NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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|
542732 |
2lr5   |
18347 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1HT GLY 1 -8.092 -1.937 -3.632
2 H2 GLY 1 2HT GLY 1 -7.932 -0.277 -3.327
3 H3 GLY 1 3HT GLY 1 -9.277 -1.122 -2.741
4 HA2 GLY 1 1HA GLY 1 -7.939 -2.380 -1.236
5 HA3 GLY 1 2HA GLY 1 -6.482 -1.664 -1.915
6 H PHE 2 H PHE 2 -6.150 -1.142 0.426
7 HA PHE 2 HA PHE 2 -7.771 0.738 1.752
8 HB2 PHE 2 2HB PHE 2 -6.053 -0.685 2.860
9 HB3 PHE 2 1HB PHE 2 -4.799 0.289 2.102
10 HD1 PHE 2 1HD PHE 2 -7.795 0.644 4.285
11 HD2 PHE 2 2HD PHE 2 -3.923 2.079 3.256
12 HE1 PHE 2 1HE PHE 2 -7.878 2.211 6.180
13 HE2 PHE 2 2HE PHE 2 -3.997 3.649 5.149
14 HZ PHE 2 HZ PHE 2 -5.976 3.716 6.614
15 H GLY 3 H GLY 3 -4.709 1.192 -0.020
16 HA2 GLY 3 2HA GLY 3 -4.973 4.055 0.058
17 HA3 GLY 3 1HA GLY 3 -3.731 3.145 -0.787
18 H CYS 4 H CYS 4 -4.156 2.368 -2.900
19 HA CYS 4 HA CYS 4 -5.669 4.135 -4.498
20 HB2 CYS 4 2HB CYS 4 -5.225 2.022 -6.153
21 HB3 CYS 4 1HB CYS 4 -4.042 3.283 -5.820
22 HA PRO 5 HA PRO 5 -6.543 4.042 -6.517
23 HB2 PRO 5 2HB PRO 5 -9.166 4.763 -7.371
24 HB3 PRO 5 1HB PRO 5 -8.004 3.734 -8.209
25 HG2 PRO 5 2HG PRO 5 -10.416 2.876 -7.151
26 HG3 PRO 5 1HG PRO 5 -9.037 1.827 -7.515
27 HD2 PRO 5 2HD PRO 5 -9.903 2.978 -4.895
28 HD3 PRO 5 1HD PRO 5 -9.241 1.368 -5.257
29 H PHE 6 H PHE 6 -8.230 4.507 -3.738
30 HA PHE 6 HA PHE 6 -9.123 7.185 -3.980
31 HB2 PHE 6 2HB PHE 6 -8.363 5.667 -1.475
32 HB3 PHE 6 1HB PHE 6 -9.332 7.137 -1.546
33 HD1 PHE 6 1HD PHE 6 -9.282 3.530 -2.139
34 HD2 PHE 6 2HD PHE 6 -11.625 7.080 -2.302
35 HE1 PHE 6 1HE PHE 6 -11.319 2.170 -2.375
36 HE2 PHE 6 2HE PHE 6 -13.666 5.726 -2.538
37 HZ PHE 6 HZ PHE 6 -13.514 3.267 -2.575
38 H ASN 7 H ASN 7 -6.370 5.961 -2.046
39 HA ASN 7 HA ASN 7 -4.875 8.346 -2.866
40 HB2 ASN 7 2HB ASN 7 -6.020 8.517 -0.529
41 HB3 ASN 7 1HB ASN 7 -4.726 7.438 -0.012
42 HD21 ASN 7 1HD2 ASN 7 -5.231 10.164 0.787
43 HD22 ASN 7 2HD2 ASN 7 -3.822 11.071 0.370
44 H GLU 8 H GLU 8 -3.770 6.896 -4.243
45 HA GLU 8 HA GLU 8 -2.401 4.602 -3.357
46 HB2 GLU 8 2HB GLU 8 -2.912 5.577 -5.790
47 HB3 GLU 8 1HB GLU 8 -1.291 6.224 -5.601
48 HG2 GLU 8 2HG GLU 8 -1.957 3.311 -5.264
49 HG3 GLU 8 1HG GLU 8 -1.461 4.025 -6.796
50 H ASN 9 H ASN 9 -1.412 7.968 -3.739
51 HA ASN 9 HA ASN 9 1.272 7.754 -3.121
52 HB2 ASN 9 2HB ASN 9 -0.646 9.990 -2.417
53 HB3 ASN 9 1HB ASN 9 1.105 10.113 -2.324
54 HD21 ASN 9 1HD2 ASN 9 1.494 11.595 -3.855
55 HD22 ASN 9 2HD2 ASN 9 1.088 11.410 -5.524
56 H GLU 10 H GLU 10 -1.501 7.966 -0.936
57 HA GLU 10 HA GLU 10 0.039 8.147 1.441
58 HB2 GLU 10 2HB GLU 10 -2.377 8.760 1.309
59 HB3 GLU 10 1HB GLU 10 -2.766 7.055 1.145
60 HG2 GLU 10 2HG GLU 10 -1.215 8.037 3.507
61 HG3 GLU 10 1HG GLU 10 -2.968 8.190 3.456
62 H CYS 11 H CYS 11 -1.744 5.402 0.003
63 HA CYS 11 HA CYS 11 -0.843 3.447 1.774
64 HB2 CYS 11 2HB CYS 11 -2.597 2.872 0.291
65 HB3 CYS 11 1HB CYS 11 -1.659 3.322 -1.123
66 H HIS 12 H HIS 12 0.560 4.584 -1.236
67 HA HIS 12 HA HIS 12 2.728 2.827 -1.387
68 HB2 HIS 12 2HB HIS 12 1.737 4.781 -2.977
69 HB3 HIS 12 1HB HIS 12 3.158 5.596 -2.330
70 HD1 HIS 12 1HD HIS 12 2.086 3.015 -4.730
71 HD2 HIS 12 2HD HIS 12 5.624 4.360 -3.003
72 HE1 HIS 12 1HE HIS 12 3.948 2.026 -6.118
73 HE2 HIS 12 2HE HIS 12 6.054 3.039 -5.186
74 H ALA 13 H ALA 13 2.634 6.177 -0.130
75 HA ALA 13 HA ALA 13 5.303 6.175 0.785
76 HB1 ALA 13 1HB ALA 13 4.028 8.234 0.412
77 HB2 ALA 13 2HB ALA 13 4.697 8.173 2.042
78 HB3 ALA 13 3HB ALA 13 2.986 7.836 1.779
79 H HIS 14 H HIS 14 2.253 5.312 2.319
80 HA HIS 14 HA HIS 14 3.143 5.023 4.956
81 HB2 HIS 14 2HB HIS 14 0.756 4.950 4.096
82 HB3 HIS 14 1HB HIS 14 1.068 3.296 3.592
83 HD1 HIS 14 1HD HIS 14 2.012 4.947 6.879
84 HD2 HIS 14 2HD HIS 14 -0.341 1.864 5.394
85 HE1 HIS 14 1HE HIS 14 1.138 3.737 8.901
86 HE2 HIS 14 2HE HIS 14 -0.488 2.051 7.969
87 H CYS 15 H CYS 15 2.801 2.567 2.410
88 HA CYS 15 HA CYS 15 3.967 0.447 3.814
89 HB2 CYS 15 2HB CYS 15 2.729 -0.065 1.853
90 HB3 CYS 15 1HB CYS 15 3.685 1.040 0.871
91 H LEU 16 H LEU 16 5.340 2.913 1.763
92 HA LEU 16 HA LEU 16 7.980 1.955 1.646
93 HB2 LEU 16 2HB LEU 16 6.566 4.470 1.077
94 HB3 LEU 16 1HB LEU 16 8.259 4.660 1.483
95 HG LEU 16 HG LEU 16 8.941 3.304 -0.378
96 HD11 LEU 16 1HD1 LEU 16 7.174 1.615 -0.238
97 HD12 LEU 16 2HD1 LEU 16 7.355 2.232 -1.881
98 HD13 LEU 16 3HD1 LEU 16 6.013 2.780 -0.877
99 HD21 LEU 16 3HD2 LEU 16 6.772 5.252 -1.147
100 HD22 LEU 16 1HD2 LEU 16 7.917 4.542 -2.285
101 HD23 LEU 16 2HD2 LEU 16 8.497 5.582 -0.981
102 H SER 17 H SER 17 6.228 3.638 4.107
103 HA SER 17 HA SER 17 8.561 4.539 5.529
104 HB2 SER 17 2HB SER 17 5.673 4.435 6.422
105 HB3 SER 17 1HB SER 17 6.978 5.299 7.235
106 HG SER 17 HG SER 17 6.151 5.790 4.559
107 H ILE 18 H ILE 18 6.809 1.557 5.403
108 HA ILE 18 HA ILE 18 7.749 0.874 8.091
109 HB ILE 18 HB ILE 18 6.518 -1.325 7.683
110 HG12 ILE 18 2HG1 ILE 18 5.180 0.317 5.526
111 HG13 ILE 18 1HG1 ILE 18 6.277 -1.027 5.224
112 HG21 ILE 18 1HG2 ILE 18 4.951 1.248 7.833
113 HG22 ILE 18 2HG2 ILE 18 5.737 0.431 9.184
114 HG23 ILE 18 3HG2 ILE 18 4.384 -0.336 8.354
115 HD11 ILE 18 3HD1 ILE 18 4.724 -2.534 6.368
116 HD12 ILE 18 1HD1 ILE 18 3.975 -1.726 4.990
117 HD13 ILE 18 2HD1 ILE 18 3.622 -1.183 6.631
118 H GLY 19 H GLY 19 9.588 1.249 5.923
119 HA2 GLY 19 2HA GLY 19 11.708 0.220 5.743
120 HA3 GLY 19 1HA GLY 19 10.975 -1.316 6.179
121 H ARG 20 H ARG 20 8.826 -1.149 4.304
122 HA ARG 20 HA ARG 20 10.036 -2.406 2.098
123 HB2 ARG 20 2HB ARG 20 7.268 -1.297 2.520
124 HB3 ARG 20 1HB ARG 20 7.737 -2.126 1.042
125 HG2 ARG 20 2HG ARG 20 6.759 -3.811 2.269
126 HG3 ARG 20 1HG ARG 20 8.472 -4.032 2.626
127 HD2 ARG 20 2HD ARG 20 8.240 -2.969 4.752
128 HD3 ARG 20 1HD ARG 20 6.595 -2.456 4.377
129 HE ARG 20 HE ARG 20 6.357 -5.109 4.181
130 HH11 ARG 20 1HH1 ARG 20 7.860 -3.121 6.667
131 HH12 ARG 20 2HH1 ARG 20 7.553 -4.271 7.929
132 HH21 ARG 20 1HH2 ARG 20 5.956 -6.604 5.822
133 HH22 ARG 20 2HH2 ARG 20 6.468 -6.257 7.452
134 H LYS 21 H LYS 21 10.234 -1.729 -0.090
135 HA LYS 21 HA LYS 21 10.552 1.175 -0.324
136 HB2 LYS 21 2HB LYS 21 11.943 -1.111 -1.685
137 HB3 LYS 21 1HB LYS 21 12.016 0.525 -2.330
138 HG2 LYS 21 2HG LYS 21 12.876 -0.281 0.442
139 HG3 LYS 21 1HG LYS 21 13.958 -0.025 -0.929
140 HD2 LYS 21 2HD LYS 21 13.854 2.213 -0.742
141 HD3 LYS 21 1HD LYS 21 12.117 2.198 -0.429
142 HE2 LYS 21 2HE LYS 21 14.164 1.404 1.630
143 HE3 LYS 21 1HE LYS 21 13.587 3.059 1.443
144 HZ1 LYS 21 3HZ LYS 21 11.267 1.916 1.657
145 HZ2 LYS 21 1HZ LYS 21 12.178 2.255 3.042
146 HZ3 LYS 21 2HZ LYS 21 12.150 0.685 2.416
147 H PHE 22 H PHE 22 8.646 -1.382 -1.398
148 HA PHE 22 HA PHE 22 7.277 0.385 -3.256
149 HB2 PHE 22 2HB PHE 22 7.864 -2.432 -4.138
150 HB3 PHE 22 1HB PHE 22 7.191 -1.121 -5.082
151 HD1 PHE 22 1HD PHE 22 8.639 0.743 -5.829
152 HD2 PHE 22 2HD PHE 22 10.217 -2.754 -3.985
153 HE1 PHE 22 1HE PHE 22 10.869 1.288 -6.712
154 HE2 PHE 22 2HE PHE 22 12.451 -2.213 -4.862
155 HZ PHE 22 HZ PHE 22 12.780 -0.189 -6.228
156 H GLY 23 H GLY 23 5.164 -0.465 -3.833
157 HA2 GLY 23 2HA GLY 23 3.854 -2.662 -2.928
158 HA3 GLY 23 1HA GLY 23 3.880 -1.607 -1.521
159 H PHE 24 H PHE 24 1.594 -2.502 -2.904
160 HA PHE 24 HA PHE 24 0.458 0.086 -3.664
161 HB2 PHE 24 2HB PHE 24 -0.918 -1.098 -5.418
162 HB3 PHE 24 1HB PHE 24 0.795 -0.965 -5.796
163 HD1 PHE 24 1HD PHE 24 2.266 -2.992 -5.454
164 HD2 PHE 24 2HD PHE 24 -1.983 -3.178 -5.335
165 HE1 PHE 24 1HE PHE 24 2.366 -5.419 -5.841
166 HE2 PHE 24 2HE PHE 24 -1.891 -5.606 -5.718
167 HZ PHE 24 HZ PHE 24 0.285 -6.731 -5.972
168 H CYS 25 H CYS 25 -2.186 -0.745 -4.002
169 HA CYS 25 HA CYS 25 -2.800 -1.417 -1.251
170 HB2 CYS 25 2HB CYS 25 -5.205 -1.089 -2.102
171 HB3 CYS 25 1HB CYS 25 -4.149 0.320 -2.070
172 H ALA 26 H ALA 26 -3.877 -3.204 -0.518
173 HA ALA 26 HA ALA 26 -3.856 -5.485 -2.357
174 HB1 ALA 26 1HB ALA 26 -3.721 -6.883 -0.388
175 HB2 ALA 26 2HB ALA 26 -3.916 -5.475 0.657
176 HB3 ALA 26 3HB ALA 26 -2.464 -5.644 -0.335
177 H GLY 27 H GLY 27 -5.672 -6.353 -3.021
178 HA2 GLY 27 2HA GLY 27 -7.848 -7.150 -2.957
179 HA3 GLY 27 1HA GLY 27 -8.032 -6.434 -1.363
180 HA PRO 28 HA PRO 28 -10.066 -3.769 -4.706
181 HB2 PRO 28 2HB PRO 28 -12.656 -4.519 -4.435
182 HB3 PRO 28 1HB PRO 28 -11.548 -5.303 -5.566
183 HG2 PRO 28 2HG PRO 28 -12.466 -6.209 -2.873
184 HG3 PRO 28 1HG PRO 28 -12.192 -7.159 -4.344
185 HD2 PRO 28 2HD PRO 28 -10.421 -7.027 -2.256
186 HD3 PRO 28 1HD PRO 28 -9.952 -7.374 -3.931
187 H LEU 29 H LEU 29 -11.479 -4.836 -1.626
188 HA LEU 29 HA LEU 29 -12.658 -2.294 -1.038
189 HB2 LEU 29 2HB LEU 29 -12.140 -4.639 0.797
190 HB3 LEU 29 1HB LEU 29 -13.221 -3.297 1.114
191 HG LEU 29 HG LEU 29 -13.593 -5.281 -1.131
192 HD11 LEU 29 1HD1 LEU 29 -13.813 -6.370 1.040
193 HD12 LEU 29 2HD1 LEU 29 -15.377 -6.228 0.237
194 HD13 LEU 29 3HD1 LEU 29 -14.958 -5.131 1.553
195 HD21 LEU 29 3HD2 LEU 29 -15.422 -3.163 -0.002
196 HD22 LEU 29 1HD2 LEU 29 -15.840 -4.323 -1.264
197 HD23 LEU 29 2HD2 LEU 29 -14.602 -3.102 -1.562
198 H ARG 30 H ARG 30 -12.140 -1.176 1.069
199 HA ARG 30 HA ARG 30 -9.355 -0.472 1.079
200 HB2 ARG 30 2HB ARG 30 -11.688 0.469 2.754
201 HB3 ARG 30 1HB ARG 30 -10.062 1.121 2.892
202 HG2 ARG 30 2HG ARG 30 -10.934 1.154 0.151
203 HG3 ARG 30 1HG ARG 30 -12.094 1.977 1.194
204 HD2 ARG 30 2HD ARG 30 -9.146 2.526 1.346
205 HD3 ARG 30 1HD ARG 30 -10.195 3.371 0.209
206 HE ARG 30 HE ARG 30 -11.491 3.821 2.471
207 HH11 ARG 30 1HH1 ARG 30 -8.051 3.973 1.826
208 HH12 ARG 30 2HH1 ARG 30 -7.759 5.227 2.991
209 HH21 ARG 30 1HH2 ARG 30 -11.106 5.492 4.003
210 HH22 ARG 30 2HH2 ARG 30 -9.497 6.091 4.225
211 H ALA 31 H ALA 31 -8.835 -2.799 1.691
212 HA ALA 31 HA ALA 31 -9.127 -3.342 4.541
213 HB1 ALA 31 1HB ALA 31 -8.252 -5.553 4.030
214 HB2 ALA 31 2HB ALA 31 -7.926 -5.058 2.369
215 HB3 ALA 31 3HB ALA 31 -9.588 -5.150 2.952
216 H THR 32 H THR 32 -6.340 -3.939 2.397
217 HA THR 32 HA THR 32 -4.661 -2.300 4.135
218 HB THR 32 HB THR 32 -3.408 -4.880 3.530
219 HG1 THR 32 1HG THR 32 -5.702 -4.737 5.214
220 HG21 THR 32 3HG2 THR 32 -3.808 -3.327 6.093
221 HG22 THR 32 1HG2 THR 32 -2.417 -3.196 5.016
