128 HA2 GLY 24 HA2 GLY 24 29.229 0.894 7.024
129 HA3 GLY 24 HA1 GLY 24 27.574 0.538 7.509
130 H ILE 25 HN ILE 25 27.060 3.138 8.687
131 HA ILE 25 HA ILE 25 25.977 4.500 6.527
132 HB ILE 25 HB ILE 25 25.170 5.016 8.686
133 HG12 ILE 25 HG12 ILE 25 25.242 7.388 8.715
134 HG13 ILE 25 HG11 ILE 25 26.859 7.426 8.011
135 HG21 ILE 25 HG21 ILE 25 27.674 6.276 9.660
136 HG22 ILE 25 HG22 ILE 25 27.652 4.513 9.599
137 HG23 ILE 25 HG23 ILE 25 26.444 5.379 10.548
138 HD11 ILE 25 HD11 ILE 25 24.567 7.760 6.566
139 HD12 ILE 25 HD12 ILE 25 24.820 6.023 6.390
140 HD13 ILE 25 HD13 ILE 25 26.078 7.152 5.887
141 H PHE 26 HN PHE 26 28.846 5.473 8.383
142 HA PHE 26 HA PHE 26 29.665 7.534 6.654
143 HB2 PHE 26 HB2 PHE 26 30.563 7.265 8.937
144 HB3 PHE 26 HB1 PHE 26 31.388 5.789 8.439
145 HD1 PHE 26 HD1 PHE 26 31.136 9.443 7.702
146 HD2 PHE 26 HD2 PHE 26 33.510 5.876 7.403
147 HE1 PHE 26 HE1 PHE 26 33.050 10.786 6.878
148 HE2 PHE 26 HE2 PHE 26 35.425 7.220 6.579
149 HZ PHE 26 HZ PHE 26 35.195 9.674 6.316
150 H THR 27 HN THR 27 30.571 4.093 6.737
151 HA THR 27 HA THR 27 32.478 4.152 4.660
152 HB THR 27 HB THR 27 32.054 1.740 4.487
153 HG1 THR 27 HG1 THR 27 30.310 0.845 5.391
154 HG21 THR 27 HG21 THR 27 32.156 1.293 7.077
155 HG22 THR 27 HG22 THR 27 32.250 3.052 7.175
156 HG23 THR 27 HG23 THR 27 33.475 2.150 6.280
157 H GLY 28 HN GLY 28 29.766 2.129 3.955
158 HA2 GLY 28 HA2 GLY 28 29.441 2.224 1.391
159 HA3 GLY 28 HA1 GLY 28 28.011 2.512 2.375
160 H VAL 29 HN VAL 29 28.201 5.012 3.284
161 HA VAL 29 HA VAL 29 27.693 6.623 0.998
162 HB VAL 29 HB VAL 29 27.928 7.150 3.944
163 HG11 VAL 29 HG11 VAL 29 28.277 9.047 1.770
164 HG12 VAL 29 HG12 VAL 29 28.465 9.285 3.508
165 HG13 VAL 29 HG13 VAL 29 26.874 9.444 2.763
166 HG21 VAL 29 HG21 VAL 29 25.794 6.889 1.873
167 HG22 VAL 29 HG22 VAL 29 25.512 8.031 3.186
168 HG23 VAL 29 HG23 VAL 29 25.807 6.330 3.546
169 H DBU 30 HN DHB 30 30.362 6.616 3.359
170 HB DBU 30 HB DHB 30 33.438 9.031 2.848
171 HG1 DBU 30 HG1 DHB 30 30.749 9.852 3.779
172 HG2 DBU 30 HG2 DHB 30 32.308 10.435 4.360
173 HG3 DBU 30 HG3 DHB 30 31.614 8.958 5.029
174 H VAL 31 HN VAL 31 32.060 5.163 2.124
175 HA VAL 31 HA VAL 31 34.361 4.986 0.515
176 HB VAL 31 HB VAL 31 33.921 2.686 0.416
177 HG11 VAL 31 HG11 VAL 31 34.100 2.514 2.634
178 HG12 VAL 31 HG12 VAL 31 32.346 2.636 2.762
179 HG13 VAL 31 HG13 VAL 31 33.340 4.092 2.844
180 HG21 VAL 31 HG21 VAL 31 31.009 3.470 0.675
181 HG22 VAL 31 HG22 VAL 31 31.566 1.806 0.849
182 HG23 VAL 31 HG23 VAL 31 31.790 2.654 -0.681
183 H VAL 32 HN VAL 32 30.895 5.027 -0.271
184 HA VAL 32 HA VAL 32 31.163 4.500 -3.030
185 HB VAL 32 HB VAL 32 29.051 5.639 -1.265
186 HG11 VAL 32 HG11 VAL 32 28.972 5.842 -4.287
187 HG12 VAL 32 HG12 VAL 32 29.108 7.205 -3.176
188 HG13 VAL 32 HG13 VAL 32 27.646 6.220 -3.186
189 HG21 VAL 32 HG21 VAL 32 28.614 3.708 -3.503
190 HG22 VAL 32 HG22 VAL 32 27.909 3.726 -1.886
191 HG23 VAL 32 HG23 VAL 32 29.562 3.159 -2.121
192 H VAL 33 HN VAL 33 30.947 7.573 -1.243
193 HA VAL 33 HA VAL 33 31.055 9.269 -3.480
194 HB VAL 33 HB VAL 33 31.883 10.975 -1.829
195 HG11 VAL 33 HG11 VAL 33 29.689 11.235 -1.396
196 HG12 VAL 33 HG12 VAL 33 29.757 9.921 -0.223
197 HG13 VAL 33 HG13 VAL 33 29.402 9.575 -1.916
198 HG21 VAL 33 HG21 VAL 33 31.674 8.656 0.112
199 HG22 VAL 33 HG22 VAL 33 32.102 10.322 0.505
200 HG23 VAL 33 HG23 VAL 33 33.195 9.337 -0.466
201 H DAL 34 HN DAL 34 33.625 7.901 -1.464
202 HA DAL 34 HA DAL 34 35.850 7.598 -1.901
203 HB1 DAL 34 HB2 DAL 34 35.597 10.299 -3.219
204 HB2 DAL 34 HB3 DAL 34 35.871 10.028 -1.504
205 H LEU 35 HN LEU 35 34.831 5.897 -3.362
206 HA LEU 35 HA LEU 35 36.303 5.729 -5.741
207 HB2 LEU 35 HB2 LEU 35 35.424 3.772 -4.482
208 HB3 LEU 35 HB1 LEU 35 33.792 4.218 -4.975
209 HG LEU 35 HG LEU 35 34.394 3.957 -7.330
210 HD11 LEU 35 HD11 LEU 35 37.046 4.127 -6.226
211 HD12 LEU 35 HD12 LEU 35 36.560 4.170 -7.922
212 HD13 LEU 35 HD13 LEU 35 36.897 2.625 -7.139
213 HD21 LEU 35 HD21 LEU 35 33.580 1.928 -6.443
214 HD22 LEU 35 HD22 LEU 35 35.013 1.685 -5.444
215 HD23 LEU 35 HD23 LEU 35 35.106 1.454 -7.191
216 H LYS 36 HN LYS 36 32.944 6.725 -5.114
217 HA LYS 36 HA LYS 36 32.103 6.856 -7.791
218 HB2 LYS 36 HB2 LYS 36 30.587 6.867 -5.819
219 HB3 LYS 36 HB1 LYS 36 31.149 8.494 -5.433
220 HG2 LYS 36 HG2 LYS 36 29.114 8.714 -6.669
221 HG3 LYS 36 HG1 LYS 36 30.438 9.189 -7.731
222 HD2 LYS 36 HD2 LYS 36 30.371 7.125 -8.920
223 HD3 LYS 36 HD1 LYS 36 29.349 6.371 -7.696
224 HE2 LYS 36 HE2 LYS 36 27.488 7.835 -8.293
225 HE3 LYS 36 HE1 LYS 36 28.504 8.700 -9.443
226 HZ1 LYS 36 HZ1 LYS 36 26.948 6.714 -10.170
227 HZ2 LYS 36 HZ2 LYS 36 28.311 5.799 -9.730
228 HZ3 LYS 36 HZ3 LYS 36 28.441 7.001 -10.924
229 H HIS 37 HN HIS 37 33.772 9.140 -5.682
230 HA HIS 37 HA HIS 37 33.997 10.985 -7.986
231 HB2 HIS 37 HB2 HIS 37 33.892 11.643 -5.038
232 HB3 HIS 37 HB1 HIS 37 34.188 12.813 -6.325
233 HD2 HIS 37 HD2 HIS 37 31.201 11.226 -4.528
234 HE1 HIS 37 HE1 HIS 37 29.666 12.927 -8.074
235 HE2 HIS 37 HE2 HIS 37 29.043 11.897 -5.838
236 H CYS 38 HN CYS 38 35.626 10.303 -4.864
237 HA CYS 38 HA CYS 38 38.189 11.034 -6.057
238 HB2 CYS 38 HB2 CYS 38 38.977 11.256 -3.894
239 HB3 CYS 38 HB1 CYS 38 37.270 11.640 -3.668
Start of MODEL 17
1 H1 ABA 1 HT1 ABU 1 5.242 -17.900 -3.227
2 H2 ABA 1 HT2 ABU 1 4.325 -16.990 -4.330
3 H3 ABA 1 HT3 ABU 1 4.022 -16.867 -2.662
4 HA ABA 1 HA ABU 1 5.231 -14.965 -3.035
5 HB2 ABA 1 HB2 ABU 1 7.676 -16.584 -2.652
6 HG1 ABA 1 HG1 ABU 1 5.129 -17.135 -1.180
7 HG3 ABA 1 HG3 ABU 1 6.434 -18.240 -1.609
8 HG2 ABA 1 HG2 ABU 1 6.635 -17.123 -0.260
9 H DBU 2 HN DHB 2 6.654 -17.700 -4.818
10 HB DBU 2 HB DHB 2 7.999 -17.563 -8.420
11 HG1 DBU 2 HG1 DHB 2 7.101 -19.761 -6.949
12 HG2 DBU 2 HG2 DHB 2 6.421 -19.334 -8.519
13 HG3 DBU 2 HG3 DHB 2 5.632 -18.789 -7.040
14 HA PRO 3 HA PRO 3 10.097 -13.860 -7.898
15 HB2 PRO 3 HB2 PRO 3 8.540 -12.183 -9.416
16 HB3 PRO 3 HB1 PRO 3 9.374 -13.596 -10.055
17 HG2 PRO 3 HG2 PRO 3 6.545 -13.219 -9.307
18 HG3 PRO 3 HG1 PRO 3 7.256 -14.114 -10.665
19 HD2 PRO 3 HD2 PRO 3 6.356 -15.324 -8.449
20 HD3 PRO 3 HD1 PRO 3 7.714 -15.958 -9.388