222 HG23 THR 32 2HG2 THR 32 -2.726 -4.702 5.879
223 H CYS 33 H CYS 33 -2.202 -3.190 3.136
224 HA CYS 33 HA CYS 33 -2.382 -2.591 0.266
225 HB2 CYS 33 2HB CYS 33 -0.543 -1.375 2.323
226 HB3 CYS 33 1HB CYS 33 -0.189 -1.326 0.601
227 H THR 34 H THR 34 -0.893 -3.599 -1.042
228 HA THR 34 HA THR 34 0.458 -5.908 0.151
229 HB THR 34 HB THR 34 0.655 -5.901 -2.683
230 HG1 THR 34 1HG THR 34 -1.157 -5.018 -3.284
231 HG21 THR 34 3HG2 THR 34 -0.701 -7.940 -2.486
232 HG22 THR 34 1HG2 THR 34 -1.088 -7.515 -0.818
233 HG23 THR 34 2HG2 THR 34 0.575 -7.891 -1.271
234 H CYS 35 H CYS 35 2.431 -5.215 0.833
235 HA CYS 35 HA CYS 35 4.004 -3.396 -0.738
236 HB2 CYS 35 2HB CYS 35 4.590 -4.956 1.778
237 HB3 CYS 35 1HB CYS 35 5.745 -3.862 1.020
238 H GLY 36 H GLY 36 5.986 -3.849 -1.731
239 HA2 GLY 36 2HA GLY 36 6.023 -6.186 -3.300
240 HA3 GLY 36 1HA GLY 36 7.330 -5.027 -3.160
241 H LYS 37 H LYS 37 7.316 -5.602 -0.181
242 HA LYS 37 HA LYS 37 8.621 -8.230 -0.293
243 HB2 LYS 37 2HB LYS 37 9.692 -5.655 0.783
244 HB3 LYS 37 1HB LYS 37 10.161 -7.164 1.557
245 HG2 LYS 37 2HG LYS 37 10.508 -6.536 -1.369
246 HG3 LYS 37 1HG LYS 37 11.777 -6.441 -0.144
247 HD2 LYS 37 2HD LYS 37 11.948 -8.715 0.050
248 HD3 LYS 37 1HD LYS 37 10.262 -8.986 -0.385
249 HE2 LYS 37 2HE LYS 37 12.451 -8.162 -2.290
250 HE3 LYS 37 1HE LYS 37 11.817 -9.797 -2.110
251 HZ1 LYS 37 3HZ LYS 37 10.483 -9.155 -3.782
252 HZ2 LYS 37 1HZ LYS 37 10.666 -7.505 -3.461
253 HZ3 LYS 37 2HZ LYS 37 9.568 -8.424 -2.559
254 H GLN 38 H GLN 38 5.997 -7.860 0.452
255 HA GLN 38 HA GLN 38 4.483 -8.404 2.044
256 HB2 GLN 38 2HB GLN 38 6.945 -9.611 3.311
257 HB3 GLN 38 1HB GLN 38 5.329 -9.804 3.977
258 HG2 GLN 38 2HG GLN 38 4.607 -10.881 1.905
259 HG3 GLN 38 1HG GLN 38 6.232 -10.697 1.248
260 HE21 GLN 38 1HE2 GLN 38 4.625 -13.098 1.784
261 HE22 GLN 38 2HE2 GLN 38 5.593 -14.085 2.818
Start of MODEL 2
1 H1 GLY 1 1HT GLY 1 -10.322 1.024 -1.591
2 H2 GLY 1 2HT GLY 1 -9.178 2.230 -1.259
3 H3 GLY 1 3HT GLY 1 -10.735 2.336 -0.604
4 HA2 GLY 1 1HA GLY 1 -10.358 0.358 0.720
5 HA3 GLY 1 2HA GLY 1 -8.739 0.243 0.042
6 H PHE 2 H PHE 2 -7.658 0.484 1.982
7 HA PHE 2 HA PHE 2 -8.234 2.543 3.851
8 HB2 PHE 2 2HB PHE 2 -7.042 0.511 4.519
9 HB3 PHE 2 1HB PHE 2 -5.715 0.912 3.435
10 HD1 PHE 2 2HD PHE 2 -7.543 2.138 6.425
11 HD2 PHE 2 1HD PHE 2 -3.921 2.185 4.191
12 HE1 PHE 2 2HE PHE 2 -6.443 3.380 8.241
13 HE2 PHE 2 1HE PHE 2 -2.814 3.427 6.003
14 HZ PHE 2 HZ PHE 2 -4.076 4.026 8.031
15 H GLY 3 H GLY 3 -5.768 2.164 1.338
16 HA2 GLY 3 2HA GLY 3 -5.082 4.998 1.644
17 HA3 GLY 3 1HA GLY 3 -4.106 3.793 0.816
18 H CYS 4 H CYS 4 -4.729 3.099 -1.269
19 HA CYS 4 HA CYS 4 -5.536 5.121 -2.991
20 HB2 CYS 4 2HB CYS 4 -6.061 2.726 -4.335
21 HB3 CYS 4 1HB CYS 4 -4.556 3.639 -4.352
22 HA PRO 5 HA PRO 5 -6.289 5.327 -4.866
23 HB2 PRO 5 2HB PRO 5 -8.227 6.781 -6.208
24 HB3 PRO 5 1HB PRO 5 -7.712 5.145 -6.617
25 HG2 PRO 5 2HG PRO 5 -10.250 5.981 -5.613
26 HG3 PRO 5 1HG PRO 5 -9.714 4.333 -5.965
27 HD2 PRO 5 2HD PRO 5 -9.864 5.755 -3.375
28 HD3 PRO 5 1HD PRO 5 -9.906 4.012 -3.715
29 H PHE 6 H PHE 6 -8.094 6.719 -2.424
30 HA PHE 6 HA PHE 6 -7.574 9.480 -3.098
31 HB2 PHE 6 2HB PHE 6 -8.739 8.208 -0.620
32 HB3 PHE 6 1HB PHE 6 -8.594 9.944 -0.870
33 HD1 PHE 6 1HD PHE 6 -9.811 10.965 -2.855
34 HD2 PHE 6 2HD PHE 6 -10.584 7.035 -1.416
35 HE1 PHE 6 1HE PHE 6 -11.994 10.983 -3.989
36 HE2 PHE 6 2HE PHE 6 -12.769 7.046 -2.548
37 HZ PHE 6 HZ PHE 6 -13.475 9.022 -3.836
38 H ASN 7 H ASN 7 -6.630 7.385 -0.365
39 HA ASN 7 HA ASN 7 -4.433 9.241 0.221
40 HB2 ASN 7 2HB ASN 7 -6.141 8.398 1.976
41 HB3 ASN 7 1HB ASN 7 -5.244 6.884 1.917
42 HD21 ASN 7 1HD2 ASN 7 -4.323 6.894 3.881
43 HD22 ASN 7 2HD2 ASN 7 -3.204 8.092 4.430
44 H GLU 8 H GLU 8 -4.081 7.771 -2.048
45 HA GLU 8 HA GLU 8 -2.657 5.348 -1.589
46 HB2 GLU 8 2HB GLU 8 -3.781 6.433 -3.783
47 HB3 GLU 8 1HB GLU 8 -2.121 6.942 -4.045
48 HG2 GLU 8 2HG GLU 8 -2.973 4.094 -3.586
49 HG3 GLU 8 1HG GLU 8 -2.725 4.821 -5.171
50 H ASN 9 H ASN 9 -1.709 8.699 -2.202
51 HA ASN 9 HA ASN 9 1.050 8.296 -2.352
52 HB2 ASN 9 2HB ASN 9 -0.708 10.624 -1.767
53 HB3 ASN 9 1HB ASN 9 0.987 10.771 -1.313
54 HD21 ASN 9 1HD2 ASN 9 -0.786 11.962 -3.480
55 HD22 ASN 9 2HD2 ASN 9 0.144 11.756 -4.920
56 H GLU 10 H GLU 10 -1.041 8.629 0.470
57 HA GLU 10 HA GLU 10 1.174 8.811 2.282
58 HB2 GLU 10 2HB GLU 10 -1.152 9.704 2.742
59 HB3 GLU 10 1HB GLU 10 -1.650 8.040 3.006
60 HG2 GLU 10 2HG GLU 10 0.641 9.226 4.531
61 HG3 GLU 10 1HG GLU 10 -1.025 9.496 5.034
62 H CYS 11 H CYS 11 -1.233 6.241 1.548
63 HA CYS 11 HA CYS 11 -0.044 4.292 3.174
64 HB2 CYS 11 2HB CYS 11 -2.311 4.302 1.783
65 HB3 CYS 11 1HB CYS 11 -1.323 3.447 0.604
66 H HIS 12 H HIS 12 0.629 5.276 -0.123
67 HA HIS 12 HA HIS 12 2.429 3.202 -0.784
68 HB2 HIS 12 2HB HIS 12 1.243 5.159 -2.190
69 HB3 HIS 12 1HB HIS 12 2.816 5.912 -1.949
70 HD1 HIS 12 1HD HIS 12 1.053 3.389 -3.942
71 HD2 HIS 12 2HD HIS 12 4.982 4.462 -3.119
72 HE1 HIS 12 1HE HIS 12 2.465 2.218 -5.674
73 HE2 HIS 12 2HE HIS 12 4.797 3.075 -5.288
74 H ALA 13 H ALA 13 3.057 6.595 0.171
75 HA ALA 13 HA ALA 13 5.852 6.289 0.394
76 HB1 ALA 13 1HB ALA 13 4.779 8.475 0.167
77 HB2 ALA 13 2HB ALA 13 5.825 8.414 1.586
78 HB3 ALA 13 3HB ALA 13 4.075 8.296 1.775
79 H HIS 14 H HIS 14 3.224 5.847 2.680
80 HA HIS 14 HA HIS 14 4.705 5.634 5.041
81 HB2 HIS 14 2HB HIS 14 2.175 5.725 4.773
82 HB3 HIS 14 1HB HIS 14 2.243 4.010 4.393
83 HD1 HIS 14 1HD HIS 14 4.061 5.878 7.154
84 HD2 HIS 14 2HD HIS 14 1.245 2.873 6.630
85 HE1 HIS 14 1HE HIS 14 3.667 4.923 9.445
86 HE2 HIS 14 2HE HIS 14 1.762 3.302 9.126
87 H CYS 15 H CYS 15 3.535 3.046 2.888
88 HA CYS 15 HA CYS 15 4.881 0.956 4.182
89 HB2 CYS 15 2HB CYS 15 3.024 0.877 2.364
90 HB3 CYS 15 1HB CYS 15 4.363 0.929 1.222
91 H LEU 16 H LEU 16 5.839 3.142 1.648
92 HA LEU 16 HA LEU 16 8.261 1.916 0.916
93 HB2 LEU 16 2HB LEU 16 6.971 4.525 0.535
94 HB3 LEU 16 1HB LEU 16 8.723 4.572 0.496
95 HG LEU 16 HG LEU 16 8.790 3.029 -1.354
96 HD11 LEU 16 1HD1 LEU 16 6.932 1.588 -0.678
97 HD12 LEU 16 2HD1 LEU 16 6.774 2.104 -2.357
98 HD13 LEU 16 3HD1 LEU 16 5.790 2.861 -1.104
99 HD21 LEU 16 3HD2 LEU 16 8.451 5.346 -1.951
100 HD22 LEU 16 1HD2 LEU 16 6.705 5.167 -1.767
101 HD23 LEU 16 2HD2 LEU 16 7.548 4.309 -3.056
102 H SER 17 H SER 17 7.387 3.935 3.599
103 HA SER 17 HA SER 17 10.102 4.587 4.314
104 HB2 SER 17 2HB SER 17 7.541 4.932 5.886
105 HB3 SER 17 1HB SER 17 9.099 5.663 6.272
106 HG SER 17 HG SER 17 7.612 6.101 3.884
107 H ILE 18 H ILE 18 8.044 1.881 4.834
108 HA ILE 18 HA ILE 18 9.549 1.164 7.251
109 HB ILE 18 HB ILE 18 7.855 -0.818 7.278
110 HG12 ILE 18 2HG1 ILE 18 6.312 1.242 5.689
111 HG13 ILE 18 1HG1 ILE 18 6.862 -0.313 5.074
112 HG21 ILE 18 1HG2 ILE 18 8.048 0.955 8.960
113 HG22 ILE 18 2HG2 ILE 18 6.365 0.518 8.673
114 HG23 ILE 18 3HG2 ILE 18 7.022 2.001 7.979
115 HD11 ILE 18 3HD1 ILE 18 5.421 -1.467 6.640
116 HD12 ILE 18 1HD1 ILE 18 4.491 -0.326 5.669
117 HD13 ILE 18 2HD1 ILE 18 4.912 0.072 7.334
118 H GLY 19 H GLY 19 10.736 1.064 4.633
119 HA2 GLY 19 2HA GLY 19 12.522 -0.408 4.077
120 HA3 GLY 19 1HA GLY 19 11.594 -1.740 4.742
121 H ARG 20 H ARG 20 9.164 -1.175 3.390
122 HA ARG 20 HA ARG 20 9.607 -2.623 1.008
123 HB2 ARG 20 2HB ARG 20 7.215 -0.991 1.867
124 HB3 ARG 20 1HB ARG 20 7.233 -2.072 0.482
125 HG2 ARG 20 2HG ARG 20 6.290 -3.427 2.059
126 HG3 ARG 20 1HG ARG 20 7.992 -3.839 2.264
127 HD2 ARG 20 2HD ARG 20 8.175 -2.649 4.243
128 HD3 ARG 20 1HD ARG 20 6.779 -1.635 3.881
129 HE ARG 20 HE ARG 20 5.488 -3.853 4.172
130 HH11 ARG 20 1HH1 ARG 20 8.349 -2.906 5.993
131 HH12 ARG 20 2HH1 ARG 20 7.905 -3.825 7.392
132 HH21 ARG 20 1HH2 ARG 20 4.892 -5.029 6.013
133 HH22 ARG 20 2HH2 ARG 20 5.935 -5.036 7.407
134 H LYS 21 H LYS 21 9.600 -1.990 -1.171
135 HA LYS 21 HA LYS 21 10.175 0.857 -1.567
136 HB2 LYS 21 2HB LYS 21 11.011 -1.576 -3.125
137 HB3 LYS 21 1HB LYS 21 11.226 0.059 -3.735
138 HG2 LYS 21 2HG LYS 21 12.384 -0.979 -1.154
139 HG3 LYS 21 1HG LYS 21 13.258 -0.850 -2.682
140 HD2 LYS 21 2HD LYS 21 13.713 1.290 -2.282
141 HD3 LYS 21 1HD LYS 21 11.996 1.648 -2.101
142 HE2 LYS 21 2HE LYS 21 13.145 0.285 0.208
143 HE3 LYS 21 1HE LYS 21 13.892 1.844 -0.121
144 HZ1 LYS 21 3HZ LYS 21 12.066 2.191 1.343
145 HZ2 LYS 21 1HZ LYS 21 11.010 1.307 0.360
146 HZ3 LYS 21 2HZ LYS 21 11.612 2.797 -0.167
147 H PHE 22 H PHE 22 7.979 -1.624 -2.396
148 HA PHE 22 HA PHE 22 6.398 0.285 -3.941
149 HB2 PHE 22 2HB PHE 22 6.439 -2.477 -5.036
150 HB3 PHE 22 1HB PHE 22 6.184 -0.951 -5.860
151 HD1 PHE 22 1HD PHE 22 8.082 0.390 -6.635
152 HD2 PHE 22 2HD PHE 22 8.635 -3.415 -4.807
153 HE1 PHE 22 1HE PHE 22 10.384 0.312 -7.502
154 HE2 PHE 22 2HE PHE 22 10.938 -3.497 -5.667
155 HZ PHE 22 HZ PHE 22 11.815 -1.633 -7.015
156 H GLY 23 H GLY 23 4.162 -0.303 -4.031
157 HA2 GLY 23 2HA GLY 23 2.908 -2.533 -3.102
158 HA3 GLY 23 1HA GLY 23 3.296 -1.638 -1.639
159 H PHE 24 H PHE 24 0.692 -2.286 -2.643
160 HA PHE 24 HA PHE 24 -0.558 0.261 -2.390
161 HB2 PHE 24 2HB PHE 24 -1.763 0.224 -4.577
162 HB3 PHE 24 1HB PHE 24 -0.035 0.501 -4.750
163 HD1 PHE 24 2HD PHE 24 1.415 -1.244 -5.679
164 HD2 PHE 24 1HD PHE 24 -2.803 -1.752 -5.434
165 HE1 PHE 24 2HE PHE 24 1.552 -3.114 -7.272
166 HE2 PHE 24 1HE PHE 24 -2.673 -3.623 -7.027
167 HZ PHE 24 HZ PHE 24 -0.494 -4.306 -7.947
168 H CYS 25 H CYS 25 -3.068 -0.077 -2.727
169 HA CYS 25 HA CYS 25 -3.809 -2.215 -1.041
170 HB2 CYS 25 2HB CYS 25 -6.178 -1.602 -1.769
171 HB3 CYS 25 1HB CYS 25 -5.232 -0.339 -0.987
172 H ALA 26 H ALA 26 -4.168 -4.257 -1.419
173 HA ALA 26 HA ALA 26 -4.701 -5.070 -4.206
174 HB1 ALA 26 1HB ALA 26 -3.048 -6.564 -2.176
175 HB2 ALA 26 2HB ALA 26 -2.424 -5.653 -3.551
176 HB3 ALA 26 3HB ALA 26 -3.403 -7.094 -3.820
177 H GLY 27 H GLY 27 -5.136 -7.758 -3.762
178 HA2 GLY 27 2HA GLY 27 -6.638 -9.301 -2.909
179 HA3 GLY 27 1HA GLY 27 -7.139 -8.110 -1.716
180 HA PRO 28 HA PRO 28 -10.271 -8.466 -5.276
181 HB2 PRO 28 2HB PRO 28 -12.231 -9.848 -4.020
182 HB3 PRO 28 1HB PRO 28 -10.924 -10.646 -4.904
183 HG2 PRO 28 2HG PRO 28 -11.211 -10.183 -1.959
184 HG3 PRO 28 1HG PRO 28 -10.674 -11.641 -2.814
185 HD2 PRO 28 2HD PRO 28 -8.946 -9.892 -1.663
186 HD3 PRO 28 1HD PRO 28 -8.540 -10.830 -3.115