21 H VAL 4 HN VAL 4 6.904 -13.317 -6.600
22 HA VAL 4 HA VAL 4 7.175 -10.602 -5.843
23 HB VAL 4 HB VAL 4 5.472 -12.859 -4.785
24 HG11 VAL 4 HG11 VAL 4 5.258 -11.589 -2.915
25 HG12 VAL 4 HG12 VAL 4 4.292 -10.522 -3.935
26 HG13 VAL 4 HG13 VAL 4 6.003 -10.183 -3.676
27 HG21 VAL 4 HG21 VAL 4 3.874 -12.083 -6.237
28 HG22 VAL 4 HG22 VAL 4 5.281 -11.481 -7.112
29 HG23 VAL 4 HG23 VAL 4 4.375 -10.403 -6.050
30 H CYS 5 HN CYS 5 7.757 -13.626 -4.056
31 HA CYS 5 HA CYS 5 8.635 -12.337 -1.669
32 HB2 CYS 5 HB2 CYS 5 9.017 -15.147 -2.716
33 HB3 CYS 5 HB1 CYS 5 9.552 -14.619 -1.120
34 H ALA 6 HN ALA 6 10.320 -13.732 -4.459
35 HA ALA 6 HA ALA 6 12.951 -13.411 -3.515
36 HB1 ALA 6 HB1 ALA 6 12.424 -14.775 -5.477
37 HB2 ALA 6 HB2 ALA 6 13.602 -13.532 -5.896
38 HB3 ALA 6 HB3 ALA 6 11.911 -13.336 -6.358
39 H VAL 7 HN VAL 7 10.932 -11.248 -5.517
40 HA VAL 7 HA VAL 7 12.856 -9.199 -5.780
41 HB VAL 7 HB VAL 7 9.840 -9.195 -5.959
42 HG11 VAL 7 HG11 VAL 7 10.764 -6.973 -7.318
43 HG12 VAL 7 HG12 VAL 7 11.758 -6.981 -5.861
44 HG13 VAL 7 HG13 VAL 7 10.001 -6.952 -5.729
45 HG21 VAL 7 HG21 VAL 7 11.170 -8.540 -8.384
46 HG22 VAL 7 HG22 VAL 7 10.267 -10.010 -8.016
47 HG23 VAL 7 HG23 VAL 7 12.002 -9.941 -7.707
48 H ALA 8 HN ALA 8 10.180 -9.665 -3.482
49 HA ALA 8 HA ALA 8 10.529 -7.250 -2.064
50 HB1 ALA 8 HB1 ALA 8 8.496 -8.566 -1.832
51 HB2 ALA 8 HB2 ALA 8 9.263 -8.395 -0.253
52 HB3 ALA 8 HB3 ALA 8 9.410 -9.909 -1.146
53 H ALA 9 HN ALA 9 11.981 -10.449 -1.698
54 HA ALA 9 HA ALA 9 13.277 -10.007 0.770
55 HB1 ALA 9 HB1 ALA 9 14.840 -11.837 -0.066
56 HB2 ALA 9 HB2 ALA 9 13.887 -11.840 -1.550
57 HB3 ALA 9 HB3 ALA 9 13.127 -12.251 -0.012
58 H DBU 10 HN DHB 10 14.209 -9.296 -2.569
59 HB DBU 10 HB DHB 10 17.677 -7.747 -3.526
60 HG1 DBU 10 HG1 DHB 10 18.066 -10.139 -4.007
61 HG2 DBU 10 HG2 DHB 10 16.726 -9.671 -5.054
62 HG3 DBU 10 HG3 DHB 10 16.409 -10.537 -3.550
63 H ALA 11 HN ALA 11 14.074 -6.480 -2.423
64 HA ALA 11 HA ALA 11 15.443 -4.153 -1.618
65 HB1 ALA 11 HB1 ALA 11 12.849 -4.805 -2.453
66 HB2 ALA 11 HB2 ALA 11 13.474 -3.192 -2.106
67 HB3 ALA 11 HB3 ALA 11 12.653 -4.110 -0.844
68 H ALA 12 HN ALA 12 13.567 -6.532 0.224
69 HA ALA 12 HA ALA 12 13.705 -5.180 2.718
70 HB1 ALA 12 HB1 ALA 12 12.187 -6.791 3.088
71 HB2 ALA 12 HB2 ALA 12 13.543 -7.899 3.299
72 HB3 ALA 12 HB3 ALA 12 12.766 -7.746 1.723
73 H ALA 13 HN ALA 13 15.814 -7.482 1.089
74 HA ALA 13 HA ALA 13 17.488 -8.145 3.247
75 HB1 ALA 13 HB1 ALA 13 18.252 -7.888 0.328
76 HB2 ALA 13 HB2 ALA 13 17.491 -9.307 1.048
77 HB3 ALA 13 HB3 ALA 13 19.108 -8.820 1.557
78 H ALA 14 HN ALA 14 17.550 -5.433 0.979
79 HA ALA 14 HA ALA 14 20.049 -4.354 1.668
80 HB2 ALA 14 HB2 ALA 14 19.112 -3.382 -0.226
81 HB3 ALA 14 HB3 ALA 14 17.524 -3.215 0.525
82 H DHA 15 HN DHA 15 16.803 -3.659 2.978
83 HB1 DHA 15 HB1 DHA 15 15.186 -2.006 4.450
84 HB2 DHA 15 HB2 DHA 15 15.901 -1.653 6.123
85 H ALA 16 HN ALA 16 18.615 -4.741 5.238
86 HA ALA 16 HA ALA 16 19.962 -3.634 7.571
87 HB1 ALA 16 HB1 ALA 16 21.140 -5.994 7.328
88 HB2 ALA 16 HB2 ALA 16 19.750 -6.326 6.295
89 HB3 ALA 16 HB3 ALA 16 19.506 -5.860 7.977
90 H ALA 17 HN ALA 17 20.840 -4.854 4.341
91 HA ALA 17 HA ALA 17 23.607 -4.037 4.681
92 HB1 ALA 17 HB1 ALA 17 22.944 -4.617 1.949
93 HB2 ALA 17 HB2 ALA 17 22.188 -5.824 2.990
94 HB3 ALA 17 HB3 ALA 17 23.930 -5.562 3.064
95 H CYS 18 HN CYS 18 21.348 -3.306 2.022
96 HA CYS 18 HA CYS 18 22.645 -0.972 1.188
97 HB2 CYS 18 HB2 CYS 18 20.752 -0.577 -0.161
98 HB3 CYS 18 HB1 CYS 18 20.861 -2.329 -0.026
99 H GLY 19 HN GLY 19 19.984 -1.443 3.435
100 HA2 GLY 19 HA2 GLY 19 19.392 1.273 3.946
101 HA3 GLY 19 HA1 GLY 19 19.051 -0.061 5.046
102 H TRP 20 HN TRP 20 21.692 -0.978 5.479
103 HA TRP 20 HA TRP 20 22.587 1.005 7.388
104 HB2 TRP 20 HB2 TRP 20 23.589 -1.746 6.647
105 HB3 TRP 20 HB1 TRP 20 24.327 -0.750 7.896
106 HD1 TRP 20 HD1 TRP 20 20.576 -1.333 7.135
107 HE1 TRP 20 HE1 TRP 20 19.450 -2.156 9.318
108 HE3 TRP 20 HE3 TRP 20 24.634 -1.626 10.224
109 HZ2 TRP 20 HZ2 TRP 20 20.143 -2.837 11.962
110 HZ3 TRP 20 HZ3 TRP 20 24.360 -2.368 12.574
111 HH2 TRP 20 HH2 TRP 20 22.107 -2.969 13.427
112 H VAL 21 HN VAL 21 24.553 -0.884 5.084
113 HA VAL 21 HA VAL 21 26.535 -0.315 4.057
114 HB VAL 21 HB VAL 21 25.138 2.182 3.203
115 HG11 VAL 21 HG11 VAL 21 26.066 1.357 0.987
116 HG12 VAL 21 HG12 VAL 21 26.871 0.077 1.896
117 HG13 VAL 21 HG13 VAL 21 27.282 1.765 2.199
118 HG21 VAL 21 HG21 VAL 21 23.693 0.942 1.724
119 HG22 VAL 21 HG22 VAL 21 23.465 0.284 3.344
120 HG23 VAL 21 HG23 VAL 21 24.456 -0.583 2.173
121 H GLY 22 HN GLY 22 25.939 0.931 6.810
122 HA2 GLY 22 HA2 GLY 22 27.220 3.490 6.827
123 HA3 GLY 22 HA1 GLY 22 26.870 2.490 8.234
124 H GLY 23 HN GLY 23 28.485 0.618 6.025
125 HA2 GLY 23 HA2 GLY 23 31.038 1.010 7.462
126 HA3 GLY 23 HA1 GLY 23 30.546 -0.472 6.647
127 H GLY 24 HN GLY 24 30.047 -0.059 4.198
128 HA2 GLY 24 HA2 GLY 24 32.474 0.659 2.945
129 HA3 GLY 24 HA1 GLY 24 30.946 0.361 2.122
130 H ILE 25 HN ILE 25 29.402 2.394 3.353
131 HA ILE 25 HA ILE 25 30.082 4.616 1.720
132 HB ILE 25 HB ILE 25 27.782 3.813 2.764
133 HG12 ILE 25 HG12 ILE 25 28.150 5.641 1.099
134 HG13 ILE 25 HG11 ILE 25 26.881 6.029 2.263
135 HG21 ILE 25 HG21 ILE 25 27.118 5.135 4.689
136 HG22 ILE 25 HG22 ILE 25 28.673 5.968 4.700
137 HG23 ILE 25 HG23 ILE 25 28.590 4.254 5.100
138 HD11 ILE 25 HD11 ILE 25 29.702 7.084 2.142
139 HD12 ILE 25 HD12 ILE 25 28.764 7.160 3.634
140 HD13 ILE 25 HD13 ILE 25 28.192 7.993 2.188
141 H PHE 26 HN PHE 26 30.375 3.984 5.188
142 HA PHE 26 HA PHE 26 31.275 6.541 5.970
143 HB2 PHE 26 HB2 PHE 26 30.517 4.816 7.571
144 HB3 PHE 26 HB1 PHE 26 31.947 3.853 7.199
145 HD1 PHE 26 HD1 PHE 26 30.868 7.198 8.463
146 HD2 PHE 26 HD2 PHE 26 34.000 4.265 8.290
147 HE1 PHE 26 HE1 PHE 26 32.177 8.499 10.119
148 HE2 PHE 26 HE2 PHE 26 35.310 5.566 9.946
149 HZ PHE 26 HZ PHE 26 34.399 7.683 10.861
150 H THR 27 HN THR 27 33.062 3.631 4.965
151 HA THR 27 HA THR 27 35.658 4.630 5.365
152 HB THR 27 HB THR 27 34.814 2.722 3.173
153 HG1 THR 27 HG1 THR 27 34.213 1.473 4.725
154 HG21 THR 27 HG21 THR 27 37.040 2.746 2.808
155 HG22 THR 27 HG22 THR 27 37.193 1.894 4.345