187 H LEU 29 H LEU 29 -10.137 -7.506 -2.016
188 HA LEU 29 HA LEU 29 -12.646 -6.029 -2.100
189 HB2 LEU 29 2HB LEU 29 -10.578 -6.197 0.093
190 HB3 LEU 29 1HB LEU 29 -12.174 -5.485 0.230
191 HG LEU 29 HG LEU 29 -11.665 -8.408 -0.324
192 HD11 LEU 29 1HD1 LEU 29 -12.394 -7.032 2.256
193 HD12 LEU 29 2HD1 LEU 29 -10.846 -7.791 1.885
194 HD13 LEU 29 3HD1 LEU 29 -12.305 -8.775 2.002
195 HD21 LEU 29 3HD2 LEU 29 -14.176 -6.929 0.454
196 HD22 LEU 29 1HD2 LEU 29 -14.025 -8.670 0.220
197 HD23 LEU 29 2HD2 LEU 29 -13.815 -7.574 -1.147
198 H ARG 30 H ARG 30 -9.281 -5.560 -2.603
199 HA ARG 30 HA ARG 30 -7.964 -3.752 -3.021
200 HB2 ARG 30 2HB ARG 30 -9.886 -3.581 -4.759
201 HB3 ARG 30 1HB ARG 30 -10.453 -2.240 -3.775
202 HG2 ARG 30 2HG ARG 30 -9.115 -1.470 -5.652
203 HG3 ARG 30 1HG ARG 30 -8.346 -1.076 -4.114
204 HD2 ARG 30 2HD ARG 30 -6.727 -1.906 -5.753
205 HD3 ARG 30 1HD ARG 30 -6.846 -2.972 -4.356
206 HE ARG 30 HE ARG 30 -8.597 -3.926 -6.305
207 HH11 ARG 30 1HH1 ARG 30 -5.155 -3.543 -5.774
208 HH12 ARG 30 2HH1 ARG 30 -4.712 -4.834 -6.847
209 HH21 ARG 30 1HH2 ARG 30 -8.028 -5.649 -7.714
210 HH22 ARG 30 2HH2 ARG 30 -6.356 -6.041 -7.955
211 H ALA 31 H ALA 31 -8.502 -4.001 -0.395
212 HA ALA 31 HA ALA 31 -9.150 -1.284 0.522
213 HB1 ALA 31 1HB ALA 31 -9.290 -3.850 2.094
214 HB2 ALA 31 2HB ALA 31 -10.661 -3.023 1.358
215 HB3 ALA 31 3HB ALA 31 -9.758 -2.246 2.660
216 H THR 32 H THR 32 -7.351 -3.951 2.028
217 HA THR 32 HA THR 32 -5.504 -2.215 3.274
218 HB THR 32 HB THR 32 -4.695 -5.023 2.944
219 HG1 THR 32 1HG THR 32 -6.496 -5.670 4.351
220 HG21 THR 32 3HG2 THR 32 -3.711 -3.526 4.624
221 HG22 THR 32 1HG2 THR 32 -4.530 -4.892 5.384
222 HG23 THR 32 2HG2 THR 32 -5.300 -3.307 5.357
223 H CYS 33 H CYS 33 -3.428 -1.676 2.798
224 HA CYS 33 HA CYS 33 -2.573 -1.951 0.068
225 HB2 CYS 33 2HB CYS 33 -1.167 -0.717 2.440
226 HB3 CYS 33 1HB CYS 33 -0.620 -0.607 0.777
227 H THR 34 H THR 34 -1.176 -3.340 -0.726
228 HA THR 34 HA THR 34 0.229 -5.147 1.135
229 HB THR 34 HB THR 34 -0.601 -5.880 -1.666
230 HG1 THR 34 1HG THR 34 -2.132 -5.647 0.620
231 HG21 THR 34 3HG2 THR 34 -0.387 -8.166 -0.827
232 HG22 THR 34 1HG2 THR 34 0.036 -7.550 0.771
233 HG23 THR 34 2HG2 THR 34 1.117 -7.274 -0.594
234 H CYS 35 H CYS 35 2.379 -5.245 0.932
235 HA CYS 35 HA CYS 35 3.584 -3.998 -1.442
236 HB2 CYS 35 2HB CYS 35 4.518 -3.929 1.430
237 HB3 CYS 35 1HB CYS 35 5.451 -3.317 0.069
238 H GLY 36 H GLY 36 6.033 -4.668 -1.551
239 HA2 GLY 36 2HA GLY 36 6.182 -7.348 -2.262
240 HA3 GLY 36 1HA GLY 36 7.571 -6.323 -1.949
241 H LYS 37 H LYS 37 6.776 -5.889 0.840
242 HA LYS 37 HA LYS 37 7.287 -8.564 1.945
243 HB2 LYS 37 2HB LYS 37 8.672 -5.967 2.585
244 HB3 LYS 37 1HB LYS 37 8.647 -7.298 3.734
245 HG2 LYS 37 2HG LYS 37 9.889 -7.240 0.996
246 HG3 LYS 37 1HG LYS 37 10.691 -7.445 2.555
247 HD2 LYS 37 2HD LYS 37 10.179 -9.650 2.675
248 HD3 LYS 37 1HD LYS 37 8.605 -9.433 1.902
249 HE2 LYS 37 2HE LYS 37 10.261 -8.861 -0.158
250 HE3 LYS 37 1HE LYS 37 11.240 -10.037 0.720
251 HZ1 LYS 37 3HZ LYS 37 8.459 -10.447 -0.267
252 HZ2 LYS 37 1HZ LYS 37 9.353 -11.579 0.626
253 HZ3 LYS 37 2HZ LYS 37 9.865 -11.131 -0.921
254 H GLN 38 H GLN 38 4.772 -7.392 1.659
255 HA GLN 38 HA GLN 38 2.855 -6.936 2.769
256 HB2 GLN 38 2HB GLN 38 4.437 -8.122 5.054
257 HB3 GLN 38 1HB GLN 38 2.746 -7.661 5.192
258 HG2 GLN 38 2HG GLN 38 3.877 -9.727 3.319
259 HG3 GLN 38 1HG GLN 38 2.960 -10.036 4.792
260 HE21 GLN 38 1HE2 GLN 38 0.741 -9.482 4.836
261 HE22 GLN 38 2HE2 GLN 38 -0.169 -9.351 3.375
Start of MODEL 3
1 H1 GLY 1 1HT GLY 1 -10.708 0.908 0.147
2 H2 GLY 1 2HT GLY 1 -9.556 2.134 0.354
3 H3 GLY 1 3HT GLY 1 -10.911 2.066 1.363
4 HA2 GLY 1 1HA GLY 1 -10.169 -0.006 2.314
5 HA3 GLY 1 2HA GLY 1 -8.773 0.022 1.243
6 H PHE 2 H PHE 2 -7.251 0.095 2.876
7 HA PHE 2 HA PHE 2 -7.339 1.915 5.044
8 HB2 PHE 2 2HB PHE 2 -5.941 -0.216 4.846
9 HB3 PHE 2 1HB PHE 2 -4.827 0.725 3.860
10 HD1 PHE 2 2HD PHE 2 -6.636 1.178 7.102
11 HD2 PHE 2 1HD PHE 2 -2.967 1.455 4.965
12 HE1 PHE 2 2HE PHE 2 -5.512 1.974 9.140
13 HE2 PHE 2 1HE PHE 2 -1.837 2.250 6.999
14 HZ PHE 2 HZ PHE 2 -3.110 2.512 9.091
15 H GLY 3 H GLY 3 -5.615 1.968 1.946
16 HA2 GLY 3 2HA GLY 3 -5.199 4.867 2.322
17 HA3 GLY 3 1HA GLY 3 -4.127 3.830 1.386
18 H CYS 4 H CYS 4 -5.469 2.504 -0.319
19 HA CYS 4 HA CYS 4 -6.283 4.173 -2.343
20 HB2 CYS 4 2HB CYS 4 -7.213 2.175 -3.397
21 HB3 CYS 4 1HB CYS 4 -5.695 1.779 -2.592
22 HA PRO 5 HA PRO 5 -7.362 4.290 -3.935
23 HB2 PRO 5 2HB PRO 5 -9.229 5.503 -5.452
24 HB3 PRO 5 1HB PRO 5 -9.262 3.770 -5.120
25 HG2 PRO 5 2HG PRO 5 -11.047 5.878 -4.154
26 HG3 PRO 5 1HG PRO 5 -11.279 4.124 -4.140
27 HD2 PRO 5 2HD PRO 5 -10.382 5.873 -1.989
28 HD3 PRO 5 1HD PRO 5 -10.846 4.160 -1.916
29 H PHE 6 H PHE 6 -8.465 6.612 -1.816
30 HA PHE 6 HA PHE 6 -7.699 8.915 -3.407
31 HB2 PHE 6 2HB PHE 6 -8.701 8.752 -0.561
32 HB3 PHE 6 1HB PHE 6 -8.449 10.237 -1.471
33 HD1 PHE 6 2HD PHE 6 -9.728 10.331 -3.779
34 HD2 PHE 6 1HD PHE 6 -10.810 7.853 -0.492
35 HE1 PHE 6 2HE PHE 6 -12.024 10.183 -4.652
36 HE2 PHE 6 1HE PHE 6 -13.108 7.702 -1.359
37 HZ PHE 6 HZ PHE 6 -13.718 8.868 -3.441
38 H ASN 7 H ASN 7 -6.587 7.270 -0.449
39 HA ASN 7 HA ASN 7 -4.183 8.966 -0.569
40 HB2 ASN 7 2HB ASN 7 -5.667 7.757 1.736
41 HB3 ASN 7 1HB ASN 7 -3.946 8.101 1.893
42 HD21 ASN 7 1HD2 ASN 7 -3.723 10.426 0.444
43 HD22 ASN 7 2HD2 ASN 7 -4.626 11.677 1.238
44 H GLU 8 H GLU 8 -4.293 6.832 -2.272
45 HA GLU 8 HA GLU 8 -3.066 4.519 -1.121
46 HB2 GLU 8 2HB GLU 8 -4.439 4.490 -3.224
47 HB3 GLU 8 1HB GLU 8 -3.121 5.323 -4.034
48 HG2 GLU 8 2HG GLU 8 -3.061 2.943 -4.492
49 HG3 GLU 8 1HG GLU 8 -1.635 3.447 -3.583
50 H ASN 9 H ASN 9 -1.984 7.483 -2.578
51 HA ASN 9 HA ASN 9 0.726 6.746 -2.993
52 HB2 ASN 9 2HB ASN 9 -0.609 9.436 -2.602
53 HB3 ASN 9 1HB ASN 9 1.110 9.258 -2.940
54 HD21 ASN 9 1HD2 ASN 9 -1.060 10.524 -4.462
55 HD22 ASN 9 2HD2 ASN 9 -1.022 9.781 -6.022
56 H GLU 10 H GLU 10 -1.076 8.154 -0.335
57 HA GLU 10 HA GLU 10 1.180 8.601 1.345
58 HB2 GLU 10 2HB GLU 10 -1.784 8.431 1.916
59 HB3 GLU 10 1HB GLU 10 -0.587 8.820 3.142
60 HG2 GLU 10 2HG GLU 10 -1.587 10.846 2.338
61 HG3 GLU 10 1HG GLU 10 0.095 10.785 1.817
62 H CYS 11 H CYS 11 -1.178 5.985 0.992
63 HA CYS 11 HA CYS 11 -0.226 4.460 3.181
64 HB2 CYS 11 2HB CYS 11 -2.384 4.200 1.617
65 HB3 CYS 11 1HB CYS 11 -1.330 3.060 0.782
66 H HIS 12 H HIS 12 0.624 4.690 -0.217
67 HA HIS 12 HA HIS 12 2.553 2.612 -0.263
68 HB2 HIS 12 2HB HIS 12 1.472 3.662 -2.284
69 HB3 HIS 12 1HB HIS 12 2.457 5.091 -2.007
70 HD1 HIS 12 1HD HIS 12 2.389 2.351 -4.147
71 HD2 HIS 12 2HD HIS 12 5.395 4.055 -1.853
72 HE1 HIS 12 1HE HIS 12 4.553 1.631 -5.218
73 HE2 HIS 12 2HE HIS 12 6.354 2.513 -3.691
74 H ALA 13 H ALA 13 2.716 6.101 0.330
75 HA ALA 13 HA ALA 13 5.500 6.347 0.570
76 HB1 ALA 13 1HB ALA 13 3.353 7.931 1.986
77 HB2 ALA 13 2HB ALA 13 4.009 8.280 0.386
78 HB3 ALA 13 3HB ALA 13 5.042 8.407 1.810
79 H HIS 14 H HIS 14 2.988 5.614 2.946
80 HA HIS 14 HA HIS 14 4.631 5.423 5.218
81 HB2 HIS 14 2HB HIS 14 2.153 5.409 5.292
82 HB3 HIS 14 1HB HIS 14 2.150 3.809 4.575
83 HD1 HIS 14 1HD HIS 14 4.360 4.995 7.426
84 HD2 HIS 14 2HD HIS 14 1.293 2.291 6.663
85 HE1 HIS 14 1HE HIS 14 4.132 3.622 9.522
86 HE2 HIS 14 2HE HIS 14 2.192 2.075 9.081
87 H CYS 15 H CYS 15 3.572 3.016 2.889
88 HA CYS 15 HA CYS 15 4.871 0.771 3.882
89 HB2 CYS 15 2HB CYS 15 3.265 0.533 2.121
90 HB3 CYS 15 1HB CYS 15 4.180 1.595 1.061
91 H LEU 16 H LEU 16 6.014 3.331 1.821
92 HA LEU 16 HA LEU 16 8.531 2.326 1.124
93 HB2 LEU 16 2HB LEU 16 7.262 5.006 1.263
94 HB3 LEU 16 1HB LEU 16 9.007 4.951 1.149
95 HG LEU 16 HG LEU 16 7.238 3.511 -0.814
96 HD11 LEU 16 1HD1 LEU 16 7.511 5.430 -2.307
97 HD12 LEU 16 2HD1 LEU 16 8.309 6.322 -1.011
98 HD13 LEU 16 3HD1 LEU 16 6.614 5.863 -0.851
99 HD21 LEU 16 3HD2 LEU 16 9.633 2.882 -0.645
100 HD22 LEU 16 1HD2 LEU 16 10.059 4.544 -1.051
101 HD23 LEU 16 2HD2 LEU 16 9.187 3.547 -2.216
102 H SER 17 H SER 17 7.374 3.871 4.019
103 HA SER 17 HA SER 17 9.951 4.506 5.085
104 HB2 SER 17 2HB SER 17 7.585 4.205 6.872
105 HB3 SER 17 1HB SER 17 8.824 5.459 6.846
106 HG SER 17 HG SER 17 7.657 5.789 4.596
107 H ILE 18 H ILE 18 8.045 1.603 5.010
108 HA ILE 18 HA ILE 18 9.493 0.556 7.336
109 HB ILE 18 HB ILE 18 7.944 -1.543 6.434
110 HG12 ILE 18 2HG1 ILE 18 6.267 0.969 6.276
111 HG13 ILE 18 1HG1 ILE 18 6.819 0.067 4.867
112 HG21 ILE 18 1HG2 ILE 18 6.603 -1.101 8.414
113 HG22 ILE 18 2HG2 ILE 18 7.236 0.544 8.492
114 HG23 ILE 18 3HG2 ILE 18 8.314 -0.829 8.746
115 HD11 ILE 18 3HD1 ILE 18 5.566 -1.879 5.609
116 HD12 ILE 18 1HD1 ILE 18 4.517 -0.471 5.441
117 HD13 ILE 18 2HD1 ILE 18 5.034 -0.998 7.043
118 H GLY 19 H GLY 19 10.827 1.119 4.832
119 HA2 GLY 19 2HA GLY 19 12.730 0.091 3.943
120 HA3 GLY 19 1HA GLY 19 12.160 -1.450 4.564
121 H ARG 20 H ARG 20 9.525 -1.176 3.377
122 HA ARG 20 HA ARG 20 10.059 -2.434 0.898
123 HB2 ARG 20 2HB ARG 20 7.370 -1.314 1.131
124 HB3 ARG 20 1HB ARG 20 7.876 -2.983 0.929
125 HG2 ARG 20 2HG ARG 20 8.016 -1.577 3.578
126 HG3 ARG 20 1HG ARG 20 6.565 -2.411 3.021
127 HD2 ARG 20 2HD ARG 20 8.442 -4.313 2.587
128 HD3 ARG 20 1HD ARG 20 9.125 -3.494 3.991
129 HE ARG 20 HE ARG 20 6.513 -4.865 3.868
130 HH11 ARG 20 1HH1 ARG 20 9.024 -3.283 5.761
131 HH12 ARG 20 2HH1 ARG 20 8.442 -3.913 7.266
132 HH21 ARG 20 1HH2 ARG 20 5.749 -5.676 5.835
133 HH22 ARG 20 2HH2 ARG 20 6.578 -5.269 7.313
134 H LYS 21 H LYS 21 9.651 -1.678 -1.236
135 HA LYS 21 HA LYS 21 9.822 1.238 -1.437
136 HB2 LYS 21 2HB LYS 21 10.770 -0.916 -3.313
137 HB3 LYS 21 1HB LYS 21 10.771 0.794 -3.724
138 HG2 LYS 21 2HG LYS 21 12.246 -0.426 -1.398
139 HG3 LYS 21 1HG LYS 21 12.967 0.004 -2.950
140 HD2 LYS 21 2HD LYS 21 13.068 2.184 -2.422
141 HD3 LYS 21 1HD LYS 21 11.447 2.182 -1.725
142 HE2 LYS 21 2HE LYS 21 13.494 0.759 -0.159
143 HE3 LYS 21 1HE LYS 21 13.733 2.500 -0.300
144 HZ1 LYS 21 3HZ LYS 21 11.198 1.237 0.610
145 HZ2 LYS 21 1HZ LYS 21 11.577 2.886 0.626
146 HZ3 LYS 21 2HZ LYS 21 12.395 1.822 1.650
147 H PHE 22 H PHE 22 7.992 -1.503 -2.430
148 HA PHE 22 HA PHE 22 6.099 0.314 -3.744
149 HB2 PHE 22 2HB PHE 22 6.201 -2.501 -4.684