156 HG23 THR 27 HG23 THR 27 37.346 3.650 4.291
157 H GLY 28 HN GLY 28 33.580 4.708 2.474
158 HA2 GLY 28 HA2 GLY 28 35.434 6.068 0.809
159 HA3 GLY 28 HA1 GLY 28 33.694 5.978 0.553
160 H VAL 29 HN VAL 29 32.814 7.199 2.934
161 HA VAL 29 HA VAL 29 33.003 9.941 2.251
162 HB VAL 29 HB VAL 29 31.886 8.454 4.622
163 HG11 VAL 29 HG11 VAL 29 32.665 11.248 4.451
164 HG12 VAL 29 HG12 VAL 29 32.049 10.340 5.831
165 HG13 VAL 29 HG13 VAL 29 30.926 11.081 4.690
166 HG21 VAL 29 HG21 VAL 29 30.798 8.568 2.274
167 HG22 VAL 29 HG22 VAL 29 30.485 10.263 2.649
168 HG23 VAL 29 HG23 VAL 29 29.790 8.993 3.657
169 H DBU 30 HN DHB 30 34.457 8.005 4.865
170 HB DBU 30 HB DHB 30 36.929 9.755 7.416
171 HG1 DBU 30 HG1 DHB 30 33.920 9.915 7.298
172 HG2 DBU 30 HG2 DHB 30 34.963 10.178 8.697
173 HG3 DBU 30 HG3 DHB 30 34.568 8.535 8.187
174 H VAL 31 HN VAL 31 36.604 7.645 3.725
175 HA VAL 31 HA VAL 31 39.388 8.129 3.606
176 HB VAL 31 HB VAL 31 37.423 6.803 1.748
177 HG11 VAL 31 HG11 VAL 31 40.309 7.522 1.317
178 HG12 VAL 31 HG12 VAL 31 38.970 7.561 0.170
179 HG13 VAL 31 HG13 VAL 31 39.679 6.018 0.647
180 HG21 VAL 31 HG21 VAL 31 38.149 4.865 2.719
181 HG22 VAL 31 HG22 VAL 31 38.607 5.937 4.043
182 HG23 VAL 31 HG23 VAL 31 39.812 5.438 2.855
183 H VAL 32 HN VAL 32 36.669 9.297 1.633
184 HA VAL 32 HA VAL 32 38.202 10.776 -0.209
185 HB VAL 32 HB VAL 32 35.347 10.713 0.640
186 HG11 VAL 32 HG11 VAL 32 36.611 12.990 -0.912
187 HG12 VAL 32 HG12 VAL 32 35.761 13.110 0.627
188 HG13 VAL 32 HG13 VAL 32 34.876 12.681 -0.837
189 HG21 VAL 32 HG21 VAL 32 35.620 9.344 -1.184
190 HG22 VAL 32 HG22 VAL 32 37.027 10.233 -1.768
191 HG23 VAL 32 HG23 VAL 32 35.404 10.860 -2.060
192 H VAL 33 HN VAL 33 36.641 11.735 2.838
193 HA VAL 33 HA VAL 33 37.306 14.468 2.733
194 HB VAL 33 HB VAL 33 37.041 14.348 5.240
195 HG11 VAL 33 HG11 VAL 33 34.621 13.278 4.964
196 HG12 VAL 33 HG12 VAL 33 35.042 13.353 3.252
197 HG13 VAL 33 HG13 VAL 33 35.019 14.827 4.221
198 HG21 VAL 33 HG21 VAL 33 36.566 11.419 4.613
199 HG22 VAL 33 HG22 VAL 33 36.279 12.188 6.173
200 HG23 VAL 33 HG23 VAL 33 37.920 12.066 5.539
201 H DAL 34 HN DAL 34 39.051 11.672 4.057
202 HA DAL 34 HA DAL 34 41.290 11.407 4.491
203 HB1 DAL 34 HB2 DAL 34 41.002 14.194 5.608
204 HB2 DAL 34 HB3 DAL 34 40.639 12.709 6.475
205 H LEU 35 HN LEU 35 41.348 11.512 2.040
206 HA LEU 35 HA LEU 35 43.619 12.941 1.205
207 HB2 LEU 35 HB2 LEU 35 42.771 10.840 0.148
208 HB3 LEU 35 HB1 LEU 35 41.426 11.765 -0.521
209 HG LEU 35 HG LEU 35 42.965 13.201 -1.750
210 HD11 LEU 35 HD11 LEU 35 45.437 11.889 -1.543
211 HD12 LEU 35 HD12 LEU 35 44.854 12.015 0.119
212 HD13 LEU 35 HD13 LEU 35 45.031 13.469 -0.866
213 HD21 LEU 35 HD21 LEU 35 44.291 10.926 -2.750
214 HD22 LEU 35 HD22 LEU 35 42.768 11.600 -3.331
215 HD23 LEU 35 HD23 LEU 35 42.761 10.328 -2.110
216 H LYS 36 HN LYS 36 40.146 13.604 0.869
217 HA LYS 36 HA LYS 36 40.329 15.800 -0.872
218 HB2 LYS 36 HB2 LYS 36 38.238 14.576 -0.397
219 HB3 LYS 36 HB1 LYS 36 38.235 15.249 1.234
220 HG2 LYS 36 HG2 LYS 36 38.035 17.471 0.411
221 HG3 LYS 36 HG1 LYS 36 38.333 16.959 -1.249
222 HD2 LYS 36 HD2 LYS 36 36.250 15.656 -1.220
223 HD3 LYS 36 HD1 LYS 36 35.945 16.168 0.438
224 HE2 LYS 36 HE2 LYS 36 34.649 17.580 -1.078
225 HE3 LYS 36 HE1 LYS 36 35.931 18.547 -0.348
226 HZ1 LYS 36 HZ1 LYS 36 36.597 17.191 -2.830
227 HZ2 LYS 36 HZ2 LYS 36 37.021 18.745 -2.290
228 HZ3 LYS 36 HZ3 LYS 36 35.483 18.463 -2.957
229 H HIS 37 HN HIS 37 40.638 15.500 2.614
230 HA HIS 37 HA HIS 37 41.288 18.381 2.736
231 HB2 HIS 37 HB2 HIS 37 39.889 16.684 4.813
232 HB3 HIS 37 HB1 HIS 37 40.414 18.351 5.061
233 HD2 HIS 37 HD2 HIS 37 37.334 16.519 3.774
234 HE1 HIS 37 HE1 HIS 37 37.076 20.425 2.194
235 HE2 HIS 37 HE2 HIS 37 35.805 18.259 2.568
236 H CYS 38 HN CYS 38 41.663 15.407 4.704
237 HA CYS 38 HA CYS 38 44.265 16.353 5.622
238 HB2 CYS 38 HB2 CYS 38 44.081 14.789 7.316
239 HB3 CYS 38 HB1 CYS 38 42.382 15.145 7.009
Start of MODEL 18
1 H1 ABA 1 HT1 ABU 1 4.241 -13.245 -8.223
2 H2 ABA 1 HT2 ABU 1 3.766 -14.081 -6.822
3 H3 ABA 1 HT3 ABU 1 4.991 -14.712 -7.817
4 HA ABA 1 HA ABU 1 5.164 -12.179 -6.277
5 HB2 ABA 1 HB2 ABU 1 6.986 -14.446 -5.711
6 HG1 ABA 1 HG1 ABU 1 4.033 -14.527 -5.020
7 HG3 ABA 1 HG3 ABU 1 4.942 -15.731 -5.933
8 HG2 ABA 1 HG2 ABU 1 5.256 -15.508 -4.211
9 H DBU 2 HN DHB 2 6.738 -14.619 -8.337
10 HB DBU 2 HB DHB 2 9.364 -13.864 -11.048
11 HG1 DBU 2 HG1 DHB 2 7.907 -15.357 -12.133
12 HG2 DBU 2 HG2 DHB 2 6.580 -14.411 -11.459
13 HG3 DBU 2 HG3 DHB 2 7.198 -15.812 -10.584
14 HA PRO 3 HA PRO 3 11.758 -11.354 -8.527
15 HB2 PRO 3 HB2 PRO 3 11.341 -8.942 -9.773
16 HB3 PRO 3 HB1 PRO 3 12.064 -10.338 -10.558
17 HG2 PRO 3 HG2 PRO 3 9.304 -9.291 -10.690
18 HG3 PRO 3 HG1 PRO 3 10.329 -9.965 -11.971
19 HD2 PRO 3 HD2 PRO 3 8.392 -11.385 -10.795
20 HD3 PRO 3 HD1 PRO 3 9.882 -12.134 -11.375
21 H VAL 4 HN VAL 4 8.483 -10.150 -8.280
22 HA VAL 4 HA VAL 4 8.928 -7.955 -6.557
23 HB VAL 4 HB VAL 4 6.544 -9.769 -6.954
24 HG11 VAL 4 HG11 VAL 4 5.821 -7.264 -5.799
25 HG12 VAL 4 HG12 VAL 4 7.086 -7.965 -4.791
26 HG13 VAL 4 HG13 VAL 4 5.610 -8.875 -5.112
27 HG21 VAL 4 HG21 VAL 4 7.122 -8.352 -8.863
28 HG22 VAL 4 HG22 VAL 4 7.217 -6.937 -7.815
29 HG23 VAL 4 HG23 VAL 4 5.664 -7.727 -8.093
30 H CYS 5 HN CYS 5 8.153 -11.364 -5.876
31 HA CYS 5 HA CYS 5 8.197 -11.072 -3.044
32 HB2 CYS 5 HB2 CYS 5 8.470 -13.488 -4.838
33 HB3 CYS 5 HB1 CYS 5 8.398 -13.584 -3.078
34 H ALA 6 HN ALA 6 10.602 -12.087 -5.434
35 HA ALA 6 HA ALA 6 12.627 -12.825 -3.604
36 HB1 ALA 6 HB1 ALA 6 12.772 -11.852 -6.463
37 HB2 ALA 6 HB2 ALA 6 12.802 -13.522 -5.897
38 HB3 ALA 6 HB3 ALA 6 14.164 -12.453 -5.563
39 H VAL 7 HN VAL 7 11.790 -9.732 -5.108
40 HA VAL 7 HA VAL 7 14.057 -8.287 -4.259
41 HB VAL 7 HB VAL 7 11.243 -7.443 -4.955
42 HG11 VAL 7 HG11 VAL 7 13.680 -5.727 -4.413
43 HG12 VAL 7 HG12 VAL 7 12.244 -5.822 -3.396
44 HG13 VAL 7 HG13 VAL 7 12.130 -5.145 -5.020
45 HG21 VAL 7 HG21 VAL 7 13.568 -6.603 -6.565
46 HG22 VAL 7 HG22 VAL 7 12.022 -7.272 -7.088
47 HG23 VAL 7 HG23 VAL 7 13.307 -8.347 -6.534
48 H ALA 8 HN ALA 8 10.852 -8.753 -2.793
49 HA ALA 8 HA ALA 8 11.264 -7.075 -0.557