150 HB3 PHE 22 1HB PHE 22 5.761 -1.045 -5.557
151 HD1 PHE 22 2HD PHE 22 7.537 0.475 -6.401
152 HD2 PHE 22 1HD PHE 22 8.412 -3.358 -4.769
153 HE1 PHE 22 2HE PHE 22 9.752 0.530 -7.469
154 HE2 PHE 22 1HE PHE 22 10.629 -3.309 -5.835
155 HZ PHE 22 HZ PHE 22 11.301 -1.363 -7.187
156 H GLY 23 H GLY 23 3.923 -0.303 -3.611
157 HA2 GLY 23 2HA GLY 23 2.777 -2.486 -2.455
158 HA3 GLY 23 1HA GLY 23 3.240 -1.475 -1.092
159 H PHE 24 H PHE 24 0.601 -2.282 -2.127
160 HA PHE 24 HA PHE 24 -0.762 0.157 -1.726
161 HB2 PHE 24 2HB PHE 24 -1.864 0.420 -3.885
162 HB3 PHE 24 1HB PHE 24 -0.122 0.581 -4.077
163 HD1 PHE 24 1HD PHE 24 1.170 -1.448 -4.948
164 HD2 PHE 24 2HD PHE 24 -3.068 -1.107 -5.160
165 HE1 PHE 24 1HE PHE 24 1.124 -3.155 -6.720
166 HE2 PHE 24 2HE PHE 24 -3.120 -2.815 -6.929
167 HZ PHE 24 HZ PHE 24 -1.023 -3.840 -7.712
168 H CYS 25 H CYS 25 -3.235 -0.277 -2.338
169 HA CYS 25 HA CYS 25 -4.097 -2.334 -0.710
170 HB2 CYS 25 2HB CYS 25 -5.410 -0.775 -2.901
171 HB3 CYS 25 1HB CYS 25 -6.274 -2.117 -2.161
172 H ALA 26 H ALA 26 -4.105 -4.434 -0.854
173 HA ALA 26 HA ALA 26 -4.442 -5.712 -3.470
174 HB1 ALA 26 1HB ALA 26 -2.690 -7.341 -2.966
175 HB2 ALA 26 2HB ALA 26 -2.326 -6.493 -1.463
176 HB3 ALA 26 3HB ALA 26 -2.039 -5.702 -3.012
177 H GLY 27 H GLY 27 -4.595 -8.252 -2.944
178 HA2 GLY 27 2HA GLY 27 -5.641 -9.955 -1.754
179 HA3 GLY 27 1HA GLY 27 -5.971 -8.810 -0.461
180 HA PRO 28 HA PRO 28 -10.159 -9.095 -2.016
181 HB2 PRO 28 2HB PRO 28 -10.818 -7.074 -0.012
182 HB3 PRO 28 1HB PRO 28 -11.327 -8.762 -0.101
183 HG2 PRO 28 2HG PRO 28 -9.614 -7.862 1.786
184 HG3 PRO 28 1HG PRO 28 -9.531 -9.507 1.127
185 HD2 PRO 28 2HD PRO 28 -7.871 -7.105 0.443
186 HD3 PRO 28 1HD PRO 28 -7.365 -8.792 0.691
187 H LEU 29 H LEU 29 -8.779 -7.733 -3.741
188 HA LEU 29 HA LEU 29 -8.907 -6.163 -5.355
189 HB2 LEU 29 2HB LEU 29 -11.465 -5.422 -3.947
190 HB3 LEU 29 1HB LEU 29 -10.924 -4.664 -5.433
191 HG LEU 29 HG LEU 29 -11.548 -7.601 -5.108
192 HD11 LEU 29 1HD1 LEU 29 -13.102 -5.398 -6.455
193 HD12 LEU 29 2HD1 LEU 29 -13.552 -6.232 -4.967
194 HD13 LEU 29 3HD1 LEU 29 -13.504 -7.115 -6.492
195 HD21 LEU 29 3HD2 LEU 29 -9.834 -7.188 -6.792
196 HD22 LEU 29 1HD2 LEU 29 -10.865 -5.979 -7.558
197 HD23 LEU 29 2HD2 LEU 29 -11.352 -7.673 -7.546
198 H ARG 30 H ARG 30 -10.338 -4.213 -2.745
199 HA ARG 30 HA ARG 30 -7.870 -2.641 -2.628
200 HB2 ARG 30 2HB ARG 30 -10.610 -1.536 -3.255
201 HB3 ARG 30 1HB ARG 30 -9.282 -0.535 -2.686
202 HG2 ARG 30 2HG ARG 30 -7.967 -1.146 -4.644
203 HG3 ARG 30 1HG ARG 30 -9.283 -2.177 -5.211
204 HD2 ARG 30 2HD ARG 30 -9.419 0.809 -4.800
205 HD3 ARG 30 1HD ARG 30 -9.284 -0.016 -6.353
206 HE ARG 30 HE ARG 30 -11.545 -0.957 -4.940
207 HH11 ARG 30 1HH1 ARG 30 -10.397 1.815 -6.733
208 HH12 ARG 30 2HH1 ARG 30 -11.978 2.318 -7.233
209 HH21 ARG 30 1HH2 ARG 30 -13.646 -0.302 -5.589
210 HH22 ARG 30 2HH2 ARG 30 -13.834 1.108 -6.576
211 H ALA 31 H ALA 31 -8.065 -4.106 -0.629
212 HA ALA 31 HA ALA 31 -9.750 -2.860 1.424
213 HB1 ALA 31 1HB ALA 31 -9.978 -5.284 1.162
214 HB2 ALA 31 2HB ALA 31 -9.359 -4.854 2.756
215 HB3 ALA 31 3HB ALA 31 -8.263 -5.480 1.525
216 H THR 32 H THR 32 -6.681 -4.566 1.866
217 HA THR 32 HA THR 32 -5.700 -2.202 3.315
218 HB THR 32 HB THR 32 -4.457 -4.901 3.644
219 HG1 THR 32 1HG THR 32 -6.058 -5.422 5.188
220 HG21 THR 32 3HG2 THR 32 -3.476 -2.957 4.764
221 HG22 THR 32 1HG2 THR 32 -4.135 -4.095 5.939
222 HG23 THR 32 2HG2 THR 32 -5.021 -2.621 5.546
223 H CYS 33 H CYS 33 -3.737 -1.311 2.799
224 HA CYS 33 HA CYS 33 -2.652 -1.874 0.237
225 HB2 CYS 33 2HB CYS 33 -1.044 -0.366 2.240
226 HB3 CYS 33 1HB CYS 33 -1.323 -0.020 0.539
227 H THR 34 H THR 34 -1.460 -3.548 -0.229
228 HA THR 34 HA THR 34 0.275 -4.701 1.859
229 HB THR 34 HB THR 34 -0.465 -6.116 -0.688
230 HG1 THR 34 1HG THR 34 -2.242 -5.268 1.020
231 HG21 THR 34 3HG2 THR 34 1.301 -7.084 0.708
232 HG22 THR 34 1HG2 THR 34 -0.136 -8.108 0.712
233 HG23 THR 34 2HG2 THR 34 0.216 -7.074 2.098
234 H CYS 35 H CYS 35 2.428 -4.711 1.568
235 HA CYS 35 HA CYS 35 3.478 -3.365 -0.767
236 HB2 CYS 35 2HB CYS 35 4.934 -4.416 1.664
237 HB3 CYS 35 1HB CYS 35 5.591 -3.330 0.443
238 H GLY 36 H GLY 36 5.638 -4.282 -1.631
239 HA2 GLY 36 2HA GLY 36 5.168 -6.551 -3.114
240 HA3 GLY 36 1HA GLY 36 6.772 -5.937 -2.757
241 H LYS 37 H LYS 37 6.790 -6.385 0.024
242 HA LYS 37 HA LYS 37 6.574 -9.314 0.174
243 HB2 LYS 37 2HB LYS 37 8.852 -7.548 1.069
244 HB3 LYS 37 1HB LYS 37 8.636 -9.185 1.671
245 HG2 LYS 37 2HG LYS 37 8.736 -9.996 -0.678
246 HG3 LYS 37 1HG LYS 37 9.125 -8.348 -1.177
247 HD2 LYS 37 2HD LYS 37 11.133 -8.384 0.189
248 HD3 LYS 37 1HD LYS 37 10.729 -10.000 0.774
249 HE2 LYS 37 2HE LYS 37 10.882 -10.848 -1.529
250 HE3 LYS 37 1HE LYS 37 11.335 -9.236 -2.081
251 HZ1 LYS 37 3HZ LYS 37 13.307 -9.353 -0.694
252 HZ2 LYS 37 1HZ LYS 37 13.268 -10.651 -1.780
253 HZ3 LYS 37 2HZ LYS 37 12.870 -10.895 -0.155
254 H GLN 38 H GLN 38 4.537 -7.791 0.982
255 HA GLN 38 HA GLN 38 3.124 -7.366 2.698
256 HB2 GLN 38 2HB GLN 38 4.996 -9.320 4.017
257 HB3 GLN 38 1HB GLN 38 3.660 -8.596 4.903
258 HG2 GLN 38 2HG GLN 38 2.099 -9.494 3.218
259 HG3 GLN 38 1HG GLN 38 3.459 -10.284 2.419
260 HE21 GLN 38 1HE2 GLN 38 1.465 -10.213 5.279
261 HE22 GLN 38 2HE2 GLN 38 1.878 -11.791 5.845
Start of MODEL 4
1 H1 GLY 1 1HT GLY 1 -11.348 0.993 0.012
2 H2 GLY 1 2HT GLY 1 -9.980 1.993 -0.020
3 H3 GLY 1 3HT GLY 1 -11.332 2.435 0.898
4 HA2 GLY 1 1HA GLY 1 -11.008 0.475 2.315
5 HA3 GLY 1 2HA GLY 1 -9.543 0.127 1.403
6 H PHE 2 H PHE 2 -8.097 0.407 3.063
7 HA PHE 2 HA PHE 2 -8.148 2.611 4.851
8 HB2 PHE 2 2HB PHE 2 -6.994 0.484 5.363
9 HB3 PHE 2 1HB PHE 2 -5.833 0.812 4.081
10 HD1 PHE 2 1HD PHE 2 -7.167 2.275 7.235
11 HD2 PHE 2 2HD PHE 2 -3.858 1.895 4.586
12 HE1 PHE 2 1HE PHE 2 -5.748 3.483 8.840
13 HE2 PHE 2 2HE PHE 2 -2.433 3.102 6.187
14 HZ PHE 2 HZ PHE 2 -3.377 3.898 8.317
15 H GLY 3 H GLY 3 -6.123 1.868 2.030
16 HA2 GLY 3 2HA GLY 3 -5.283 4.674 1.943
17 HA3 GLY 3 1HA GLY 3 -4.531 3.345 1.069
18 H CYS 4 H CYS 4 -5.485 2.565 -0.814
19 HA CYS 4 HA CYS 4 -6.591 4.463 -2.529
20 HB2 CYS 4 2HB CYS 4 -7.165 1.642 -3.159
21 HB3 CYS 4 1HB CYS 4 -6.315 2.859 -4.106
22 HA PRO 5 HA PRO 5 -7.717 4.623 -4.227
23 HB2 PRO 5 2HB PRO 5 -9.995 5.940 -5.153
24 HB3 PRO 5 1HB PRO 5 -9.413 4.369 -5.696
25 HG2 PRO 5 2HG PRO 5 -11.810 4.880 -4.315
26 HG3 PRO 5 1HG PRO 5 -11.076 3.292 -4.594
27 HD2 PRO 5 2HD PRO 5 -10.965 5.035 -2.176
28 HD3 PRO 5 1HD PRO 5 -10.995 3.261 -2.295
29 H PHE 6 H PHE 6 -8.416 5.914 -1.473
30 HA PHE 6 HA PHE 6 -8.521 8.712 -2.306
31 HB2 PHE 6 2HB PHE 6 -8.797 7.466 0.434
32 HB3 PHE 6 1HB PHE 6 -8.907 9.190 0.099
33 HD1 PHE 6 1HD PHE 6 -10.722 9.950 -1.544
34 HD2 PHE 6 2HD PHE 6 -10.686 6.125 0.319
35 HE1 PHE 6 1HE PHE 6 -13.128 9.710 -1.999
36 HE2 PHE 6 2HE PHE 6 -13.093 5.876 -0.133
37 HZ PHE 6 HZ PHE 6 -14.316 7.671 -1.294
38 H ASN 7 H ASN 7 -6.711 6.843 0.142
39 HA ASN 7 HA ASN 7 -4.451 8.680 -0.308
40 HB2 ASN 7 2HB ASN 7 -4.387 7.101 2.169
41 HB3 ASN 7 1HB ASN 7 -4.084 8.815 1.919
42 HD21 ASN 7 1HD2 ASN 7 -6.391 6.415 2.813
43 HD22 ASN 7 2HD2 ASN 7 -7.661 7.501 3.252
44 H GLU 8 H GLU 8 -4.424 6.758 -2.133
45 HA GLU 8 HA GLU 8 -3.147 4.376 -1.193
46 HB2 GLU 8 2HB GLU 8 -2.624 4.217 -3.793
47 HB3 GLU 8 1HB GLU 8 -4.193 3.824 -3.115
48 HG2 GLU 8 2HG GLU 8 -4.826 6.241 -3.630
49 HG3 GLU 8 1HG GLU 8 -3.371 6.268 -4.632
50 H ASN 9 H ASN 9 -2.058 7.414 -2.545
51 HA ASN 9 HA ASN 9 0.655 6.630 -2.943
52 HB2 ASN 9 2HB ASN 9 -0.687 9.321 -2.605
53 HB3 ASN 9 1HB ASN 9 1.051 9.159 -2.836
54 HD21 ASN 9 1HD2 ASN 9 -1.304 10.230 -4.451
55 HD22 ASN 9 2HD2 ASN 9 -1.057 9.549 -6.020
56 H GLU 10 H GLU 10 -1.192 8.019 -0.330
57 HA GLU 10 HA GLU 10 0.976 8.502 1.434
58 HB2 GLU 10 2HB GLU 10 -1.985 8.123 1.938
59 HB3 GLU 10 1HB GLU 10 -0.839 8.631 3.167
60 HG2 GLU 10 2HG GLU 10 -2.033 10.540 2.299
61 HG3 GLU 10 1HG GLU 10 -0.331 10.640 1.858
62 H CYS 11 H CYS 11 -1.257 5.793 0.976
63 HA CYS 11 HA CYS 11 -0.296 4.243 3.138
64 HB2 CYS 11 2HB CYS 11 -2.391 3.937 1.507
65 HB3 CYS 11 1HB CYS 11 -1.265 2.885 0.657
66 H HIS 12 H HIS 12 0.663 4.624 -0.214
67 HA HIS 12 HA HIS 12 2.651 2.596 -0.252
68 HB2 HIS 12 2HB HIS 12 1.605 3.659 -2.286
69 HB3 HIS 12 1HB HIS 12 2.536 5.111 -1.943
70 HD1 HIS 12 1HD HIS 12 2.642 2.348 -4.092
71 HD2 HIS 12 2HD HIS 12 5.488 4.244 -1.746
72 HE1 HIS 12 1HE HIS 12 4.869 1.705 -5.078
73 HE2 HIS 12 2HE HIS 12 6.574 2.684 -3.499
74 H ALA 13 H ALA 13 2.694 6.082 0.386
75 HA ALA 13 HA ALA 13 5.458 6.397 0.734
76 HB1 ALA 13 1HB ALA 13 4.902 8.438 1.955
77 HB2 ALA 13 2HB ALA 13 3.222 7.916 2.079
78 HB3 ALA 13 3HB ALA 13 3.917 8.286 0.501
79 H HIS 14 H HIS 14 2.883 5.571 3.019
80 HA HIS 14 HA HIS 14 4.448 5.441 5.345
81 HB2 HIS 14 2HB HIS 14 1.964 5.311 5.319
82 HB3 HIS 14 1HB HIS 14 2.076 3.695 4.645
83 HD1 HIS 14 1HD HIS 14 4.117 5.090 7.528
84 HD2 HIS 14 2HD HIS 14 1.258 2.170 6.750
85 HE1 HIS 14 1HE HIS 14 3.931 3.744 9.646
86 HE2 HIS 14 2HE HIS 14 2.224 1.960 9.141
87 H CYS 15 H CYS 15 3.590 2.974 2.985
88 HA CYS 15 HA CYS 15 4.949 0.802 4.054
89 HB2 CYS 15 2HB CYS 15 3.398 0.665 2.139
90 HB3 CYS 15 1HB CYS 15 4.573 1.501 1.132
91 H LEU 16 H LEU 16 6.094 3.391 2.011
92 HA LEU 16 HA LEU 16 8.703 2.481 1.529
93 HB2 LEU 16 2HB LEU 16 7.342 5.132 1.526
94 HB3 LEU 16 1HB LEU 16 9.089 5.095 1.453
95 HG LEU 16 HG LEU 16 7.378 3.575 -0.503
96 HD11 LEU 16 1HD1 LEU 16 6.741 5.929 -0.609
97 HD12 LEU 16 2HD1 LEU 16 7.644 5.445 -2.045
98 HD13 LEU 16 3HD1 LEU 16 8.436 6.384 -0.779
99 HD21 LEU 16 3HD2 LEU 16 9.734 2.924 -0.330
100 HD22 LEU 16 1HD2 LEU 16 10.213 4.594 -0.639
101 HD23 LEU 16 2HD2 LEU 16 9.375 3.670 -1.887
102 H SER 17 H SER 17 7.254 4.110 4.250
103 HA SER 17 HA SER 17 9.661 4.952 5.501
104 HB2 SER 17 2HB SER 17 7.171 4.404 7.069
105 HB3 SER 17 1HB SER 17 8.328 5.723 7.232
106 HG SER 17 HG SER 17 7.351 6.005 4.844
107 H ILE 18 H ILE 18 8.170 1.841 5.274
108 HA ILE 18 HA ILE 18 9.613 0.988 7.687
109 HB ILE 18 HB ILE 18 8.314 -1.278 6.882
110 HG12 ILE 18 2HG1 ILE 18 6.393 1.015 6.427
111 HG13 ILE 18 1HG1 ILE 18 7.102 0.051 5.136
112 HG21 ILE 18 1HG2 ILE 18 6.822 -0.844 8.753
113 HG22 ILE 18 2HG2 ILE 18 7.255 0.865 8.724