50 HB1 ALA 8 HB1 ALA 8 9.069 -7.554 -0.478
51 HB2 ALA 8 HB2 ALA 8 9.527 -9.068 0.300
52 HB3 ALA 8 HB3 ALA 8 9.279 -9.012 -1.446
53 H ALA 9 HN ALA 9 11.948 -10.490 -1.137
54 HA ALA 9 HA ALA 9 12.610 -11.202 1.516
55 HB1 ALA 9 HB1 ALA 9 13.755 -13.119 0.506
56 HB2 ALA 9 HB2 ALA 9 13.679 -12.346 -1.076
57 HB3 ALA 9 HB3 ALA 9 12.195 -12.853 -0.271
58 H DBU 10 HN DHB 10 14.522 -9.841 -1.142
59 HB DBU 10 HB DHB 10 18.406 -9.219 -0.632
60 HG1 DBU 10 HG1 DHB 10 17.573 -11.911 -0.955
61 HG2 DBU 10 HG2 DHB 10 18.599 -11.052 -2.104
62 HG3 DBU 10 HG3 DHB 10 16.852 -11.092 -2.340
63 H ALA 11 HN ALA 11 14.438 -7.643 -0.126
64 HA ALA 11 HA ALA 11 15.810 -5.410 0.920
65 HB1 ALA 11 HB1 ALA 11 13.155 -5.092 1.681
66 HB2 ALA 11 HB2 ALA 11 13.065 -6.120 0.250
67 HB3 ALA 11 HB3 ALA 11 13.873 -4.554 0.163
68 H ALA 12 HN ALA 12 13.821 -7.905 2.489
69 HA ALA 12 HA ALA 12 13.903 -6.811 5.093
70 HB1 ALA 12 HB1 ALA 12 13.773 -9.763 4.506
71 HB2 ALA 12 HB2 ALA 12 12.407 -8.694 4.180
72 HB3 ALA 12 HB3 ALA 12 13.016 -8.871 5.826
73 H ALA 13 HN ALA 13 15.967 -9.195 3.458
74 HA ALA 13 HA ALA 13 17.646 -9.734 5.677
75 HB1 ALA 13 HB1 ALA 13 17.372 -10.822 3.212
76 HB2 ALA 13 HB2 ALA 13 18.775 -11.095 4.245
77 HB3 ALA 13 HB3 ALA 13 18.841 -9.874 2.973
78 H ALA 14 HN ALA 14 17.752 -7.319 3.106
79 HA ALA 14 HA ALA 14 20.348 -6.346 3.580
80 HB2 ALA 14 HB2 ALA 14 19.469 -5.531 1.604
81 HB3 ALA 14 HB3 ALA 14 17.880 -5.233 2.311
82 H DHA 15 HN DHA 15 17.201 -5.413 4.953
83 HB1 DHA 15 HB1 DHA 15 15.643 -3.600 6.287
84 HB2 DHA 15 HB2 DHA 15 16.446 -3.023 7.855
85 H ALA 16 HN ALA 16 19.083 -6.195 7.280
86 HA ALA 16 HA ALA 16 20.609 -4.744 9.292
87 HB1 ALA 16 HB1 ALA 16 19.802 -7.431 8.935
88 HB2 ALA 16 HB2 ALA 16 20.744 -6.755 10.265
89 HB3 ALA 16 HB3 ALA 16 21.564 -7.416 8.850
90 H ALA 17 HN ALA 17 21.263 -6.593 6.309
91 HA ALA 17 HA ALA 17 24.055 -5.878 6.316
92 HB1 ALA 17 HB1 ALA 17 23.899 -6.825 3.922
93 HB2 ALA 17 HB2 ALA 17 22.237 -7.245 4.338
94 HB3 ALA 17 HB3 ALA 17 23.577 -7.931 5.258
95 H CYS 18 HN CYS 18 21.659 -5.265 3.750
96 HA CYS 18 HA CYS 18 23.067 -3.128 2.598
97 HB2 CYS 18 HB2 CYS 18 21.124 -2.760 1.286
98 HB3 CYS 18 HB1 CYS 18 21.185 -4.495 1.580
99 H GLY 19 HN GLY 19 20.357 -3.162 4.861
100 HA2 GLY 19 HA2 GLY 19 19.916 -0.419 5.091
101 HA3 GLY 19 HA1 GLY 19 19.612 -1.586 6.376
102 H TRP 20 HN TRP 20 22.198 -2.499 6.885
103 HA TRP 20 HA TRP 20 23.208 -0.447 8.565
104 HB2 TRP 20 HB2 TRP 20 24.227 -3.137 7.703
105 HB3 TRP 20 HB1 TRP 20 25.237 -2.067 8.667
106 HD1 TRP 20 HD1 TRP 20 21.429 -2.540 8.957
107 HE1 TRP 20 HE1 TRP 20 20.899 -3.329 11.366
108 HE3 TRP 20 HE3 TRP 20 26.158 -3.070 10.825
109 HZ2 TRP 20 HZ2 TRP 20 22.249 -4.071 13.721
110 HZ3 TRP 20 HZ3 TRP 20 26.493 -3.822 13.166
111 HH2 TRP 20 HH2 TRP 20 24.528 -4.318 14.600
112 H VAL 21 HN VAL 21 24.148 -1.627 5.378
113 HA VAL 21 HA VAL 21 26.252 0.425 5.250
114 HB VAL 21 HB VAL 21 25.680 -1.995 3.526
115 HG11 VAL 21 HG11 VAL 21 26.990 0.422 2.857
116 HG12 VAL 21 HG12 VAL 21 26.970 -1.082 1.935
117 HG13 VAL 21 HG13 VAL 21 28.252 -0.783 3.109
118 HG21 VAL 21 HG21 VAL 21 26.954 -1.802 5.975
119 HG22 VAL 21 HG22 VAL 21 28.292 -1.672 4.834
120 HG23 VAL 21 HG23 VAL 21 27.228 -3.077 4.788
121 H GLY 22 HN GLY 22 24.918 2.229 4.902
122 HA2 GLY 22 HA2 GLY 22 23.190 2.231 2.530
123 HA3 GLY 22 HA1 GLY 22 23.264 3.488 3.762
124 H GLY 23 HN GLY 23 26.333 2.440 2.893
125 HA2 GLY 23 HA2 GLY 23 27.779 3.158 1.126
126 HA3 GLY 23 HA1 GLY 23 26.632 4.440 0.748
127 H GLY 24 HN GLY 24 26.669 4.532 3.962
128 HA2 GLY 24 HA2 GLY 24 28.187 6.911 4.151
129 HA3 GLY 24 HA1 GLY 24 27.583 5.969 5.511
130 H ILE 25 HN ILE 25 28.947 3.529 4.807
131 HA ILE 25 HA ILE 25 31.373 3.897 6.173
132 HB ILE 25 HB ILE 25 30.467 1.739 6.256
133 HG12 ILE 25 HG12 ILE 25 32.196 0.311 5.346
134 HG13 ILE 25 HG11 ILE 25 32.650 1.543 4.167
135 HG21 ILE 25 HG21 ILE 25 30.568 0.958 3.459
136 HG22 ILE 25 HG22 ILE 25 29.486 2.329 3.711
137 HG23 ILE 25 HG23 ILE 25 29.237 0.832 4.607
138 HD11 ILE 25 HD11 ILE 25 32.671 2.626 6.861
139 HD12 ILE 25 HD12 ILE 25 33.965 2.596 5.663
140 HD13 ILE 25 HD13 ILE 25 33.726 1.218 6.737
141 H PHE 26 HN PHE 26 31.043 2.803 2.807
142 HA PHE 26 HA PHE 26 33.704 3.336 2.084
143 HB2 PHE 26 HB2 PHE 26 32.237 1.855 0.781
144 HB3 PHE 26 HB1 PHE 26 31.247 3.240 0.317
145 HD1 PHE 26 HD1 PHE 26 34.753 1.942 0.194
146 HD2 PHE 26 HD2 PHE 26 31.815 4.535 -1.563
147 HE1 PHE 26 HE1 PHE 26 36.298 2.419 -1.686
148 HE2 PHE 26 HE2 PHE 26 33.360 5.013 -3.442
149 HZ PHE 26 HZ PHE 26 35.601 3.955 -3.505
150 H THR 27 HN THR 27 30.751 5.272 1.662
151 HA THR 27 HA THR 27 31.958 7.424 0.293
152 HB THR 27 HB THR 27 29.524 7.403 2.093
153 HG1 THR 27 HG1 THR 27 28.907 6.213 0.461
154 HG21 THR 27 HG21 THR 27 28.928 9.425 0.666
155 HG22 THR 27 HG22 THR 27 30.607 9.430 0.128
156 HG23 THR 27 HG23 THR 27 30.227 9.674 1.833
157 H GLY 28 HN GLY 28 31.325 6.891 3.752
158 HA2 GLY 28 HA2 GLY 28 32.350 9.373 4.651
159 HA3 GLY 28 HA1 GLY 28 32.151 7.928 5.634
160 H VAL 29 HN VAL 29 33.841 6.148 4.379
161 HA VAL 29 HA VAL 29 36.362 6.898 5.417
162 HB VAL 29 HB VAL 29 35.265 4.540 4.910
163 HG11 VAL 29 HG11 VAL 29 36.370 3.517 2.921
164 HG12 VAL 29 HG12 VAL 29 36.939 5.119 2.451
165 HG13 VAL 29 HG13 VAL 29 35.211 4.773 2.486
166 HG21 VAL 29 HG21 VAL 29 38.238 4.935 4.529
167 HG22 VAL 29 HG22 VAL 29 37.417 3.571 5.288
168 HG23 VAL 29 HG23 VAL 29 37.443 5.142 6.089
169 H DBU 30 HN DHB 30 35.033 6.801 2.141
170 HB DBU 30 HB DHB 30 37.236 7.759 -0.979
171 HG1 DBU 30 HG1 DHB 30 37.842 5.288 -0.399
172 HG2 DBU 30 HG2 DHB 30 36.356 5.457 -1.334
173 HG3 DBU 30 HG3 DHB 30 36.277 5.192 0.407
174 H VAL 31 HN VAL 31 34.656 9.360 1.896
175 HA VAL 31 HA VAL 31 35.584 11.812 0.847
176 HB VAL 31 HB VAL 31 33.253 11.049 1.885
177 HG11 VAL 31 HG11 VAL 31 32.885 11.940 4.096
178 HG12 VAL 31 HG12 VAL 31 34.509 12.625 4.148
179 HG13 VAL 31 HG13 VAL 31 34.289 10.877 4.184
180 HG21 VAL 31 HG21 VAL 31 32.918 13.051 0.907
181 HG22 VAL 31 HG22 VAL 31 34.553 13.588 1.292
182 HG23 VAL 31 HG23 VAL 31 33.263 13.772 2.479
183 H VAL 32 HN VAL 32 35.954 10.295 4.036