114 HG23 ILE 18 3HG2 ILE 18 8.469 -0.347 9.144
115 HD11 ILE 18 3HD1 ILE 18 4.846 -0.678 5.652
116 HD12 ILE 18 1HD1 ILE 18 5.313 -0.977 7.325
117 HD13 ILE 18 2HD1 ILE 18 6.017 -1.941 6.028
118 H GLY 19 H GLY 19 10.802 1.628 5.052
119 HA2 GLY 19 2HA GLY 19 12.810 0.837 4.166
120 HA3 GLY 19 1HA GLY 19 12.529 -0.703 4.956
121 H ARG 20 H ARG 20 9.697 -0.313 3.554
122 HA ARG 20 HA ARG 20 10.397 -2.033 1.349
123 HB2 ARG 20 2HB ARG 20 7.655 -0.940 1.471
124 HB3 ARG 20 1HB ARG 20 8.197 -2.596 1.253
125 HG2 ARG 20 2HG ARG 20 8.173 -1.135 3.887
126 HG3 ARG 20 1HG ARG 20 6.909 -2.228 3.330
127 HD2 ARG 20 2HD ARG 20 9.115 -3.778 3.022
128 HD3 ARG 20 1HD ARG 20 9.574 -2.809 4.424
129 HE ARG 20 HE ARG 20 7.147 -4.499 4.255
130 HH11 ARG 20 1HH1 ARG 20 9.632 -2.891 6.156
131 HH12 ARG 20 2HH1 ARG 20 9.170 -3.680 7.630
132 HH21 ARG 20 1HH2 ARG 20 6.527 -5.505 6.173
133 HH22 ARG 20 2HH2 ARG 20 7.399 -5.167 7.644
134 H LYS 21 H LYS 21 9.686 -1.556 -0.894
135 HA LYS 21 HA LYS 21 10.113 1.286 -1.468
136 HB2 LYS 21 2HB LYS 21 10.699 -1.166 -3.107
137 HB3 LYS 21 1HB LYS 21 10.739 0.456 -3.784
138 HG2 LYS 21 2HG LYS 21 12.938 0.194 -3.267
139 HG3 LYS 21 1HG LYS 21 12.360 0.900 -1.757
140 HD2 LYS 21 2HD LYS 21 12.054 -1.454 -0.905
141 HD3 LYS 21 1HD LYS 21 12.911 -2.003 -2.347
142 HE2 LYS 21 2HE LYS 21 14.494 -1.858 -0.565
143 HE3 LYS 21 1HE LYS 21 14.816 -0.532 -1.682
144 HZ1 LYS 21 3HZ LYS 21 13.567 0.937 -0.184
145 HZ2 LYS 21 1HZ LYS 21 14.912 0.249 0.577
146 HZ3 LYS 21 2HZ LYS 21 13.360 -0.343 0.905
147 H PHE 22 H PHE 22 8.089 -1.442 -2.243
148 HA PHE 22 HA PHE 22 6.164 0.436 -3.417
149 HB2 PHE 22 2HB PHE 22 6.200 -2.372 -4.408
150 HB3 PHE 22 1HB PHE 22 5.666 -0.910 -5.215
151 HD1 PHE 22 1HD PHE 22 7.356 0.677 -6.135
152 HD2 PHE 22 2HD PHE 22 8.402 -3.190 -4.698
153 HE1 PHE 22 1HE PHE 22 9.483 0.800 -7.365
154 HE2 PHE 22 2HE PHE 22 10.532 -3.072 -5.924
155 HZ PHE 22 HZ PHE 22 11.075 -1.076 -7.259
156 H GLY 23 H GLY 23 3.989 -0.172 -3.259
157 HA2 GLY 23 2HA GLY 23 2.869 -2.334 -2.002
158 HA3 GLY 23 1HA GLY 23 3.309 -1.229 -0.704
159 H PHE 24 H PHE 24 0.717 -2.170 -2.083
160 HA PHE 24 HA PHE 24 -0.714 0.265 -1.705
161 HB2 PHE 24 2HB PHE 24 -1.687 0.394 -3.997
162 HB3 PHE 24 1HB PHE 24 0.028 0.782 -3.959
163 HD1 PHE 24 1HD PHE 24 1.667 -0.728 -4.942
164 HD2 PHE 24 2HD PHE 24 -2.500 -1.578 -5.113
165 HE1 PHE 24 1HE PHE 24 2.084 -2.403 -6.696
166 HE2 PHE 24 2HE PHE 24 -2.090 -3.256 -6.864
167 HZ PHE 24 HZ PHE 24 0.205 -3.670 -7.658
168 H CYS 25 H CYS 25 -3.127 -0.168 -2.358
169 HA CYS 25 HA CYS 25 -3.946 -2.454 -0.956
170 HB2 CYS 25 2HB CYS 25 -5.711 -1.081 -2.955
171 HB3 CYS 25 1HB CYS 25 -6.143 -1.792 -1.403
172 H ALA 26 H ALA 26 -3.829 -4.472 -1.527
173 HA ALA 26 HA ALA 26 -4.375 -5.194 -4.328
174 HB1 ALA 26 1HB ALA 26 -1.954 -5.247 -3.994
175 HB2 ALA 26 2HB ALA 26 -2.597 -6.867 -4.263
176 HB3 ALA 26 3HB ALA 26 -2.161 -6.351 -2.634
177 H GLY 27 H GLY 27 -4.426 -7.805 -4.315
178 HA2 GLY 27 2HA GLY 27 -5.198 -9.740 -3.112
179 HA3 GLY 27 1HA GLY 27 -6.045 -8.661 -2.011
180 HA PRO 28 HA PRO 28 -9.226 -10.136 -4.982
181 HB2 PRO 28 2HB PRO 28 -11.235 -10.310 -3.176
182 HB3 PRO 28 1HB PRO 28 -10.042 -11.596 -3.397
183 HG2 PRO 28 2HG PRO 28 -10.169 -9.468 -1.297
184 HG3 PRO 28 1HG PRO 28 -9.768 -11.187 -1.127
185 HD2 PRO 28 2HD PRO 28 -7.888 -9.217 -1.218
186 HD3 PRO 28 1HD PRO 28 -7.590 -10.871 -1.790
187 H LEU 29 H LEU 29 -9.035 -7.504 -2.757
188 HA LEU 29 HA LEU 29 -10.705 -5.869 -4.500
189 HB2 LEU 29 2HB LEU 29 -11.133 -6.227 -1.536
190 HB3 LEU 29 1HB LEU 29 -11.730 -4.830 -2.409
191 HG LEU 29 HG LEU 29 -12.502 -7.666 -3.089
192 HD11 LEU 29 1HD1 LEU 29 -14.608 -7.202 -1.942
193 HD12 LEU 29 2HD1 LEU 29 -13.981 -5.641 -1.415
194 HD13 LEU 29 3HD1 LEU 29 -13.242 -7.131 -0.829
195 HD21 LEU 29 3HD2 LEU 29 -12.748 -6.071 -4.916
196 HD22 LEU 29 1HD2 LEU 29 -13.675 -4.998 -3.869
197 HD23 LEU 29 2HD2 LEU 29 -14.325 -6.577 -4.309
198 H ARG 30 H ARG 30 -9.926 -3.821 -4.714
199 HA ARG 30 HA ARG 30 -7.337 -3.262 -3.611
200 HB2 ARG 30 2HB ARG 30 -8.365 -2.590 -5.944
201 HB3 ARG 30 1HB ARG 30 -8.955 -1.193 -5.054
202 HG2 ARG 30 2HG ARG 30 -6.724 -0.538 -4.478
203 HG3 ARG 30 1HG ARG 30 -6.064 -2.026 -5.156
204 HD2 ARG 30 2HD ARG 30 -5.657 -0.494 -6.839
205 HD3 ARG 30 1HD ARG 30 -7.178 -1.221 -7.356
206 HE ARG 30 HE ARG 30 -8.308 0.758 -6.706
207 HH11 ARG 30 1HH1 ARG 30 -4.825 1.000 -6.450
208 HH12 ARG 30 2HH1 ARG 30 -4.817 2.743 -6.379
209 HH21 ARG 30 1HH2 ARG 30 -8.289 3.058 -6.619
210 HH22 ARG 30 2HH2 ARG 30 -6.775 3.900 -6.434
211 H ALA 31 H ALA 31 -8.295 -3.460 -1.378
212 HA ALA 31 HA ALA 31 -9.089 -0.782 -0.439
213 HB1 ALA 31 1HB ALA 31 -10.554 -1.793 1.217
214 HB2 ALA 31 2HB ALA 31 -10.148 -3.400 0.617
215 HB3 ALA 31 3HB ALA 31 -11.034 -2.274 -0.410
216 H THR 32 H THR 32 -7.596 -3.883 0.402
217 HA THR 32 HA THR 32 -6.327 -2.680 2.737
218 HB THR 32 HB THR 32 -5.947 -5.528 1.855
219 HG1 THR 32 1HG THR 32 -7.853 -5.952 3.193
220 HG21 THR 32 3HG2 THR 32 -5.769 -5.911 4.272
221 HG22 THR 32 1HG2 THR 32 -6.072 -4.199 4.567
222 HG23 THR 32 2HG2 THR 32 -4.604 -4.703 3.730
223 H CYS 33 H CYS 33 -4.323 -1.879 2.632
224 HA CYS 33 HA CYS 33 -2.791 -2.005 0.248
225 HB2 CYS 33 2HB CYS 33 -1.974 -1.081 3.003
226 HB3 CYS 33 1HB CYS 33 -1.054 -0.813 1.531
227 H THR 34 H THR 34 -1.267 -3.291 -0.370
228 HA THR 34 HA THR 34 -0.053 -5.179 1.534
229 HB THR 34 HB THR 34 -0.546 -5.923 -1.335
230 HG1 THR 34 1HG THR 34 -2.431 -5.655 0.679
231 HG21 THR 34 3HG2 THR 34 -0.531 -8.198 -0.411
232 HG22 THR 34 1HG2 THR 34 -0.313 -7.537 1.208
233 HG23 THR 34 2HG2 THR 34 0.949 -7.328 -0.005
234 H CYS 35 H CYS 35 2.120 -5.053 1.522
235 HA CYS 35 HA CYS 35 3.381 -3.455 -0.571
236 HB2 CYS 35 2HB CYS 35 4.400 -4.435 2.100
237 HB3 CYS 35 1HB CYS 35 5.381 -3.533 0.949
238 H GLY 36 H GLY 36 5.590 -4.205 -1.323
239 HA2 GLY 36 2HA GLY 36 5.455 -6.468 -2.849
240 HA3 GLY 36 1HA GLY 36 6.973 -5.776 -2.301
241 H LYS 37 H LYS 37 6.963 -6.281 0.354
242 HA LYS 37 HA LYS 37 6.619 -9.189 0.586
243 HB2 LYS 37 2HB LYS 37 9.035 -7.517 1.163
244 HB3 LYS 37 1HB LYS 37 8.718 -8.923 2.172
245 HG2 LYS 37 2HG LYS 37 8.757 -10.367 0.234
246 HG3 LYS 37 1HG LYS 37 8.969 -8.974 -0.828
247 HD2 LYS 37 2HD LYS 37 11.133 -8.524 0.078
248 HD3 LYS 37 1HD LYS 37 10.907 -9.721 1.355
249 HE2 LYS 37 2HE LYS 37 12.361 -10.512 -0.491
250 HE3 LYS 37 1HE LYS 37 10.931 -11.514 -0.245
251 HZ1 LYS 37 3HZ LYS 37 9.867 -10.355 -2.098
252 HZ2 LYS 37 1HZ LYS 37 11.296 -11.120 -2.584
253 HZ3 LYS 37 2HZ LYS 37 11.271 -9.445 -2.350
254 H GLN 38 H GLN 38 4.837 -7.174 1.308
255 HA GLN 38 HA GLN 38 3.547 -6.387 2.977
256 HB2 GLN 38 2HB GLN 38 4.455 -9.021 3.873
257 HB3 GLN 38 1HB GLN 38 3.979 -7.961 5.193
258 HG2 GLN 38 2HG GLN 38 2.322 -8.851 2.851
259 HG3 GLN 38 1HG GLN 38 2.062 -9.195 4.561
260 HE21 GLN 38 1HE2 GLN 38 1.266 -7.555 5.902
261 HE22 GLN 38 2HE2 GLN 38 0.470 -6.163 5.264
Start of MODEL 5
1 H1 GLY 1 1HT GLY 1 -8.988 -1.144 1.557
2 H2 GLY 1 2HT GLY 1 -8.871 0.495 1.154
3 H3 GLY 1 3HT GLY 1 -10.132 -0.039 2.142
4 HA2 GLY 1 1HA GLY 1 -8.632 -0.562 3.913
5 HA3 GLY 1 2HA GLY 1 -7.264 -0.180 2.877
6 H PHE 2 H PHE 2 -6.690 1.318 4.648
7 HA PHE 2 HA PHE 2 -8.385 3.644 4.965
8 HB2 PHE 2 2HB PHE 2 -6.724 4.414 6.583
9 HB3 PHE 2 1HB PHE 2 -7.178 2.749 6.914
10 HD1 PHE 2 1HD PHE 2 -5.596 0.910 6.349
11 HD2 PHE 2 2HD PHE 2 -4.495 5.013 6.078
12 HE1 PHE 2 1HE PHE 2 -3.219 0.271 6.362
13 HE2 PHE 2 2HE PHE 2 -2.119 4.380 6.086
14 HZ PHE 2 HZ PHE 2 -1.478 2.007 6.230
15 H GLY 3 H GLY 3 -5.893 2.644 2.914
16 HA2 GLY 3 2HA GLY 3 -5.075 5.374 2.263
17 HA3 GLY 3 1HA GLY 3 -4.330 3.898 1.660
18 H CYS 4 H CYS 4 -5.613 2.597 0.164
19 HA CYS 4 HA CYS 4 -6.389 3.849 -2.117
20 HB2 CYS 4 2HB CYS 4 -7.749 1.705 -2.514
21 HB3 CYS 4 1HB CYS 4 -6.027 1.521 -2.175
22 HA PRO 5 HA PRO 5 -7.486 3.761 -3.714
23 HB2 PRO 5 2HB PRO 5 -9.171 4.944 -5.426
24 HB3 PRO 5 1HB PRO 5 -9.483 3.329 -4.784
25 HG2 PRO 5 2HG PRO 5 -10.808 5.892 -4.161
26 HG3 PRO 5 1HG PRO 5 -11.423 4.240 -4.000
27 HD2 PRO 5 2HD PRO 5 -10.311 5.933 -1.958
28 HD3 PRO 5 1HD PRO 5 -10.941 4.282 -1.790
29 H PHE 6 H PHE 6 -8.290 6.528 -2.007
30 HA PHE 6 HA PHE 6 -7.141 8.401 -3.911
31 HB2 PHE 6 2HB PHE 6 -8.254 8.859 -1.138
32 HB3 PHE 6 1HB PHE 6 -7.730 10.122 -2.245
33 HD1 PHE 6 2HD PHE 6 -8.899 10.130 -4.576
34 HD2 PHE 6 1HD PHE 6 -10.467 8.230 -1.106
35 HE1 PHE 6 2HE PHE 6 -11.154 10.206 -5.557
36 HE2 PHE 6 1HE PHE 6 -12.725 8.303 -2.081
37 HZ PHE 6 HZ PHE 6 -13.070 9.292 -4.309
38 H ASN 7 H ASN 7 -6.447 7.174 -0.653
39 HA ASN 7 HA ASN 7 -3.884 8.581 -0.660
40 HB2 ASN 7 2HB ASN 7 -4.898 6.802 1.553
41 HB3 ASN 7 1HB ASN 7 -3.751 8.130 1.659
42 HD21 ASN 7 1HD2 ASN 7 -6.481 7.400 2.875
43 HD22 ASN 7 2HD2 ASN 7 -7.367 8.879 2.752
44 H GLU 8 H GLU 8 -4.025 6.644 -2.588
45 HA GLU 8 HA GLU 8 -3.034 4.121 -1.724
46 HB2 GLU 8 2HB GLU 8 -4.100 4.909 -4.026
47 HB3 GLU 8 1HB GLU 8 -2.415 5.175 -4.453
48 HG2 GLU 8 2HG GLU 8 -2.679 3.040 -5.185
49 HG3 GLU 8 1HG GLU 8 -2.140 2.728 -3.535
50 H ASN 9 H ASN 9 -1.524 7.056 -2.989
51 HA ASN 9 HA ASN 9 1.123 5.969 -2.875
52 HB2 ASN 9 2HB ASN 9 -0.066 8.612 -3.528
53 HB3 ASN 9 1HB ASN 9 1.611 8.601 -2.988
54 HD21 ASN 9 1HD2 ASN 9 0.364 9.167 -5.616
55 HD22 ASN 9 2HD2 ASN 9 1.170 8.120 -6.731
56 H GLU 10 H GLU 10 -0.981 7.592 -0.665
57 HA GLU 10 HA GLU 10 1.053 8.356 1.183
58 HB2 GLU 10 2HB GLU 10 -1.834 7.822 1.889
59 HB3 GLU 10 1HB GLU 10 -0.710 8.908 2.690
60 HG2 GLU 10 2HG GLU 10 -2.300 9.299 0.218
61 HG3 GLU 10 1HG GLU 10 -1.982 10.410 1.547
62 H CYS 11 H CYS 11 -1.068 5.565 0.780
63 HA CYS 11 HA CYS 11 -0.142 4.198 3.102
64 HB2 CYS 11 2HB CYS 11 -2.223 3.746 1.463
65 HB3 CYS 11 1HB CYS 11 -1.068 2.647 0.717
66 H HIS 12 H HIS 12 0.829 4.517 -0.203
67 HA HIS 12 HA HIS 12 2.839 2.538 -0.316
68 HB2 HIS 12 2HB HIS 12 1.837 3.578 -2.310
69 HB3 HIS 12 1HB HIS 12 2.513 5.133 -1.853
70 HD1 HIS 12 1HD HIS 12 3.403 4.726 -4.454
71 HD2 HIS 12 2HD HIS 12 5.250 2.631 -1.379
72 HE1 HIS 12 1HE HIS 12 5.616 3.965 -5.387
73 HE2 HIS 12 2HE HIS 12 6.730 2.710 -3.501
74 H ALA 13 H ALA 13 2.920 6.030 0.376
75 HA ALA 13 HA ALA 13 5.685 6.230 0.827
76 HB1 ALA 13 1HB ALA 13 4.256 8.188 0.465
77 HB2 ALA 13 2HB ALA 13 5.170 8.337 1.964
78 HB3 ALA 13 3HB ALA 13 3.462 7.899 2.012
79 H HIS 14 H HIS 14 2.965 5.489 2.940
80 HA HIS 14 HA HIS 14 4.306 5.365 5.392
81 HB2 HIS 14 2HB HIS 14 1.878 5.148 5.248
82 HB3 HIS 14 1HB HIS 14 2.035 3.646 4.358
83 HD1 HIS 14 1HD HIS 14 3.670 4.709 7.637
84 HD2 HIS 14 2HD HIS 14 1.231 1.725 6.075
85 HE1 HIS 14 1HE HIS 14 3.348 3.052 9.503
86 HE2 HIS 14 2HE HIS 14 1.972 1.196 8.495
87 H CYS 15 H CYS 15 3.725 2.893 2.963
88 HA CYS 15 HA CYS 15 5.131 0.793 4.129
89 HB2 CYS 15 2HB CYS 15 4.084 1.430 1.476
90 HB3 CYS 15 1HB CYS 15 5.515 0.407 1.427
91 H LEU 16 H LEU 16 6.243 3.477 2.204
92 HA LEU 16 HA LEU 16 8.846 2.610 1.650
93 HB2 LEU 16 2HB LEU 16 7.346 5.005 1.378
94 HB3 LEU 16 1HB LEU 16 8.862 5.420 2.152
95 HG LEU 16 HG LEU 16 10.040 4.226 0.267
96 HD11 LEU 16 1HD1 LEU 16 8.159 2.867 -0.487
97 HD12 LEU 16 2HD1 LEU 16 8.786 3.872 -1.792
98 HD13 LEU 16 3HD1 LEU 16 7.292 4.324 -0.970
99 HD21 LEU 16 3HD2 LEU 16 8.310 6.593 -0.444
100 HD22 LEU 16 1HD2 LEU 16 9.772 6.088 -1.291
101 HD23 LEU 16 2HD2 LEU 16 9.870 6.658 0.375
102 H SER 17 H SER 17 7.416 3.886 4.561
103 HA SER 17 HA SER 17 9.907 4.522 5.839
104 HB2 SER 17 2HB SER 17 7.389 4.023 7.377
105 HB3 SER 17 1HB SER 17 8.627 5.254 7.626
106 HG SER 17 HG SER 17 7.710 5.842 5.312
107 H ILE 18 H ILE 18 8.152 1.631 5.307
108 HA ILE 18 HA ILE 18 9.629 0.319 7.483
109 HB ILE 18 HB ILE 18 7.909 -1.614 6.863
110 HG12 ILE 18 2HG1 ILE 18 6.354 0.916 6.279
111 HG13 ILE 18 1HG1 ILE 18 6.823 -0.277 5.074
112 HG21 ILE 18 1HG2 ILE 18 7.247 0.752 8.613
113 HG22 ILE 18 2HG2 ILE 18 8.256 -0.622 9.065
114 HG23 ILE 18 3HG2 ILE 18 6.539 -0.859 8.737
115 HD11 ILE 18 3HD1 ILE 18 4.508 -0.555 5.716
116 HD12 ILE 18 1HD1 ILE 18 4.979 -0.742 7.404
117 HD13 ILE 18 2HD1 ILE 18 5.458 -1.954 6.215
118 H GLY 19 H GLY 19 10.500 1.020 4.696
119 HA2 GLY 19 2HA GLY 19 12.189 0.023 3.441
120 HA3 GLY 19 1HA GLY 19 11.832 -1.509 4.214
121 H ARG 20 H ARG 20 8.916 -0.411 3.138
122 HA ARG 20 HA ARG 20 9.074 -2.196 0.842
123 HB2 ARG 20 2HB ARG 20 6.543 -0.768 1.372
124 HB3 ARG 20 1HB ARG 20 6.824 -2.462 1.007
125 HG2 ARG 20 2HG ARG 20 7.448 -1.251 3.683
126 HG3 ARG 20 1HG ARG 20 5.874 -1.934 3.280
127 HD2 ARG 20 2HD ARG 20 7.518 -3.945 2.515
128 HD3 ARG 20 1HD ARG 20 8.427 -3.266 3.867
129 HE ARG 20 HE ARG 20 5.669 -4.324 4.010
130 HH11 ARG 20 1HH1 ARG 20 8.666 -3.372 5.588
131 HH12 ARG 20 2HH1 ARG 20 8.234 -4.098 7.101
132 HH21 ARG 20 1HH2 ARG 20 5.093 -5.250 5.991
133 HH22 ARG 20 2HH2 ARG 20 6.197 -5.165 7.337
134 H LYS 21 H LYS 21 10.020 -1.239 -0.855
135 HA LYS 21 HA LYS 21 9.810 1.514 -1.451
136 HB2 LYS 21 2HB LYS 21 10.657 -0.689 -3.322
137 HB3 LYS 21 1HB LYS 21 11.039 1.022 -3.467
138 HG2 LYS 21 2HG LYS 21 12.194 0.758 -1.195
139 HG3 LYS 21 1HG LYS 21 12.094 -0.976 -1.501
140 HD2 LYS 21 2HD LYS 21 14.211 -0.342 -2.299
141 HD3 LYS 21 1HD LYS 21 13.205 -0.477 -3.741
142 HE2 LYS 21 2HE LYS 21 14.569 1.526 -3.850
143 HE3 LYS 21 1HE LYS 21 12.864 1.953 -3.718
144 HZ1 LYS 21 3HZ LYS 21 14.245 3.321 -2.278
145 HZ2 LYS 21 1HZ LYS 21 14.816 1.945 -1.476
146 HZ3 LYS 21 2HZ LYS 21 13.184 2.374 -1.362
147 H PHE 22 H PHE 22 7.940 -1.227 -2.410
148 HA PHE 22 HA PHE 22 6.133 0.567 -3.855
149 HB2 PHE 22 2HB PHE 22 6.709 -2.179 -4.940
150 HB3 PHE 22 1HB PHE 22 5.868 -0.855 -5.724
151 HD1 PHE 22 1HD PHE 22 7.180 1.158 -6.455
152 HD2 PHE 22 2HD PHE 22 9.034 -2.457 -5.191
153 HE1 PHE 22 1HE PHE 22 9.264 1.843 -7.568
154 HE2 PHE 22 2HE PHE 22 11.123 -1.778 -6.300
155 HZ PHE 22 HZ PHE 22 11.240 0.375 -7.489
156 H GLY 23 H GLY 23 3.985 -0.478 -4.221
157 HA2 GLY 23 2HA GLY 23 2.717 -2.556 -3.412
158 HA3 GLY 23 1HA GLY 23 3.293 -2.040 -1.833
159 H PHE 24 H PHE 24 0.607 -2.377 -2.450
160 HA PHE 24 HA PHE 24 -0.507 0.023 -1.505
161 HB2 PHE 24 2HB PHE 24 -1.979 0.596 -3.429
162 HB3 PHE 24 1HB PHE 24 -0.277 0.913 -3.742
163 HD1 PHE 24 1HD PHE 24 0.990 -0.537 -5.286
164 HD2 PHE 24 2HD PHE 24 -3.201 -1.002 -4.707
165 HE1 PHE 24 1HE PHE 24 0.853 -1.853 -7.360
166 HE2 PHE 24 2HE PHE 24 -3.343 -2.324 -6.777
167 HZ PHE 24 HZ PHE 24 -1.315 -2.749 -8.107
168 H CYS 25 H CYS 25 -3.149 -0.228 -2.144
169 HA CYS 25 HA CYS 25 -3.909 -2.447 -0.582
170 HB2 CYS 25 2HB CYS 25 -5.438 -0.564 -2.348
171 HB3 CYS 25 1HB CYS 25 -6.237 -1.910 -1.547
172 H ALA 26 H ALA 26 -4.172 -4.501 -1.054
173 HA ALA 26 HA ALA 26 -4.292 -5.268 -3.884
174 HB1 ALA 26 1HB ALA 26 -3.563 -6.939 -1.480
175 HB2 ALA 26 2HB ALA 26 -2.425 -6.212 -2.616
176 HB3 ALA 26 3HB ALA 26 -3.533 -7.471 -3.161
177 H GLY 27 H GLY 27 -5.546 -7.326 -4.256
178 HA2 GLY 27 2HA GLY 27 -7.441 -8.666 -3.922
179 HA3 GLY 27 1HA GLY 27 -7.865 -7.675 -2.533
180 HA PRO 28 HA PRO 28 -10.021 -6.392 -6.694
181 HB2 PRO 28 2HB PRO 28 -12.299 -7.902 -6.531
182 HB3 PRO 28 1HB PRO 28 -10.874 -8.372 -7.464
183 HG2 PRO 28 2HG PRO 28 -11.717 -9.241 -4.727
184 HG3 PRO 28 1HG PRO 28 -11.054 -10.212 -6.054
185 HD2 PRO 28 2HD PRO 28 -9.534 -9.420 -3.983
186 HD3 PRO 28 1HD PRO 28 -8.881 -9.537 -5.630
187 H LEU 29 H LEU 29 -10.868 -6.923 -3.395
188 HA LEU 29 HA LEU 29 -13.088 -5.027 -3.523
189 HB2 LEU 29 2HB LEU 29 -12.086 -6.691 -1.210
190 HB3 LEU 29 1HB LEU 29 -13.518 -5.679 -1.194
191 HG LEU 29 HG LEU 29 -13.149 -8.080 -2.987
192 HD11 LEU 29 1HD1 LEU 29 -14.728 -9.199 -1.495
193 HD12 LEU 29 2HD1 LEU 29 -14.717 -7.795 -0.428
194 HD13 LEU 29 3HD1 LEU 29 -13.249 -8.748 -0.647
195 HD21 LEU 29 3HD2 LEU 29 -15.571 -6.388 -2.379
196 HD22 LEU 29 1HD2 LEU 29 -15.549 -7.838 -3.383
197 HD23 LEU 29 2HD2 LEU 29 -14.668 -6.398 -3.894
198 H ARG 30 H ARG 30 -9.899 -4.762 -3.398
199 HA ARG 30 HA ARG 30 -8.383 -3.251 -2.649
200 HB2 ARG 30 2HB ARG 30 -10.833 -1.532 -2.257
201 HB3 ARG 30 1HB ARG 30 -9.172 -0.955 -2.324
202 HG2 ARG 30 2HG ARG 30 -10.532 -2.418 -4.574
203 HG3 ARG 30 1HG ARG 30 -10.464 -0.666 -4.425
204 HD2 ARG 30 2HD ARG 30 -7.845 -1.838 -4.119
205 HD3 ARG 30 1HD ARG 30 -8.586 -2.315 -5.649
206 HE ARG 30 HE ARG 30 -8.944 0.137 -6.008
207 HH11 ARG 30 1HH1 ARG 30 -6.286 -1.089 -4.107
208 HH12 ARG 30 2HH1 ARG 30 -5.361 0.385 -4.192
209 HH21 ARG 30 1HH2 ARG 30 -7.711 2.066 -6.174
210 HH22 ARG 30 2HH2 ARG 30 -6.184 2.181 -5.345
211 H ALA 31 H ALA 31 -8.380 -4.933 -0.827
212 HA ALA 31 HA ALA 31 -9.487 -4.143 1.698
213 HB1 ALA 31 1HB ALA 31 -9.211 -6.498 1.105
214 HB2 ALA 31 2HB ALA 31 -8.332 -6.100 2.580
215 HB3 ALA 31 3HB ALA 31 -7.461 -6.285 1.057
216 H THR 32 H THR 32 -6.572 -5.277 2.561
217 HA THR 32 HA THR 32 -5.671 -2.680 3.435
218 HB THR 32 HB THR 32 -3.942 -5.023 3.916
219 HG1 THR 32 1HG THR 32 -5.420 -6.061 5.239
220 HG21 THR 32 3HG2 THR 32 -3.633 -2.881 5.073
221 HG22 THR 32 1HG2 THR 32 -4.023 -4.167 6.214
222 HG23 THR 32 2HG2 THR 32 -5.260 -3.002 5.741
223 H CYS 33 H CYS 33 -3.352 -2.087 3.225
224 HA CYS 33 HA CYS 33 -2.550 -2.277 0.472
225 HB2 CYS 33 2HB CYS 33 -1.035 -0.986 2.735
226 HB3 CYS 33 1HB CYS 33 -0.834 -0.686 1.017
227 H THR 34 H THR 34 -1.333 -3.764 -0.313
228 HA THR 34 HA THR 34 0.428 -5.311 1.472
229 HB THR 34 HB THR 34 -0.418 -6.190 -1.279
230 HG1 THR 34 1HG THR 34 -1.954 -5.980 0.985
231 HG21 THR 34 3HG2 THR 34 0.429 -7.697 1.200
232 HG22 THR 34 1HG2 THR 34 1.431 -7.397 -0.221
233 HG23 THR 34 2HG2 THR 34 0.004 -8.426 -0.349
234 H CYS 35 H CYS 35 2.549 -5.049 1.198
235 HA CYS 35 HA CYS 35 3.425 -3.729 -1.267
236 HB2 CYS 35 2HB CYS 35 4.398 -3.422 1.566
237 HB3 CYS 35 1HB CYS 35 5.298 -2.815 0.177
238 H GLY 36 H GLY 36 6.000 -3.953 -1.349
239 HA2 GLY 36 2HA GLY 36 6.639 -6.346 -2.434
240 HA3 GLY 36 1HA GLY 36 7.831 -5.314 -1.670
241 H LYS 37 H LYS 37 7.049 -5.588 1.006
242 HA LYS 37 HA LYS 37 7.376 -8.471 1.478
243 HB2 LYS 37 2HB LYS 37 8.912 -6.187 2.711
244 HB3 LYS 37 1HB LYS 37 8.825 -7.773 3.468
245 HG2 LYS 37 2HG LYS 37 9.810 -7.330 0.661
246 HG3 LYS 37 1HG LYS 37 10.865 -7.361 2.077
247 HD2 LYS 37 2HD LYS 37 10.639 -9.608 2.364
248 HD3 LYS 37 1HD LYS 37 8.990 -9.632 1.738
249 HE2 LYS 37 2HE LYS 37 11.212 -8.999 -0.139
250 HE3 LYS 37 1HE LYS 37 11.003 -10.671 0.377
251 HZ1 LYS 37 3HZ LYS 37 9.802 -10.018 -1.708
252 HZ2 LYS 37 1HZ LYS 37 8.789 -9.049 -0.757
253 HZ3 LYS 37 2HZ LYS 37 8.832 -10.723 -0.517
254 H GLN 38 H GLN 38 4.947 -7.321 1.448
255 HA GLN 38 HA GLN 38 3.019 -7.116 2.611
256 HB2 GLN 38 2HB GLN 38 4.632 -8.238 4.916
257 HB3 GLN 38 1HB GLN 38 2.883 -8.059 4.895
258 HG2 GLN 38 2HG GLN 38 2.807 -9.601 2.950
259 HG3 GLN 38 1HG GLN 38 4.541 -9.856 3.142
260 HE21 GLN 38 1HE2 GLN 38 5.289 -10.900 5.036
261 HE22 GLN 38 2HE2 GLN 38 4.251 -11.931 5.949
Start of MODEL 6
1 H1 GLY 1 1HT GLY 1 -9.516 2.268 -0.076
2 H2 GLY 1 2HT GLY 1 -10.908 2.586 0.834
3 H3 GLY 1 3HT GLY 1 -10.861 1.244 -0.197
4 HA2 GLY 1 1HA GLY 1 -10.586 0.495 2.049
5 HA3 GLY 1 2HA GLY 1 -9.086 0.274 1.157
6 H PHE 2 H PHE 2 -7.658 0.427 2.813
7 HA PHE 2 HA PHE 2 -7.787 2.336 4.895
8 HB2 PHE 2 2HB PHE 2 -6.474 0.327 5.183
9 HB3 PHE 2 1HB PHE 2 -5.474 0.723 3.791
10 HD1 PHE 2 1HD PHE 2 -6.414 1.987 7.164
11 HD2 PHE 2 2HD PHE 2 -3.469 1.838 4.094
12 HE1 PHE 2 1HE PHE 2 -4.816 3.131 8.645
13 HE2 PHE 2 2HE PHE 2 -1.867 2.982 5.569
14 HZ PHE 2 HZ PHE 2 -2.540 3.629 7.848
15 H GLY 3 H GLY 3 -5.842 2.202 1.930
16 HA2 GLY 3 2HA GLY 3 -5.399 5.101 2.209
17 HA3 GLY 3 1HA GLY 3 -4.267 4.004 1.430
18 H CYS 4 H CYS 4 -5.103 2.843 -0.491
19 HA CYS 4 HA CYS 4 -5.980 4.649 -2.430
20 HB2 CYS 4 2HB CYS 4 -6.529 1.893 -3.124
21 HB3 CYS 4 1HB CYS 4 -5.316 2.989 -3.779
22 HA PRO 5 HA PRO 5 -6.875 4.728 -4.223
23 HB2 PRO 5 2HB PRO 5 -8.745 5.932 -5.703
24 HB3 PRO 5 1HB PRO 5 -8.561 4.176 -5.700
25 HG2 PRO 5 2HG PRO 5 -10.637 5.864 -4.423
26 HG3 PRO 5 1HG PRO 5 -10.757 4.210 -5.045
27 HD2 PRO 5 2HD PRO 5 -10.400 5.017 -2.342
28 HD3 PRO 5 1HD PRO 5 -10.360 3.365 -2.984
29 H PHE 6 H PHE 6 -8.792 6.346 -1.918
30 HA PHE 6 HA PHE 6 -8.544 9.029 -2.705
31 HB2 PHE 6 2HB PHE 6 -8.655 7.953 0.121
32 HB3 PHE 6 1HB PHE 6 -9.057 9.589 -0.391
33 HD1 PHE 6 2HD PHE 6 -11.001 9.849 -2.047
34 HD2 PHE 6 1HD PHE 6 -10.295 6.318 0.220
35 HE1 PHE 6 2HE PHE 6 -13.338 9.166 -2.392