184 HA VAL 32 HA VAL 32 37.294 12.430 5.300
185 HB VAL 32 HB VAL 32 37.328 9.441 5.777
186 HG11 VAL 32 HG11 VAL 32 39.019 9.747 7.216
187 HG12 VAL 32 HG12 VAL 32 38.054 10.935 8.091
188 HG13 VAL 32 HG13 VAL 32 39.100 11.450 6.769
189 HG21 VAL 32 HG21 VAL 32 36.003 11.712 7.293
190 HG22 VAL 32 HG22 VAL 32 35.816 9.986 7.605
191 HG23 VAL 32 HG23 VAL 32 35.177 10.688 6.119
192 H VAL 33 HN VAL 33 38.537 9.567 3.569
193 HA VAL 33 HA VAL 33 41.268 10.122 4.000
194 HB VAL 33 HB VAL 33 41.650 8.650 2.041
195 HG11 VAL 33 HG11 VAL 33 39.920 6.805 3.047
196 HG12 VAL 33 HG12 VAL 33 39.927 7.990 4.354
197 HG13 VAL 33 HG13 VAL 33 41.438 7.247 3.830
198 HG21 VAL 33 HG21 VAL 33 38.629 8.638 1.852
199 HG22 VAL 33 HG22 VAL 33 39.741 7.705 0.853
200 HG23 VAL 33 HG23 VAL 33 39.699 9.463 0.720
201 H DAL 34 HN DAL 34 39.042 11.030 1.398
202 HA DAL 34 HA DAL 34 39.199 12.652 -0.221
203 HB1 DAL 34 HB2 DAL 34 42.144 12.643 -0.016
204 HB2 DAL 34 HB3 DAL 34 41.341 11.223 -0.652
205 H LEU 35 HN LEU 35 38.668 13.496 2.265
206 HA LEU 35 HA LEU 35 39.356 16.222 2.227
207 HB2 LEU 35 HB2 LEU 35 37.962 14.367 4.096
208 HB3 LEU 35 HB1 LEU 35 38.482 15.915 4.742
209 HG LEU 35 HG LEU 35 36.236 16.199 3.908
210 HD11 LEU 35 HD11 LEU 35 36.564 18.045 2.503
211 HD12 LEU 35 HD12 LEU 35 37.907 17.280 1.653
212 HD13 LEU 35 HD13 LEU 35 38.133 17.888 3.293
213 HD21 LEU 35 HD21 LEU 35 37.325 14.660 1.574
214 HD22 LEU 35 HD22 LEU 35 36.010 15.801 1.298
215 HD23 LEU 35 HD23 LEU 35 35.794 14.462 2.426
216 H LYS 36 HN LYS 36 40.578 13.502 4.147
217 HA LYS 36 HA LYS 36 42.326 15.022 5.774
218 HB2 LYS 36 HB2 LYS 36 42.310 12.117 4.997
219 HB3 LYS 36 HB1 LYS 36 43.502 12.808 6.100
220 HG2 LYS 36 HG2 LYS 36 41.504 13.742 7.414
221 HG3 LYS 36 HG1 LYS 36 40.510 12.645 6.460
222 HD2 LYS 36 HD2 LYS 36 42.921 11.771 8.047
223 HD3 LYS 36 HD1 LYS 36 41.269 11.688 8.656
224 HE2 LYS 36 HE2 LYS 36 40.696 10.316 6.597
225 HE3 LYS 36 HE1 LYS 36 42.426 10.231 6.269
226 HZ1 LYS 36 HZ1 LYS 36 42.022 9.596 8.957
227 HZ2 LYS 36 HZ2 LYS 36 42.581 8.584 7.713
228 HZ3 LYS 36 HZ3 LYS 36 40.919 8.681 8.050
229 H HIS 37 HN HIS 37 42.738 13.391 2.661
230 HA HIS 37 HA HIS 37 45.407 14.660 2.457
231 HB2 HIS 37 HB2 HIS 37 44.441 12.145 1.077
232 HB3 HIS 37 HB1 HIS 37 46.072 12.821 1.018
233 HD2 HIS 37 HD2 HIS 37 43.810 10.759 3.464
234 HE1 HIS 37 HE1 HIS 37 47.597 11.217 5.280
235 HE2 HIS 37 HE2 HIS 37 45.349 10.047 5.452
236 H CYS 38 HN CYS 38 43.678 13.067 -0.132
237 HA CYS 38 HA CYS 38 44.101 15.088 -2.010
238 HB2 CYS 38 HB2 CYS 38 42.882 13.764 -3.472
239 HB3 CYS 38 HB1 CYS 38 43.363 12.576 -2.259
Start of MODEL 19
1 H1 ABA 1 HT1 ABU 1 14.165 -12.419 -11.295
2 H2 ABA 1 HT2 ABU 1 14.122 -13.680 -10.156
3 H3 ABA 1 HT3 ABU 1 15.605 -13.177 -10.816
4 HA ABA 1 HA ABU 1 13.850 -11.645 -8.978
5 HB2 ABA 1 HB2 ABU 1 16.714 -12.067 -8.396
6 HG1 ABA 1 HG1 ABU 1 14.762 -14.390 -8.318
7 HG3 ABA 1 HG3 ABU 1 16.133 -14.250 -9.419
8 HG2 ABA 1 HG2 ABU 1 16.409 -14.405 -7.684
9 H DBU 2 HN DHB 2 16.964 -11.634 -10.752
10 HB DBU 2 HB DHB 2 18.357 -8.606 -12.706
11 HG1 DBU 2 HG1 DHB 2 17.913 -10.227 -14.447
12 HG2 DBU 2 HG2 DHB 2 17.132 -11.325 -13.309
13 HG3 DBU 2 HG3 DHB 2 18.889 -11.183 -13.332
14 HA PRO 3 HA PRO 3 17.742 -5.847 -9.477
15 HB2 PRO 3 HB2 PRO 3 15.662 -4.339 -10.438
16 HB3 PRO 3 HB1 PRO 3 17.222 -4.467 -11.228
17 HG2 PRO 3 HG2 PRO 3 14.659 -5.816 -11.825
18 HG3 PRO 3 HG1 PRO 3 15.885 -5.170 -12.932
19 HD2 PRO 3 HD2 PRO 3 15.676 -7.789 -12.379
20 HD3 PRO 3 HD1 PRO 3 17.226 -7.032 -12.744
21 H VAL 4 HN VAL 4 14.634 -7.451 -9.837
22 HA VAL 4 HA VAL 4 13.239 -6.210 -7.726
23 HB VAL 4 HB VAL 4 12.996 -8.982 -8.913
24 HG11 VAL 4 HG11 VAL 4 10.930 -7.563 -7.225
25 HG12 VAL 4 HG12 VAL 4 12.111 -8.665 -6.514
26 HG13 VAL 4 HG13 VAL 4 10.964 -9.257 -7.716
27 HG21 VAL 4 HG21 VAL 4 12.152 -6.313 -9.691
28 HG22 VAL 4 HG22 VAL 4 10.760 -7.373 -9.472
29 HG23 VAL 4 HG23 VAL 4 12.042 -7.821 -10.598
30 H CYS 5 HN CYS 5 15.199 -9.184 -7.791
31 HA CYS 5 HA CYS 5 14.877 -9.780 -5.031
32 HB2 CYS 5 HB2 CYS 5 16.939 -10.620 -7.072
33 HB3 CYS 5 HB1 CYS 5 16.921 -11.226 -5.414
34 H ALA 6 HN ALA 6 17.314 -7.987 -6.860
35 HA ALA 6 HA ALA 6 19.148 -7.586 -4.755
36 HB1 ALA 6 HB1 ALA 6 18.901 -6.799 -7.460
37 HB2 ALA 6 HB2 ALA 6 20.302 -6.605 -6.405
38 HB3 ALA 6 HB3 ALA 6 19.101 -5.319 -6.521
39 H VAL 7 HN VAL 7 16.327 -5.716 -5.818
40 HA VAL 7 HA VAL 7 16.703 -3.521 -4.074
41 HB VAL 7 HB VAL 7 14.256 -4.645 -5.443
42 HG11 VAL 7 HG11 VAL 7 14.573 -2.170 -3.727
43 HG12 VAL 7 HG12 VAL 7 13.466 -3.515 -3.464
44 HG13 VAL 7 HG13 VAL 7 13.222 -2.428 -4.829
45 HG21 VAL 7 HG21 VAL 7 15.811 -3.670 -6.991
46 HG22 VAL 7 HG22 VAL 7 16.123 -2.307 -5.920
47 HG23 VAL 7 HG23 VAL 7 14.561 -2.456 -6.724
48 H ALA 8 HN ALA 8 14.816 -6.518 -3.773
49 HA ALA 8 HA ALA 8 13.704 -5.929 -1.234
50 HB1 ALA 8 HB1 ALA 8 14.026 -8.737 -1.484
51 HB2 ALA 8 HB2 ALA 8 13.676 -8.108 -3.093
52 HB3 ALA 8 HB3 ALA 8 12.568 -7.785 -1.760
53 H ALA 9 HN ALA 9 16.679 -7.552 -2.242
54 HA ALA 9 HA ALA 9 17.467 -8.486 0.309
55 HB1 ALA 9 HB1 ALA 9 18.453 -8.703 -2.258
56 HB2 ALA 9 HB2 ALA 9 19.255 -9.292 -0.802
57 HB3 ALA 9 HB3 ALA 9 19.668 -7.707 -1.457
58 H DBU 10 HN DHB 10 17.979 -5.418 -1.383
59 HB DBU 10 HB DHB 10 20.125 -2.511 0.151
60 HG1 DBU 10 HG1 DHB 10 20.215 -4.378 -2.253
61 HG2 DBU 10 HG2 DHB 10 21.650 -4.259 -1.234
62 HG3 DBU 10 HG3 DHB 10 21.041 -2.831 -2.071
63 H ALA 11 HN ALA 11 16.335 -3.813 0.157
64 HA ALA 11 HA ALA 11 16.089 -2.276 2.490
65 HB1 ALA 11 HB1 ALA 11 13.684 -3.569 2.346
66 HB2 ALA 11 HB2 ALA 11 14.277 -3.750 0.695
67 HB3 ALA 11 HB3 ALA 11 14.107 -2.142 1.399
68 H ALA 12 HN ALA 12 15.689 -5.784 2.005
69 HA ALA 12 HA ALA 12 15.071 -6.396 4.699
70 HB1 ALA 12 HB1 ALA 12 16.143 -8.013 2.395
71 HB2 ALA 12 HB2 ALA 12 14.538 -8.066 3.125
72 HB3 ALA 12 HB3 ALA 12 15.923 -8.724 3.994
73 H ALA 13 HN ALA 13 18.124 -6.202 2.927
74 HA ALA 13 HA ALA 13 19.784 -7.257 4.965
75 HB1 ALA 13 HB1 ALA 13 20.813 -7.179 2.878
76 HB2 ALA 13 HB2 ALA 13 21.552 -5.805 3.702
77 HB3 ALA 13 HB3 ALA 13 20.245 -5.542 2.547
78 H ALA 14 HN ALA 14 18.612 -4.006 4.264