36 HE2 PHE 6 1HE PHE 6 -12.630 5.627 -0.120
37 HZ PHE 6 HZ PHE 6 -14.156 7.052 -1.427
38 H ASN 7 H ASN 7 -6.701 7.381 -0.142
39 HA ASN 7 HA ASN 7 -4.484 9.223 -0.702
40 HB2 ASN 7 2HB ASN 7 -3.655 8.265 1.602
41 HB3 ASN 7 1HB ASN 7 -4.874 9.530 1.558
42 HD21 ASN 7 1HD2 ASN 7 -4.062 6.940 3.223
43 HD22 ASN 7 2HD2 ASN 7 -5.629 6.311 3.634
44 H GLU 8 H GLU 8 -4.717 7.374 -2.534
45 HA GLU 8 HA GLU 8 -3.536 4.875 -2.115
46 HB2 GLU 8 2HB GLU 8 -4.801 5.687 -4.160
47 HB3 GLU 8 1HB GLU 8 -3.326 6.506 -4.648
48 HG2 GLU 8 2HG GLU 8 -2.318 4.599 -5.297
49 HG3 GLU 8 1HG GLU 8 -3.058 3.642 -4.013
50 H ASN 9 H ASN 9 -2.100 7.973 -3.031
51 HA ASN 9 HA ASN 9 0.550 7.015 -3.267
52 HB2 ASN 9 2HB ASN 9 -0.729 9.696 -3.069
53 HB3 ASN 9 1HB ASN 9 0.990 9.594 -2.695
54 HD21 ASN 9 1HD2 ASN 9 -0.412 10.872 -4.943
55 HD22 ASN 9 2HD2 ASN 9 0.277 10.181 -6.368
56 H GLU 10 H GLU 10 -1.368 8.121 -0.555
57 HA GLU 10 HA GLU 10 0.801 8.373 1.275
58 HB2 GLU 10 2HB GLU 10 -1.348 9.476 1.701
59 HB3 GLU 10 1HB GLU 10 -2.150 7.915 1.785
60 HG2 GLU 10 2HG GLU 10 0.093 8.540 3.655
61 HG3 GLU 10 1HG GLU 10 -1.522 9.178 3.963
62 H CYS 11 H CYS 11 -1.617 5.855 0.639
63 HA CYS 11 HA CYS 11 -0.761 3.930 2.440
64 HB2 CYS 11 2HB CYS 11 -2.780 3.504 1.316
65 HB3 CYS 11 1HB CYS 11 -2.076 3.801 -0.264
66 H HIS 12 H HIS 12 0.307 4.596 -0.838
67 HA HIS 12 HA HIS 12 2.206 2.545 -1.093
68 HB2 HIS 12 2HB HIS 12 1.248 4.111 -2.895
69 HB3 HIS 12 1HB HIS 12 2.457 5.272 -2.364
70 HD1 HIS 12 1HD HIS 12 1.962 2.544 -4.675
71 HD2 HIS 12 2HD HIS 12 5.195 4.172 -2.641
72 HE1 HIS 12 1HE HIS 12 4.008 1.750 -5.910
73 HE2 HIS 12 2HE HIS 12 5.943 2.861 -4.741
74 H ALA 13 H ALA 13 2.582 5.952 -0.114
75 HA ALA 13 HA ALA 13 5.347 5.831 0.425
76 HB1 ALA 13 1HB ALA 13 5.024 7.927 1.627
77 HB2 ALA 13 2HB ALA 13 3.277 7.676 1.618
78 HB3 ALA 13 3HB ALA 13 4.139 7.937 0.101
79 H HIS 14 H HIS 14 2.506 5.191 2.383
80 HA HIS 14 HA HIS 14 3.676 4.992 4.904
81 HB2 HIS 14 2HB HIS 14 1.229 4.935 4.448
82 HB3 HIS 14 1HB HIS 14 1.410 3.314 3.801
83 HD1 HIS 14 1HD HIS 14 2.770 4.800 7.029
84 HD2 HIS 14 2HD HIS 14 0.347 1.702 5.687
85 HE1 HIS 14 1HE HIS 14 2.246 3.424 9.068
86 HE2 HIS 14 2HE HIS 14 0.607 1.687 8.259
87 H CYS 15 H CYS 15 3.036 2.443 2.521
88 HA CYS 15 HA CYS 15 4.331 0.360 3.857
89 HB2 CYS 15 2HB CYS 15 3.532 0.897 1.054
90 HB3 CYS 15 1HB CYS 15 4.767 -0.336 1.283
91 H LEU 16 H LEU 16 5.541 2.781 1.650
92 HA LEU 16 HA LEU 16 8.179 1.845 1.392
93 HB2 LEU 16 2HB LEU 16 6.716 4.329 0.854
94 HB3 LEU 16 1HB LEU 16 8.418 4.561 1.195
95 HG LEU 16 HG LEU 16 9.012 3.050 -0.638
96 HD11 LEU 16 1HD1 LEU 16 7.078 1.572 -0.525
97 HD12 LEU 16 2HD1 LEU 16 7.296 2.209 -2.155
98 HD13 LEU 16 3HD1 LEU 16 6.039 2.873 -1.110
99 HD21 LEU 16 3HD2 LEU 16 8.776 5.418 -1.129
100 HD22 LEU 16 1HD2 LEU 16 7.052 5.201 -1.434
101 HD23 LEU 16 2HD2 LEU 16 8.238 4.449 -2.501
102 H SER 17 H SER 17 6.579 3.578 3.932
103 HA SER 17 HA SER 17 8.911 4.637 5.176
104 HB2 SER 17 2HB SER 17 6.225 4.101 6.455
105 HB3 SER 17 1HB SER 17 7.462 5.228 7.010
106 HG SER 17 HG SER 17 6.508 5.551 4.406
107 H ILE 18 H ILE 18 7.456 1.475 5.201
108 HA ILE 18 HA ILE 18 8.922 0.859 7.666
109 HB ILE 18 HB ILE 18 7.735 -1.410 7.471
110 HG12 ILE 18 2HG1 ILE 18 5.930 0.234 5.683
111 HG13 ILE 18 1HG1 ILE 18 6.936 -1.108 5.150
112 HG21 ILE 18 1HG2 ILE 18 7.243 0.293 9.156
113 HG22 ILE 18 2HG2 ILE 18 5.779 -0.542 8.638
114 HG23 ILE 18 3HG2 ILE 18 6.127 1.081 8.040
115 HD11 ILE 18 3HD1 ILE 18 4.603 -1.762 5.430
116 HD12 ILE 18 1HD1 ILE 18 4.678 -1.299 7.130
117 HD13 ILE 18 2HD1 ILE 18 5.661 -2.638 6.537
118 H GLY 19 H GLY 19 10.246 1.337 5.162
119 HA2 GLY 19 2HA GLY 19 12.298 0.468 4.447
120 HA3 GLY 19 1HA GLY 19 11.877 -1.072 5.171
121 H ARG 20 H ARG 20 9.218 -0.948 3.724
122 HA ARG 20 HA ARG 20 9.984 -2.528 1.511
123 HB2 ARG 20 2HB ARG 20 7.312 -1.199 1.546
124 HB3 ARG 20 1HB ARG 20 7.733 -2.850 1.118
125 HG2 ARG 20 2HG ARG 20 7.649 -1.724 3.912
126 HG3 ARG 20 1HG ARG 20 6.417 -2.743 3.169
127 HD2 ARG 20 2HD ARG 20 8.506 -4.341 2.802
128 HD3 ARG 20 1HD ARG 20 9.113 -3.450 4.198
129 HE ARG 20 HE ARG 20 6.687 -5.131 4.124
130 HH11 ARG 20 1HH1 ARG 20 9.011 -3.260 5.991
131 HH12 ARG 20 2HH1 ARG 20 8.566 -4.001 7.492
132 HH21 ARG 20 1HH2 ARG 20 6.101 -6.085 6.082
133 HH22 ARG 20 2HH2 ARG 20 6.908 -5.603 7.549
134 H LYS 21 H LYS 21 9.698 -2.083 -0.768
135 HA LYS 21 HA LYS 21 10.176 0.750 -1.369
136 HB2 LYS 21 2HB LYS 21 11.658 -1.457 -2.060
137 HB3 LYS 21 1HB LYS 21 10.720 -1.162 -3.518
138 HG2 LYS 21 2HG LYS 21 13.022 -0.046 -3.288
139 HG3 LYS 21 1HG LYS 21 11.669 0.929 -3.861
140 HD2 LYS 21 2HD LYS 21 12.969 2.169 -2.221
141 HD3 LYS 21 1HD LYS 21 11.362 1.817 -1.587
142 HE2 LYS 21 2HE LYS 21 12.765 -0.344 -0.718
143 HE3 LYS 21 1HE LYS 21 14.003 0.910 -0.670
144 HZ1 LYS 21 3HZ LYS 21 12.590 0.580 1.397
145 HZ2 LYS 21 1HZ LYS 21 11.330 1.317 0.538
146 HZ3 LYS 21 2HZ LYS 21 12.761 2.170 0.839
147 H PHE 22 H PHE 22 7.858 -1.632 -1.624
148 HA PHE 22 HA PHE 22 6.308 0.020 -3.469
149 HB2 PHE 22 2HB PHE 22 6.121 -2.971 -3.678
150 HB3 PHE 22 1HB PHE 22 5.591 -1.756 -4.826
151 HD1 PHE 22 1HD PHE 22 7.266 -0.555 -6.214
152 HD2 PHE 22 2HD PHE 22 8.303 -3.889 -3.778
153 HE1 PHE 22 1HE PHE 22 9.345 -0.842 -7.497
154 HE2 PHE 22 2HE PHE 22 10.385 -4.180 -5.056
155 HZ PHE 22 HZ PHE 22 10.908 -2.655 -6.918
156 H GLY 23 H GLY 23 3.962 -0.533 -3.308
157 HA2 GLY 23 2HA GLY 23 2.768 -2.150 -1.467
158 HA3 GLY 23 1HA GLY 23 3.256 -0.742 -0.536
159 H PHE 24 H PHE 24 0.650 -1.977 -1.549
160 HA PHE 24 HA PHE 24 -0.837 0.401 -1.686
161 HB2 PHE 24 2HB PHE 24 -1.751 0.205 -3.976
162 HB3 PHE 24 1HB PHE 24 -0.034 0.586 -3.986
163 HD1 PHE 24 2HD PHE 24 1.610 -1.103 -4.675
164 HD2 PHE 24 1HD PHE 24 -2.574 -1.859 -4.863
165 HE1 PHE 24 2HE PHE 24 2.026 -3.015 -6.166
166 HE2 PHE 24 1HE PHE 24 -2.165 -3.771 -6.353
167 HZ PHE 24 HZ PHE 24 0.137 -4.352 -7.007
168 H CYS 25 H CYS 25 -3.205 -0.210 -2.334
169 HA CYS 25 HA CYS 25 -3.966 -2.332 -0.643
170 HB2 CYS 25 2HB CYS 25 -5.674 -1.009 -2.753
171 HB3 CYS 25 1HB CYS 25 -6.227 -1.836 -1.300
172 H ALA 26 H ALA 26 -3.881 -4.410 -1.012
173 HA ALA 26 HA ALA 26 -4.572 -5.457 -3.651
174 HB1 ALA 26 1HB ALA 26 -2.652 -6.973 -3.656
175 HB2 ALA 26 2HB ALA 26 -2.059 -6.233 -2.170
176 HB3 ALA 26 3HB ALA 26 -2.131 -5.287 -3.657
177 H GLY 27 H GLY 27 -4.819 -7.903 -3.510
178 HA2 GLY 27 2HA GLY 27 -5.467 -9.832 -2.345
179 HA3 GLY 27 1HA GLY 27 -5.448 -8.905 -0.849
180 HA PRO 28 HA PRO 28 -9.888 -8.944 -1.301
181 HB2 PRO 28 2HB PRO 28 -10.015 -7.067 0.918
182 HB3 PRO 28 1HB PRO 28 -10.496 -8.763 0.876
183 HG2 PRO 28 2HG PRO 28 -8.359 -7.860 2.293
184 HG3 PRO 28 1HG PRO 28 -8.453 -9.495 1.614
185 HD2 PRO 28 2HD PRO 28 -7.006 -7.089 0.571
186 HD3 PRO 28 1HD PRO 28 -6.481 -8.786 0.627
187 H LEU 29 H LEU 29 -9.037 -7.533 -3.254
188 HA LEU 29 HA LEU 29 -9.496 -5.825 -4.668
189 HB2 LEU 29 2HB LEU 29 -11.498 -5.018 -2.554
190 HB3 LEU 29 1HB LEU 29 -11.395 -4.316 -4.158
191 HG LEU 29 HG LEU 29 -11.999 -7.223 -3.606
192 HD11 LEU 29 1HD1 LEU 29 -14.295 -6.668 -4.232
193 HD12 LEU 29 2HD1 LEU 29 -13.855 -4.964 -4.340
194 HD13 LEU 29 3HD1 LEU 29 -13.791 -5.794 -2.785
195 HD21 LEU 29 3HD2 LEU 29 -12.138 -5.589 -6.137
196 HD22 LEU 29 1HD2 LEU 29 -12.655 -7.267 -5.965
197 HD23 LEU 29 2HD2 LEU 29 -10.954 -6.843 -5.771
198 H ARG 30 H ARG 30 -10.084 -3.124 -4.185
199 HA ARG 30 HA ARG 30 -7.494 -2.238 -3.266
200 HB2 ARG 30 2HB ARG 30 -8.792 -1.343 -5.305
201 HB3 ARG 30 1HB ARG 30 -9.759 -0.450 -4.139
202 HG2 ARG 30 2HG ARG 30 -8.225 1.137 -4.014
203 HG3 ARG 30 1HG ARG 30 -6.983 -0.039 -3.587
204 HD2 ARG 30 2HD ARG 30 -6.282 1.106 -5.570
205 HD3 ARG 30 1HD ARG 30 -6.716 -0.544 -6.011
206 HE ARG 30 HE ARG 30 -8.875 0.422 -6.795
207 HH11 ARG 30 1HH1 ARG 30 -6.009 2.438 -6.576
208 HH12 ARG 30 2HH1 ARG 30 -6.545 3.542 -7.804
209 HH21 ARG 30 1HH2 ARG 30 -9.573 1.885 -8.427
210 HH22 ARG 30 2HH2 ARG 30 -8.564 3.225 -8.856
211 H ALA 31 H ALA 31 -8.255 -3.220 -1.092
212 HA ALA 31 HA ALA 31 -9.458 -1.055 0.506
213 HB1 ALA 31 1HB ALA 31 -10.398 -2.727 1.994
214 HB2 ALA 31 2HB ALA 31 -9.691 -4.016 1.019
215 HB3 ALA 31 3HB ALA 31 -10.953 -2.987 0.341
216 H THR 32 H THR 32 -7.754 -4.069 1.327
217 HA THR 32 HA THR 32 -6.253 -2.711 3.373
218 HB THR 32 HB THR 32 -5.704 -5.525 2.495
219 HG1 THR 32 1HG THR 32 -7.516 -5.989 4.067
220 HG21 THR 32 3HG2 THR 32 -5.392 -5.860 4.905
221 HG22 THR 32 1HG2 THR 32 -5.833 -4.178 5.199
222 HG23 THR 32 2HG2 THR 32 -4.362 -4.562 4.304
223 H CYS 33 H CYS 33 -4.226 -1.931 3.226
224 HA CYS 33 HA CYS 33 -2.879 -1.991 0.694
225 HB2 CYS 33 2HB CYS 33 -2.064 -0.833 3.354
226 HB3 CYS 33 1HB CYS 33 -1.082 -0.725 1.909
227 H THR 34 H THR 34 -1.317 -3.230 0.061
228 HA THR 34 HA THR 34 0.022 -4.993 2.006
229 HB THR 34 HB THR 34 -0.378 -5.811 -0.853
230 HG1 THR 34 1HG THR 34 -2.353 -5.434 0.952
231 HG21 THR 34 3HG2 THR 34 1.162 -7.101 0.543
232 HG22 THR 34 1HG2 THR 34 -0.254 -8.062 0.118
233 HG23 THR 34 2HG2 THR 34 -0.118 -7.358 1.729
234 H CYS 35 H CYS 35 2.163 -4.713 2.040
235 HA CYS 35 HA CYS 35 3.378 -2.952 0.112
236 HB2 CYS 35 2HB CYS 35 4.744 -4.432 2.356
237 HB3 CYS 35 1HB CYS 35 5.299 -2.978 1.534
238 H GLY 36 H GLY 36 5.370 -3.495 -1.010
239 HA2 GLY 36 2HA GLY 36 5.107 -5.746 -2.647
240 HA3 GLY 36 1HA GLY 36 6.541 -4.747 -2.522
241 H LYS 37 H LYS 37 6.769 -5.409 0.370
242 HA LYS 37 HA LYS 37 7.665 -8.195 0.109
243 HB2 LYS 37 2HB LYS 37 9.172 -5.819 1.153
244 HB3 LYS 37 1HB LYS 37 9.533 -7.430 1.761
245 HG2 LYS 37 2HG LYS 37 9.811 -8.106 -0.681
246 HG3 LYS 37 1HG LYS 37 9.835 -6.376 -1.029
247 HD2 LYS 37 2HD LYS 37 11.775 -6.052 0.307
248 HD3 LYS 37 1HD LYS 37 11.664 -7.682 0.976
249 HE2 LYS 37 2HE LYS 37 12.242 -6.974 -1.900
250 HE3 LYS 37 1HE LYS 37 13.418 -7.539 -0.716
251 HZ1 LYS 37 3HZ LYS 37 12.682 -9.333 -2.154
252 HZ2 LYS 37 1HZ LYS 37 11.073 -9.081 -1.691
253 HZ3 LYS 37 2HZ LYS 37 12.206 -9.624 -0.557
254 H GLN 38 H GLN 38 5.223 -7.613 1.091
255 HA GLN 38 HA GLN 38 3.812 -7.950 2.828
256 HB2 GLN 38 2HB GLN 38 6.218 -9.289 4.087
257 HB3 GLN 38 1HB GLN 38 4.556 -9.453 4.633
258 HG2 GLN 38 2HG GLN 38 5.458 -10.246 1.880