79 HA ALA 14 HA ALA 14 20.259 -2.590 6.064
80 HB2 ALA 14 HB2 ALA 14 18.395 -1.869 4.226
81 HB3 ALA 14 HB3 ALA 14 17.494 -1.607 5.721
82 H DHA 15 HN DHA 15 17.184 -4.292 6.494
83 HB1 DHA 15 HB1 DHA 15 14.884 -4.724 7.932
84 HB2 DHA 15 HB2 DHA 15 15.222 -4.881 9.749
85 H ALA 16 HN ALA 16 19.120 -5.437 8.777
86 HA ALA 16 HA ALA 16 19.541 -4.666 11.566
87 HB1 ALA 16 HB1 ALA 16 21.172 -6.468 9.761
88 HB2 ALA 16 HB2 ALA 16 19.944 -7.006 10.906
89 HB3 ALA 16 HB3 ALA 16 21.420 -6.241 11.492
90 H ALA 17 HN ALA 17 21.330 -4.524 8.479
91 HA ALA 17 HA ALA 17 23.463 -2.945 9.424
92 HB1 ALA 17 HB1 ALA 17 23.661 -2.314 6.936
93 HB2 ALA 17 HB2 ALA 17 22.286 -3.389 6.683
94 HB3 ALA 17 HB3 ALA 17 23.790 -4.025 7.348
95 H CYS 18 HN CYS 18 20.490 -1.987 7.701
96 HA CYS 18 HA CYS 18 20.973 0.778 7.686
97 HB2 CYS 18 HB2 CYS 18 18.408 -0.818 7.656
98 HB3 CYS 18 HB1 CYS 18 18.451 0.936 7.484
99 H GLY 19 HN GLY 19 19.421 -1.312 10.079
100 HA2 GLY 19 HA2 GLY 19 18.730 0.896 11.821
101 HA3 GLY 19 HA1 GLY 19 18.542 -0.818 12.179
102 H TRP 20 HN TRP 20 20.768 -1.990 12.357
103 HA TRP 20 HA TRP 20 22.122 -0.962 14.596
104 HB2 TRP 20 HB2 TRP 20 22.805 -3.133 12.619
105 HB3 TRP 20 HB1 TRP 20 23.856 -2.741 13.973
106 HD1 TRP 20 HD1 TRP 20 20.151 -3.673 13.349
107 HE1 TRP 20 HE1 TRP 20 19.331 -5.041 15.392
108 HE3 TRP 20 HE3 TRP 20 24.309 -3.497 16.314
109 HZ2 TRP 20 HZ2 TRP 20 20.282 -5.934 17.907
110 HZ3 TRP 20 HZ3 TRP 20 24.322 -4.616 18.527
111 HH2 TRP 20 HH2 TRP 20 22.300 -5.830 19.308
112 H VAL 21 HN VAL 21 22.888 -0.839 11.140
113 HA VAL 21 HA VAL 21 24.842 0.009 10.129
114 HB VAL 21 HB VAL 21 22.969 1.674 10.065
115 HG11 VAL 21 HG11 VAL 21 24.341 3.395 12.035
116 HG12 VAL 21 HG12 VAL 21 23.492 2.010 12.721
117 HG13 VAL 21 HG13 VAL 21 22.617 3.183 11.737
118 HG21 VAL 21 HG21 VAL 21 24.344 3.444 9.256
119 HG22 VAL 21 HG22 VAL 21 25.266 1.964 8.991
120 HG23 VAL 21 HG23 VAL 21 25.659 3.015 10.351
121 H GLY 22 HN GLY 22 26.409 -1.065 11.558
122 HA2 GLY 22 HA2 GLY 22 27.456 0.342 13.842
123 HA3 GLY 22 HA1 GLY 22 28.146 -1.094 13.093
124 H GLY 23 HN GLY 23 27.405 1.770 11.233
125 HA2 GLY 23 HA2 GLY 23 28.879 3.550 10.643
126 HA3 GLY 23 HA1 GLY 23 30.233 2.591 11.232
127 H GLY 24 HN GLY 24 28.220 0.592 9.503
128 HA2 GLY 24 HA2 GLY 24 30.068 0.166 7.407
129 HA3 GLY 24 HA1 GLY 24 28.423 -0.459 7.465
130 H ILE 25 HN ILE 25 27.162 2.149 7.659
131 HA ILE 25 HA ILE 25 26.867 2.724 4.902
132 HB ILE 25 HB ILE 25 25.307 3.173 7.010
133 HG12 ILE 25 HG12 ILE 25 24.669 3.405 4.629
134 HG13 ILE 25 HG11 ILE 25 24.027 4.737 5.593
135 HG21 ILE 25 HG21 ILE 25 25.300 5.581 7.570
136 HG22 ILE 25 HG22 ILE 25 26.727 5.815 6.559
137 HG23 ILE 25 HG23 ILE 25 26.831 4.828 8.018
138 HD11 ILE 25 HD11 ILE 25 26.322 5.889 4.923
139 HD12 ILE 25 HD12 ILE 25 24.944 5.921 3.821
140 HD13 ILE 25 HD13 ILE 25 26.241 4.751 3.579
141 H PHE 26 HN PHE 26 28.620 4.338 7.519
142 HA PHE 26 HA PHE 26 29.434 6.627 6.085
143 HB2 PHE 26 HB2 PHE 26 29.634 6.465 8.525
144 HB3 PHE 26 HB1 PHE 26 30.837 5.187 8.355
145 HD1 PHE 26 HD1 PHE 26 30.140 8.739 7.413
146 HD2 PHE 26 HD2 PHE 26 33.116 5.715 8.084
147 HE1 PHE 26 HE1 PHE 26 31.926 10.446 7.185
148 HE2 PHE 26 HE2 PHE 26 34.902 7.422 7.855
149 HZ PHE 26 HZ PHE 26 34.306 9.787 7.405
150 H THR 27 HN THR 27 30.989 3.454 6.518
151 HA THR 27 HA THR 27 33.380 4.016 5.147
152 HB THR 27 HB THR 27 31.861 1.405 5.402
153 HG1 THR 27 HG1 THR 27 32.443 1.985 7.392
154 HG21 THR 27 HG21 THR 27 34.720 1.155 5.169
155 HG22 THR 27 HG22 THR 27 34.090 2.054 3.790
156 HG23 THR 27 HG23 THR 27 33.464 0.447 4.154
157 H GLY 28 HN GLY 28 30.320 2.627 3.956
158 HA2 GLY 28 HA2 GLY 28 31.143 2.367 1.252
159 HA3 GLY 28 HA1 GLY 28 29.477 2.409 1.822
160 H VAL 29 HN VAL 29 29.483 4.962 3.030
161 HA VAL 29 HA VAL 29 28.984 6.624 0.792
162 HB VAL 29 HB VAL 29 29.179 7.138 3.756
163 HG11 VAL 29 HG11 VAL 29 28.566 9.413 3.406
164 HG12 VAL 29 HG12 VAL 29 28.298 9.152 1.681
165 HG13 VAL 29 HG13 VAL 29 29.934 9.120 2.336
166 HG21 VAL 29 HG21 VAL 29 26.805 7.534 1.945
167 HG22 VAL 29 HG22 VAL 29 26.832 7.191 3.674
168 HG23 VAL 29 HG23 VAL 29 27.222 5.919 2.516
169 H DBU 30 HN DHB 30 31.639 6.523 3.170
170 HB DBU 30 HB DHB 30 34.662 9.053 2.788
171 HG1 DBU 30 HG1 DHB 30 32.122 10.070 3.638
172 HG2 DBU 30 HG2 DHB 30 33.615 10.172 4.571
173 HG3 DBU 30 HG3 DHB 30 32.522 8.805 4.802
174 H VAL 31 HN VAL 31 33.125 5.201 1.738
175 HA VAL 31 HA VAL 31 35.522 5.087 0.209
176 HB VAL 31 HB VAL 31 33.244 3.154 0.634
177 HG11 VAL 31 HG11 VAL 31 35.749 2.880 -1.049
178 HG12 VAL 31 HG12 VAL 31 34.079 2.661 -1.568
179 HG13 VAL 31 HG13 VAL 31 34.821 1.495 -0.474
180 HG21 VAL 31 HG21 VAL 31 36.152 2.895 1.410
181 HG22 VAL 31 HG22 VAL 31 34.762 2.038 2.070
182 HG23 VAL 31 HG23 VAL 31 34.998 3.746 2.437
183 H VAL 32 HN VAL 32 32.070 5.106 -0.638
184 HA VAL 32 HA VAL 32 32.378 4.764 -3.410
185 HB VAL 32 HB VAL 32 30.242 4.784 -1.843
186 HG11 VAL 32 HG11 VAL 32 30.377 7.601 -2.959
187 HG12 VAL 32 HG12 VAL 32 30.370 7.148 -1.255
188 HG13 VAL 32 HG13 VAL 32 28.936 6.878 -2.243
189 HG21 VAL 32 HG21 VAL 32 30.737 4.769 -4.616
190 HG22 VAL 32 HG22 VAL 32 29.397 5.891 -4.381
191 HG23 VAL 32 HG23 VAL 32 29.271 4.232 -3.798
192 H VAL 33 HN VAL 33 32.122 7.719 -1.456
193 HA VAL 33 HA VAL 33 32.271 9.556 -3.593
194 HB VAL 33 HB VAL 33 31.550 10.449 -1.536
195 HG11 VAL 33 HG11 VAL 33 33.911 10.018 0.113
196 HG12 VAL 33 HG12 VAL 33 33.196 8.503 -0.416
197 HG13 VAL 33 HG13 VAL 33 32.221 9.667 0.471
198 HG21 VAL 33 HG21 VAL 33 34.368 11.377 -1.283
199 HG22 VAL 33 HG22 VAL 33 32.879 12.322 -1.381
200 HG23 VAL 33 HG23 VAL 33 33.582 11.628 -2.843
201 H DAL 34 HN DAL 34 34.855 8.982 -1.198
202 HA DAL 34 HA DAL 34 37.144 8.708 -1.524
203 HB1 DAL 34 HB2 DAL 34 37.833 10.591 -3.326
204 HB2 DAL 34 HB3 DAL 34 36.263 11.182 -2.784
205 H LEU 35 HN LEU 35 35.525 7.011 -3.221
206 HA LEU 35 HA LEU 35 37.452 6.128 -5.074
207 HB2 LEU 35 HB2 LEU 35 35.615 4.721 -4.104
208 HB3 LEU 35 HB1 LEU 35 34.472 5.594 -5.125
209 HG LEU 35 HG LEU 35 35.730 4.886 -7.135
210 HD11 LEU 35 HD11 LEU 35 37.830 4.096 -6.952
211 HD12 LEU 35 HD12 LEU 35 37.271 2.773 -5.928
212 HD13 LEU 35 HD13 LEU 35 37.725 4.318 -5.203
213 HD21 LEU 35 HD21 LEU 35 35.333 2.319 -6.737
214 HD22 LEU 35 HD22 LEU 35 33.955 3.418 -6.695
215 HD23 LEU 35 HD23 LEU 35 34.673 2.846 -5.189
216 H LYS 36 HN LYS 36 34.561 8.161 -5.416
217 HA LYS 36 HA LYS 36 34.890 8.450 -8.274
218 HB2 LYS 36 HB2 LYS 36 33.081 9.854 -6.316
219 HB3 LYS 36 HB1 LYS 36 33.040 10.086 -8.065
220 HG2 LYS 36 HG2 LYS 36 32.664 7.620 -8.328
221 HG3 LYS 36 HG1 LYS 36 32.557 7.493 -6.570
222 HD2 LYS 36 HD2 LYS 36 30.671 9.076 -6.567
223 HD3 LYS 36 HD1 LYS 36 30.781 9.199 -8.321
224 HE2 LYS 36 HE2 LYS 36 30.319 6.782 -8.525
225 HE3 LYS 36 HE1 LYS 36 30.207 6.657 -6.770
226 HZ1 LYS 36 HZ1 LYS 36 28.263 7.576 -8.650
227 HZ2 LYS 36 HZ2 LYS 36 28.528 8.710 -7.413
228 HZ3 LYS 36 HZ3 LYS 36 28.064 7.122 -7.027
229 H HIS 37 HN HIS 37 35.416 10.441 -5.387
230 HA HIS 37 HA HIS 37 37.669 11.770 -6.122
231 HB2 HIS 37 HB2 HIS 37 36.491 14.005 -6.923
232 HB3 HIS 37 HB1 HIS 37 36.941 12.749 -8.081
233 HD2 HIS 37 HD2 HIS 37 33.810 11.857 -5.991
234 HE1 HIS 37 HE1 HIS 37 32.429 13.244 -9.737
235 HE2 HIS 37 HE2 HIS 37 31.744 12.108 -7.571
236 H CYS 38 HN CYS 38 38.136 12.185 -4.036
237 HA CYS 38 HA CYS 38 36.206 13.061 -2.128
238 HB2 CYS 38 HB2 CYS 38 39.211 12.815 -2.110
239 HB3 CYS 38 HB1 CYS 38 38.331 13.503 -0.745
Start of MODEL 20
1 H1 ABA 1 HT1 ABU 1 10.305 -11.785 -10.873
2 H2 ABA 1 HT2 ABU 1 11.489 -12.446 -9.852
3 H3 ABA 1 HT3 ABU 1 10.569 -11.114 -9.339
4 HA ABA 1 HA ABU 1 9.132 -13.522 -10.092
5 HB2 ABA 1 HB2 ABU 1 10.382 -14.784 -8.780
6 HG1 ABA 1 HG1 ABU 1 8.870 -15.041 -7.145
7 HG3 ABA 1 HG3 ABU 1 10.021 -14.123 -6.181
8 HG2 ABA 1 HG2 ABU 1 8.653 -13.314 -6.927
9 H DBU 2 HN DHB 2 9.092 -10.504 -9.778
10 HB DBU 2 HB DHB 2 5.826 -8.537 -9.289
11 HG1 DBU 2 HG1 DHB 2 6.968 -8.445 -11.636
12 HG2 DBU 2 HG2 DHB 2 5.544 -9.481 -11.547
13 HG3 DBU 2 HG3 DHB 2 7.159 -10.195 -11.475
14 HA PRO 3 HA PRO 3 6.041 -8.639 -5.043
15 HB2 PRO 3 HB2 PRO 3 4.329 -11.069 -4.849
16 HB3 PRO 3 HB1 PRO 3 3.951 -9.394 -4.438
17 HG2 PRO 3 HG2 PRO 3 2.957 -10.530 -6.593
18 HG3 PRO 3 HG1 PRO 3 3.476 -8.834 -6.608
19 HD2 PRO 3 HD2 PRO 3 4.838 -11.240 -7.708
20 HD3 PRO 3 HD1 PRO 3 4.751 -9.592 -8.354
21 H VAL 4 HN VAL 4 6.333 -12.151 -5.641
22 HA VAL 4 HA VAL 4 7.389 -12.800 -3.097
23 HB VAL 4 HB VAL 4 7.566 -14.215 -5.764
24 HG11 VAL 4 HG11 VAL 4 8.416 -15.095 -2.988
25 HG12 VAL 4 HG12 VAL 4 9.442 -14.955 -4.415
26 HG13 VAL 4 HG13 VAL 4 8.198 -16.204 -4.343
27 HG21 VAL 4 HG21 VAL 4 5.472 -14.833 -5.272
28 HG22 VAL 4 HG22 VAL 4 5.532 -13.922 -3.762
29 HG23 VAL 4 HG23 VAL 4 6.064 -15.604 -3.800
30 H CYS 5 HN CYS 5 8.937 -12.041 -6.225
31 HA CYS 5 HA CYS 5 11.596 -12.449 -5.280
32 HB2 CYS 5 HB2 CYS 5 10.295 -11.328 -7.694
33 HB3 CYS 5 HB1 CYS 5 11.955 -10.814 -7.378
34 H ALA 6 HN ALA 6 9.511 -9.614 -5.600
35 HA ALA 6 HA ALA 6 11.438 -7.675 -4.899
36 HB1 ALA 6 HB1 ALA 6 8.951 -7.492 -5.840
37 HB2 ALA 6 HB2 ALA 6 9.702 -6.171 -4.945
38 HB3 ALA 6 HB3 ALA 6 8.587 -7.268 -4.129
39 H VAL 7 HN VAL 7 9.156 -9.580 -2.951
40 HA VAL 7 HA VAL 7 9.640 -8.302 -0.487
41 HB VAL 7 HB VAL 7 8.706 -11.089 -1.189
42 HG11 VAL 7 HG11 VAL 7 7.938 -10.428 1.436
43 HG12 VAL 7 HG12 VAL 7 9.655 -10.040 1.332
44 HG13 VAL 7 HG13 VAL 7 9.095 -11.666 0.947
45 HG21 VAL 7 HG21 VAL 7 6.832 -9.441 0.227
46 HG22 VAL 7 HG22 VAL 7 6.709 -10.072 -1.415
47 HG23 VAL 7 HG23 VAL 7 7.482 -8.514 -1.126
48 H ALA 8 HN ALA 8 11.088 -11.210 -1.951
49 HA ALA 8 HA ALA 8 12.864 -11.748 0.199
50 HB1 ALA 8 HB1 ALA 8 13.384 -13.563 -1.023
51 HB2 ALA 8 HB2 ALA 8 13.842 -12.587 -2.418
52 HB3 ALA 8 HB3 ALA 8 12.152 -13.019 -2.161
53 H ALA 9 HN ALA 9 13.186 -9.897 -2.800
54 HA ALA 9 HA ALA 9 15.953 -9.353 -2.585
55 HB1 ALA 9 HB1 ALA 9 14.192 -8.958 -4.542
56 HB2 ALA 9 HB2 ALA 9 15.666 -7.998 -4.419
57 HB3 ALA 9 HB3 ALA 9 14.136 -7.344 -3.832
58 H DBU 10 HN DHB 10 13.084 -7.748 -1.290
59 HB DBU 10 HB DHB 10 13.319 -4.370 0.711
60 HG1 DBU 10 HG1 DHB 10 11.494 -4.665 -1.247
61 HG2 DBU 10 HG2 DHB 10 12.906 -5.037 -2.234
62 HG3 DBU 10 HG3 DHB 10 12.758 -3.456 -1.468
63 H ALA 11 HN ALA 11 13.591 -8.487 1.175
64 HA ALA 11 HA ALA 11 14.598 -7.827 3.718
65 HB1 ALA 11 HB1 ALA 11 13.970 -10.346 2.262
66 HB2 ALA 11 HB2 ALA 11 13.383 -9.770 3.821
67 HB3 ALA 11 HB3 ALA 11 14.996 -10.471 3.690
68 H ALA 12 HN ALA 12 16.162 -9.208 0.858
69 HA ALA 12 HA ALA 12 18.725 -9.388 2.240
70 HB1 ALA 12 HB1 ALA 12 19.520 -10.231 0.006
71 HB2 ALA 12 HB2 ALA 12 17.866 -10.055 -0.583
72 HB3 ALA 12 HB3 ALA 12 18.222 -11.187 0.722
73 H ALA 13 HN ALA 13 16.974 -7.139 0.354
74 HA ALA 13 HA ALA 13 19.083 -5.791 -0.962
75 HB1 ALA 13 HB1 ALA 13 17.453 -3.844 -0.943
76 HB2 ALA 13 HB2 ALA 13 16.358 -4.881 -0.028
77 HB3 ALA 13 HB3 ALA 13 16.846 -5.337 -1.661
78 H ALA 14 HN ALA 14 17.506 -5.207 2.177
79 HA ALA 14 HA ALA 14 19.086 -2.965 2.886
80 HB2 ALA 14 HB2 ALA 14 16.879 -4.164 3.947
81 HB3 ALA 14 HB3 ALA 14 18.121 -4.662 5.096
82 H DHA 15 HN DHA 15 19.495 -6.451 3.369
83 HB1 DHA 15 HB1 DHA 15 20.694 -8.587 4.577
84 HB2 DHA 15 HB2 DHA 15 22.505 -8.315 4.871
85 H ALA 16 HN ALA 16 22.521 -5.605 2.110
86 HA ALA 16 HA ALA 16 24.826 -4.522 3.553
87 HB1 ALA 16 HB1 ALA 16 25.687 -5.397 1.633
88 HB2 ALA 16 HB2 ALA 16 25.276 -3.802 1.003
89 HB3 ALA 16 HB3 ALA 16 24.190 -5.165 0.728
90 H ALA 17 HN ALA 17 22.160 -3.395 1.482
91 HA ALA 17 HA ALA 17 22.855 -0.663 1.478
92 HB1 ALA 17 HB1 ALA 17 21.234 -1.616 -0.091
93 HB2 ALA 17 HB2 ALA 17 20.515 -0.280 0.806
94 HB3 ALA 17 HB3 ALA 17 20.123 -1.945 1.239
95 H CYS 18 HN CYS 18 20.600 -2.467 3.558
96 HA CYS 18 HA CYS 18 19.738 -0.320 5.137
97 HB2 CYS 18 HB2 CYS 18 19.942 -3.287 5.607
98 HB3 CYS 18 HB1 CYS 18 19.404 -2.205 6.890
99 H GLY 19 HN GLY 19 22.398 -2.638 5.684
100 HA2 GLY 19 HA2 GLY 19 23.291 -1.424 8.106
101 HA3 GLY 19 HA1 GLY 19 24.200 -2.574 7.128
102 H TRP 20 HN TRP 20 24.254 -1.125 4.711
103 HA TRP 20 HA TRP 20 26.511 0.517 5.108
104 HB2 TRP 20 HB2 TRP 20 24.647 0.128 2.774
105 HB3 TRP 20 HB1 TRP 20 26.012 1.241 2.704
106 HD1 TRP 20 HD1 TRP 20 26.316 -1.975 4.702
107 HE1 TRP 20 HE1 TRP 20 28.019 -3.528 3.519
108 HE3 TRP 20 HE3 TRP 20 27.052 0.594 0.348
109 HZ2 TRP 20 HZ2 TRP 20 29.468 -3.675 1.119
110 HZ3 TRP 20 HZ3 TRP 20 28.608 -0.292 -1.367
111 HH2 TRP 20 HH2 TRP 20 29.809 -2.428 -0.967
112 H VAL 21 HN VAL 21 23.078 1.266 4.735
113 HA VAL 21 HA VAL 21 23.288 4.048 4.432
114 HB VAL 21 HB VAL 21 21.134 2.314 5.650
115 HG11 VAL 21 HG11 VAL 21 19.745 4.458 5.129
116 HG12 VAL 21 HG12 VAL 21 21.299 5.285 5.223
117 HG13 VAL 21 HG13 VAL 21 20.687 4.399 6.618
118 HG21 VAL 21 HG21 VAL 21 21.956 2.643 3.027
119 HG22 VAL 21 HG22 VAL 21 20.633 3.802 3.167
120 HG23 VAL 21 HG23 VAL 21 20.355 2.098 3.528
121 H GLY 22 HN GLY 22 24.015 5.549 5.776
122 HA2 GLY 22 HA2 GLY 22 24.429 6.720 7.723
123 HA3 GLY 22 HA1 GLY 22 23.407 5.568 8.577
124 H GLY 23 HN GLY 23 25.291 3.483 7.162
125 HA2 GLY 23 HA2 GLY 23 27.430 3.643 9.210
126 HA3 GLY 23 HA1 GLY 23 26.682 2.129 8.708
127 H GLY 24 HN GLY 24 26.787 1.795 6.224
128 HA2 GLY 24 HA2 GLY 24 29.509 1.576 5.487
129 HA3 GLY 24 HA1 GLY 24 28.134 1.299 4.423
130 H ILE 25 HN ILE 25 26.990 3.922 4.665
131 HA ILE 25 HA ILE 25 28.410 5.264 2.617
132 HB ILE 25 HB ILE 25 25.889 5.401 3.433
133 HG12 ILE 25 HG12 ILE 25 26.915 6.431 1.389
134 HG13 ILE 25 HG11 ILE 25 25.665 7.440 2.122
135 HG21 ILE 25 HG21 ILE 25 26.461 6.389 5.627
136 HG22 ILE 25 HG22 ILE 25 25.478 7.496 4.668
137 HG23 ILE 25 HG23 ILE 25 27.216 7.758 4.809
138 HD11 ILE 25 HD11 ILE 25 27.633 8.528 3.432
139 HD12 ILE 25 HD12 ILE 25 27.415 8.964 1.738
140 HD13 ILE 25 HD13 ILE 25 28.654 7.795 2.196
141 H PHE 26 HN PHE 26 28.146 5.837 6.105
142 HA PHE 26 HA PHE 26 29.683 8.206 6.198
143 HB2 PHE 26 HB2 PHE 26 28.265 7.446 8.069
144 HB3 PHE 26 HB1 PHE 26 29.347 6.078 8.332
145 HD1 PHE 26 HD1 PHE 26 29.302 9.815 8.161
146 HD2 PHE 26 HD2 PHE 26 31.249 6.308 9.696
147 HE1 PHE 26 HE1 PHE 26 30.773 11.243 9.557
148 HE2 PHE 26 HE2 PHE 26 32.720 7.736 11.092
149 HZ PHE 26 HZ PHE 26 32.481 10.203 11.022
150 H THR 27 HN THR 27 30.597 4.788 6.578
151 HA THR 27 HA THR 27 33.323 5.217 7.148
152 HB THR 27 HB THR 27 32.166 2.854 5.651
153 HG1 THR 27 HG1 THR 27 30.943 2.902 7.411
154 HG21 THR 27 HG21 THR 27 34.324 2.209 5.762
155 HG22 THR 27 HG22 THR 27 34.062 2.016 7.496
156 HG23 THR 27 HG23 THR 27 34.737 3.520 6.867
157 H GLY 28 HN GLY 28 31.648 4.639 4.059
158 HA2 GLY 28 HA2 GLY 28 33.972 4.744 2.436
159 HA3 GLY 28 HA1 GLY 28 32.316 4.985 1.881
160 H VAL 29 HN VAL 29 31.700 7.208 3.577
161 HA VAL 29 HA VAL 29 32.666 9.344 1.988
162 HB VAL 29 HB VAL 29 31.122 9.212 4.573
163 HG11 VAL 29 HG11 VAL 29 30.923 11.585 4.572
164 HG12 VAL 29 HG12 VAL 29 31.710 11.723 2.999
165 HG13 VAL 29 HG13 VAL 29 32.646 11.249 4.417
166 HG21 VAL 29 HG21 VAL 29 29.270 9.634 3.239
167 HG22 VAL 29 HG22 VAL 29 30.262 8.712 2.108
168 HG23 VAL 29 HG23 VAL 29 30.218 10.472 2.010
169 H DBU 30 HN DHB 30 33.466 8.232 5.275
170 HB DBU 30 HB DHB 30 36.252 10.216 7.298
171 HG1 DBU 30 HG1 DHB 30 33.689 11.462 6.680
172 HG2 DBU 30 HG2 DHB 30 34.465 11.392 8.262
173 HG3 DBU 30 HG3 DHB 30 33.390 10.089 7.749
174 H VAL 31 HN VAL 31 35.382 6.902 4.752
175 HA VAL 31 HA VAL 31 38.189 6.524 4.899
176 HB VAL 31 HB VAL 31 35.996 5.061 3.427
177 HG11 VAL 31 HG11 VAL 31 38.976 4.622 3.512
178 HG12 VAL 31 HG12 VAL 31 37.899 4.594 2.116
179 HG13 VAL 31 HG13 VAL 31 37.868 3.269 3.280
180 HG21 VAL 31 HG21 VAL 31 36.205 3.458 5.178
181 HG22 VAL 31 HG22 VAL 31 36.202 5.026 5.984
182 HG23 VAL 31 HG23 VAL 31 37.720 4.162 5.743
183 H VAL 32 HN VAL 32 35.989 7.266 2.182
184 HA VAL 32 HA VAL 32 37.993 7.344 0.188
185 HB VAL 32 HB VAL 32 35.246 8.593 0.392
186 HG11 VAL 32 HG11 VAL 32 37.295 8.675 -1.816
187 HG12 VAL 32 HG12 VAL 32 36.374 10.009 -1.121
188 HG13 VAL 32 HG13 VAL 32 35.569 8.824 -2.150
189 HG21 VAL 32 HG21 VAL 32 36.397 6.202 -1.076
190 HG22 VAL 32 HG22 VAL 32 34.772 6.832 -1.352
191 HG23 VAL 32 HG23 VAL 32 35.210 6.178 0.228
192 H VAL 33 HN VAL 33 36.432 9.967 2.043
193 HA VAL 33 HA VAL 33 37.672 12.164 0.972
194 HB VAL 33 HB VAL 33 36.095 12.603 2.650
195 HG11 VAL 33 HG11 VAL 33 35.821 11.406 4.578
196 HG12 VAL 33 HG12 VAL 33 37.557 11.288 4.872
197 HG13 VAL 33 HG13 VAL 33 36.783 10.214 3.709
198 HG21 VAL 33 HG21 VAL 33 38.743 12.979 4.052
199 HG22 VAL 33 HG22 VAL 33 37.276 13.926 4.293
200 HG23 VAL 33 HG23 VAL 33 38.157 14.033 2.768
201 H DAL 34 HN DAL 34 38.869 10.620 3.951
202 HA DAL 34 HA DAL 34 41.032 10.067 4.547
203 HB1 DAL 34 HB2 DAL 34 41.719 12.832 3.619
204 HB2 DAL 34 HB3 DAL 34 40.692 12.566 5.016
205 H LEU 35 HN LEU 35 40.681 8.762 2.393
206 HA LEU 35 HA LEU 35 43.192 8.469 1.183
207 HB2 LEU 35 HB2 LEU 35 40.443 7.444 0.640
208 HB3 LEU 35 HB1 LEU 35 41.689 7.194 -0.578
209 HG LEU 35 HG LEU 35 42.127 6.505 2.334
210 HD11 LEU 35 HD11 LEU 35 40.696 4.788 2.085
211 HD12 LEU 35 HD12 LEU 35 41.772 4.147 0.842
212 HD13 LEU 35 HD13 LEU 35 40.429 5.197 0.391
213 HD21 LEU 35 HD21 LEU 35 43.410 5.156 -0.017
214 HD22 LEU 35 HD22 LEU 35 44.062 5.447 1.596
215 HD23 LEU 35 HD23 LEU 35 43.968 6.768 0.431
216 H LYS 36 HN LYS 36 40.359 10.309 0.232
217 HA LYS 36 HA LYS 36 41.104 10.883 -2.425
218 HB2 LYS 36 HB2 LYS 36 39.316 12.264 -0.436
219 HB3 LYS 36 HB1 LYS 36 39.605 12.944 -2.037
220 HG2 LYS 36 HG2 LYS 36 38.664 10.100 -1.598
221 HG3 LYS 36 HG1 LYS 36 37.561 11.449 -1.868
222 HD2 LYS 36 HD2 LYS 36 38.702 11.934 -4.012
223 HD3 LYS 36 HD1 LYS 36 39.768 10.555 -3.743
224 HE2 LYS 36 HE2 LYS 36 37.873 9.026 -3.777
225 HE3 LYS 36 HE1 LYS 36 36.746 10.377 -3.907
226 HZ1 LYS 36 HZ1 LYS 36 38.894 10.011 -5.895
227 HZ2 LYS 36 HZ2 LYS 36 37.420 10.843 -6.053
228 HZ3 LYS 36 HZ3 LYS 36 37.443 9.144 -6.030
229 H HIS 37 HN HIS 37 41.839 12.485 0.646
230 HA HIS 37 HA HIS 37 43.856 14.094 -0.804
231 HB2 HIS 37 HB2 HIS 37 42.054 15.041 1.432
232 HB3 HIS 37 HB1 HIS 37 43.358 15.979 0.701
233 HD2 HIS 37 HD2 HIS 37 39.694 14.878 -0.117
234 HE1 HIS 37 HE1 HIS 37 41.074 17.238 -3.335
235 HE2 HIS 37 HE2 HIS 37 39.039 16.100 -2.330
236 H CYS 38 HN CYS 38 42.803 13.164 2.487
237 HA CYS 38 HA CYS 38 45.565 13.261 3.412
238 HB2 CYS 38 HB2 CYS 38 44.710 13.411 5.531
239 HB3 CYS 38 HB1 CYS 38 43.330 14.042 4.633