259 HG3 GLN 38 1HG GLN 38 5.477 -11.347 3.255
260 HE21 GLN 38 1HE2 GLN 38 3.994 -12.734 2.346
261 HE22 GLN 38 2HE2 GLN 38 2.323 -12.335 2.176
Start of MODEL 7
1 H1 GLY 1 1HT GLY 1 -10.098 3.539 1.704
2 H2 GLY 1 2HT GLY 1 -10.293 2.014 1.000
3 H3 GLY 1 3HT GLY 1 -8.971 2.983 0.569
4 HA2 GLY 1 1HA GLY 1 -9.463 1.700 3.198
5 HA3 GLY 1 2HA GLY 1 -8.195 1.293 2.046
6 H PHE 2 H PHE 2 -6.482 1.746 3.421
7 HA PHE 2 HA PHE 2 -6.262 4.106 4.957
8 HB2 PHE 2 2HB PHE 2 -4.934 2.075 5.414
9 HB3 PHE 2 1HB PHE 2 -4.063 2.309 3.901
10 HD1 PHE 2 2HD PHE 2 -4.624 3.657 7.276
11 HD2 PHE 2 1HD PHE 2 -2.283 3.878 3.730
12 HE1 PHE 2 2HE PHE 2 -2.989 5.074 8.447
13 HE2 PHE 2 1HE PHE 2 -0.645 5.295 4.895
14 HZ PHE 2 HZ PHE 2 -0.997 5.895 7.256
15 H GLY 3 H GLY 3 -4.918 3.191 1.804
16 HA2 GLY 3 2HA GLY 3 -4.264 6.029 1.358
17 HA3 GLY 3 1HA GLY 3 -3.457 4.681 0.566
18 H CYS 4 H CYS 4 -4.727 3.397 -0.949
19 HA CYS 4 HA CYS 4 -6.186 5.063 -2.731
20 HB2 CYS 4 2HB CYS 4 -6.542 2.263 -3.294
21 HB3 CYS 4 1HB CYS 4 -5.593 3.457 -4.176
22 HA PRO 5 HA PRO 5 -7.629 4.455 -4.465
23 HB2 PRO 5 2HB PRO 5 -9.899 5.572 -5.322
24 HB3 PRO 5 1HB PRO 5 -9.719 3.818 -5.205
25 HG2 PRO 5 2HG PRO 5 -11.096 5.714 -3.348
26 HG3 PRO 5 1HG PRO 5 -11.615 4.109 -3.897
27 HD2 PRO 5 2HD PRO 5 -10.414 4.601 -1.474
28 HD3 PRO 5 1HD PRO 5 -10.368 3.038 -2.311
29 H PHE 6 H PHE 6 -8.253 6.275 -1.793
30 HA PHE 6 HA PHE 6 -8.534 8.886 -2.794
31 HB2 PHE 6 2HB PHE 6 -7.175 8.091 -0.212
32 HB3 PHE 6 1HB PHE 6 -7.928 9.639 -0.583
33 HD1 PHE 6 2HD PHE 6 -10.445 9.627 -1.064
34 HD2 PHE 6 1HD PHE 6 -8.394 6.408 0.816
35 HE1 PHE 6 2HE PHE 6 -12.578 8.805 -0.155
36 HE2 PHE 6 1HE PHE 6 -10.523 5.578 1.728
37 HZ PHE 6 HZ PHE 6 -12.618 6.777 1.241
38 H ASN 7 H ASN 7 -5.586 7.605 -1.225
39 HA ASN 7 HA ASN 7 -4.053 8.826 -3.397
40 HB2 ASN 7 2HB ASN 7 -4.170 10.432 -1.479
41 HB3 ASN 7 1HB ASN 7 -3.287 9.250 -0.513
42 HD21 ASN 7 1HD2 ASN 7 -1.741 11.050 -0.344
43 HD22 ASN 7 2HD2 ASN 7 -0.561 11.226 -1.605
44 H GLU 8 H GLU 8 -3.053 7.217 -4.303
45 HA GLU 8 HA GLU 8 -2.294 4.830 -3.035
46 HB2 GLU 8 2HB GLU 8 -1.541 4.158 -5.086
47 HB3 GLU 8 1HB GLU 8 -2.488 5.537 -5.611
48 HG2 GLU 8 2HG GLU 8 -0.568 5.888 -6.779
49 HG3 GLU 8 1HG GLU 8 -0.218 6.817 -5.324
50 H ASN 9 H ASN 9 -0.726 7.901 -3.527
51 HA ASN 9 HA ASN 9 1.881 7.157 -2.760
52 HB2 ASN 9 2HB ASN 9 0.414 9.728 -3.051
53 HB3 ASN 9 1HB ASN 9 1.870 9.744 -2.059
54 HD21 ASN 9 1HD2 ASN 9 0.584 9.265 -5.256
55 HD22 ASN 9 2HD2 ASN 9 2.096 9.334 -6.087
56 H GLU 10 H GLU 10 -0.966 8.051 -0.900
57 HA GLU 10 HA GLU 10 0.383 8.392 1.579
58 HB2 GLU 10 2HB GLU 10 -2.324 8.458 0.663
59 HB3 GLU 10 1HB GLU 10 -2.241 7.346 2.023
60 HG2 GLU 10 2HG GLU 10 -2.773 9.513 2.854
61 HG3 GLU 10 1HG GLU 10 -1.122 9.126 3.339
62 H CYS 11 H CYS 11 -1.347 5.657 0.104
63 HA CYS 11 HA CYS 11 -0.690 3.827 2.183
64 HB2 CYS 11 2HB CYS 11 -2.461 3.250 0.650
65 HB3 CYS 11 1HB CYS 11 -1.385 3.382 -0.732
66 H HIS 12 H HIS 12 0.829 4.696 -0.838
67 HA HIS 12 HA HIS 12 2.942 2.874 -0.890
68 HB2 HIS 12 2HB HIS 12 2.054 4.652 -2.625
69 HB3 HIS 12 1HB HIS 12 3.292 5.669 -1.898
70 HD1 HIS 12 1HD HIS 12 3.147 4.371 -4.870
71 HD2 HIS 12 2HD HIS 12 5.600 3.275 -1.687
72 HE1 HIS 12 1HE HIS 12 5.147 3.220 -5.903
73 HE2 HIS 12 2HE HIS 12 6.650 2.635 -3.962
74 H ALA 13 H ALA 13 2.898 6.238 0.311
75 HA ALA 13 HA ALA 13 5.542 6.321 1.213
76 HB1 ALA 13 1HB ALA 13 4.151 8.322 0.961
77 HB2 ALA 13 2HB ALA 13 4.863 8.228 2.572
78 HB3 ALA 13 3HB ALA 13 3.166 7.807 2.332
79 H HIS 14 H HIS 14 2.545 5.422 2.910
80 HA HIS 14 HA HIS 14 3.672 4.960 5.431
81 HB2 HIS 14 2HB HIS 14 1.221 4.905 4.904
82 HB3 HIS 14 1HB HIS 14 1.461 3.333 4.159
83 HD1 HIS 14 1HD HIS 14 2.597 4.728 7.527
84 HD2 HIS 14 2HD HIS 14 0.561 1.485 5.902
85 HE1 HIS 14 1HE HIS 14 2.067 3.220 9.471
86 HE2 HIS 14 2HE HIS 14 0.787 1.292 8.473
87 H CYS 15 H CYS 15 3.128 2.691 2.772
88 HA CYS 15 HA CYS 15 4.343 0.445 3.881
89 HB2 CYS 15 2HB CYS 15 3.188 1.133 1.430
90 HB3 CYS 15 1HB CYS 15 4.828 0.641 1.029
91 H LEU 16 H LEU 16 5.685 3.114 2.084
92 HA LEU 16 HA LEU 16 8.281 2.191 1.676
93 HB2 LEU 16 2HB LEU 16 7.031 4.885 1.921
94 HB3 LEU 16 1HB LEU 16 8.774 4.765 1.896
95 HG LEU 16 HG LEU 16 6.993 3.642 -0.267
96 HD11 LEU 16 1HD1 LEU 16 7.591 5.588 -1.591
97 HD12 LEU 16 2HD1 LEU 16 8.503 6.252 -0.235
98 HD13 LEU 16 3HD1 LEU 16 6.752 6.077 -0.119
99 HD21 LEU 16 3HD2 LEU 16 9.036 3.534 -1.569
100 HD22 LEU 16 1HD2 LEU 16 9.216 2.614 -0.074
101 HD23 LEU 16 2HD2 LEU 16 9.955 4.209 -0.221
102 H SER 17 H SER 17 6.762 3.570 4.496
103 HA SER 17 HA SER 17 9.190 4.057 5.931
104 HB2 SER 17 2HB SER 17 6.511 3.711 7.244
105 HB3 SER 17 1HB SER 17 7.832 4.789 7.689
106 HG SER 17 HG SER 17 6.981 5.354 5.198
107 H ILE 18 H ILE 18 7.160 1.256 5.472
108 HA ILE 18 HA ILE 18 8.413 -0.026 7.794
109 HB ILE 18 HB ILE 18 6.775 -1.935 7.234
110 HG12 ILE 18 2HG1 ILE 18 5.437 0.348 5.767
111 HG13 ILE 18 1HG1 ILE 18 6.107 -1.097 5.015
112 HG21 ILE 18 1HG2 ILE 18 5.798 0.721 8.274
113 HG22 ILE 18 2HG2 ILE 18 6.599 -0.544 9.206
114 HG23 ILE 18 3HG2 ILE 18 4.996 -0.829 8.527
115 HD11 ILE 18 3HD1 ILE 18 4.467 -2.474 6.131
116 HD12 ILE 18 1HD1 ILE 18 3.670 -1.185 5.230
117 HD13 ILE 18 2HD1 ILE 18 3.831 -1.066 6.983
118 H GLY 19 H GLY 19 9.868 0.518 5.360
119 HA2 GLY 19 2HA GLY 19 11.700 -0.664 4.507
120 HA3 GLY 19 1HA GLY 19 10.943 -2.162 5.011
121 H ARG 20 H ARG 20 8.405 -1.386 3.622
122 HA ARG 20 HA ARG 20 8.969 -2.688 1.168
123 HB2 ARG 20 2HB ARG 20 6.496 -1.082 1.292
124 HB3 ARG 20 1HB ARG 20 6.721 -2.772 0.870
125 HG2 ARG 20 2HG ARG 20 6.803 -1.721 3.687
126 HG3 ARG 20 1HG ARG 20 5.359 -2.370 2.914
127 HD2 ARG 20 2HD ARG 20 7.110 -4.369 2.441
128 HD3 ARG 20 1HD ARG 20 7.731 -3.754 3.974
129 HE ARG 20 HE ARG 20 5.035 -4.855 3.502
130 HH11 ARG 20 1HH1 ARG 20 7.519 -3.749 5.737
131 HH12 ARG 20 2HH1 ARG 20 6.763 -4.475 7.115
132 HH21 ARG 20 1HH2 ARG 20 4.043 -5.793 5.305
133 HH22 ARG 20 2HH2 ARG 20 4.783 -5.637 6.874
134 H LYS 21 H LYS 21 9.054 -1.873 -0.942
135 HA LYS 21 HA LYS 21 9.608 0.999 -1.071
136 HB2 LYS 21 2HB LYS 21 10.586 -1.248 -2.819
137 HB3 LYS 21 1HB LYS 21 10.870 0.453 -3.166
138 HG2 LYS 21 2HG LYS 21 11.789 -1.007 -0.695
139 HG3 LYS 21 1HG LYS 21 12.796 -0.591 -2.083
140 HD2 LYS 21 2HD LYS 21 13.068 1.516 -1.380
141 HD3 LYS 21 1HD LYS 21 11.350 1.702 -1.021
142 HE2 LYS 21 2HE LYS 21 12.659 -0.062 0.868
143 HE3 LYS 21 1HE LYS 21 13.436 1.519 0.813
144 HZ1 LYS 21 3HZ LYS 21 11.309 2.558 1.246
145 HZ2 LYS 21 1HZ LYS 21 11.647 1.427 2.455
146 HZ3 LYS 21 2HZ LYS 21 10.526 1.058 1.241
147 H PHE 22 H PHE 22 7.914 -1.584 -2.698
148 HA PHE 22 HA PHE 22 6.225 0.441 -3.986
149 HB2 PHE 22 2HB PHE 22 6.749 -2.158 -5.374
150 HB3 PHE 22 1HB PHE 22 6.191 -0.639 -6.048
151 HD1 PHE 22 1HD PHE 22 7.828 1.274 -6.242
152 HD2 PHE 22 2HD PHE 22 9.029 -2.722 -5.404
153 HE1 PHE 22 1HE PHE 22 10.116 1.815 -6.963
154 HE2 PHE 22 2HE PHE 22 11.320 -2.189 -6.121
155 HZ PHE 22 HZ PHE 22 11.866 0.083 -6.902
156 H GLY 23 H GLY 23 4.093 -0.351 -4.552
157 HA2 GLY 23 2HA GLY 23 2.718 -2.533 -4.152
158 HA3 GLY 23 1HA GLY 23 3.105 -2.153 -2.479
159 H PHE 24 H PHE 24 0.494 -2.313 -3.318
160 HA PHE 24 HA PHE 24 -0.486 0.271 -2.594
161 HB2 PHE 24 2HB PHE 24 -1.921 0.591 -4.610
162 HB3 PHE 24 1HB PHE 24 -0.203 0.765 -4.947
163 HD1 PHE 24 2HD PHE 24 0.984 -0.926 -6.253
164 HD2 PHE 24 1HD PHE 24 -3.205 -1.204 -5.554
165 HE1 PHE 24 2HE PHE 24 0.794 -2.582 -8.063
166 HE2 PHE 24 1HE PHE 24 -3.401 -2.859 -7.363
167 HZ PHE 24 HZ PHE 24 -1.400 -3.550 -8.620
168 H CYS 25 H CYS 25 -3.084 0.132 -3.014
169 HA CYS 25 HA CYS 25 -3.917 -1.998 -1.342
170 HB2 CYS 25 2HB CYS 25 -5.747 -0.282 -3.010
171 HB3 CYS 25 1HB CYS 25 -6.092 -1.057 -1.467
172 H ALA 26 H ALA 26 -4.067 -4.013 -1.933
173 HA ALA 26 HA ALA 26 -5.271 -4.657 -4.539
174 HB1 ALA 26 1HB ALA 26 -2.858 -5.043 -4.658
175 HB2 ALA 26 2HB ALA 26 -3.749 -6.563 -4.743
176 HB3 ALA 26 3HB ALA 26 -2.950 -6.091 -3.242
177 H GLY 27 H GLY 27 -5.242 -7.460 -4.126
178 HA2 GLY 27 2HA GLY 27 -6.275 -9.160 -2.942
179 HA3 GLY 27 1HA GLY 27 -6.491 -8.048 -1.599
180 HA PRO 28 HA PRO 28 -10.547 -8.875 -3.948
181 HB2 PRO 28 2HB PRO 28 -11.415 -10.073 -1.406
182 HB3 PRO 28 1HB PRO 28 -11.542 -10.711 -3.047
183 HG2 PRO 28 2HG PRO 28 -9.830 -11.748 -1.253
184 HG3 PRO 28 1HG PRO 28 -9.444 -11.667 -2.983
185 HD2 PRO 28 2HD PRO 28 -8.522 -9.897 -0.749
186 HD3 PRO 28 1HD PRO 28 -7.606 -10.540 -2.129
187 H LEU 29 H LEU 29 -9.668 -7.718 -0.767
188 HA LEU 29 HA LEU 29 -12.119 -6.370 -0.223
189 HB2 LEU 29 2HB LEU 29 -9.347 -6.127 0.930
190 HB3 LEU 29 1HB LEU 29 -10.665 -5.100 1.456
191 HG LEU 29 HG LEU 29 -10.585 -6.785 3.063
192 HD11 LEU 29 1HD1 LEU 29 -12.852 -6.434 2.271
193 HD12 LEU 29 2HD1 LEU 29 -12.616 -8.111 2.762
194 HD13 LEU 29 3HD1 LEU 29 -12.636 -7.687 1.050
195 HD21 LEU 29 3HD2 LEU 29 -10.305 -8.798 0.836
196 HD22 LEU 29 1HD2 LEU 29 -10.421 -9.178 2.555
197 HD23 LEU 29 2HD2 LEU 29 -9.034 -8.276 1.943
198 H ARG 30 H ARG 30 -9.263 -5.637 -2.004
199 HA ARG 30 HA ARG 30 -8.720 -3.997 -3.454
200 HB2 ARG 30 2HB ARG 30 -11.560 -3.119 -2.976
201 HB3 ARG 30 1HB ARG 30 -10.480 -2.311 -4.103
202 HG2 ARG 30 2HG ARG 30 -11.452 -5.156 -4.239
203 HG3 ARG 30 1HG ARG 30 -11.867 -3.827 -5.322
204 HD2 ARG 30 2HD ARG 30 -9.144 -5.082 -4.987
205 HD3 ARG 30 1HD ARG 30 -10.230 -5.294 -6.359
206 HE ARG 30 HE ARG 30 -9.880 -2.937 -6.874
207 HH11 ARG 30 1HH1 ARG 30 -7.625 -4.460 -4.686
208 HH12 ARG 30 2HH1 ARG 30 -6.365 -3.292 -4.949
209 HH21 ARG 30 1HH2 ARG 30 -8.206 -1.400 -7.253
210 HH22 ARG 30 2HH2 ARG 30 -6.694 -1.565 -6.421
211 H ALA 31 H ALA 31 -10.054 -3.039 -0.383
212 HA ALA 31 HA ALA 31 -8.670 -0.467 -0.489
213 HB1 ALA 31 1HB ALA 31 -10.480 -1.624 1.629
214 HB2 ALA 31 2HB ALA 31 -10.965 -0.514 0.347
215 HB3 ALA 31 3HB ALA 31 -9.840 0.019 1.597
216 H THR 32 H THR 32 -7.844 -3.535 0.228
217 HA THR 32 HA THR 32 -6.306 -3.023 2.634
218 HB THR 32 HB THR 32 -5.537 -5.485 1.944
219 HG1 THR 32 1HG THR 32 -6.643 -5.531 -0.036
220 HG21 THR 32 3HG2 THR 32 -7.414 -6.354 3.272
221 HG22 THR 32 1HG2 THR 32 -8.246 -4.809 3.101
222 HG23 THR 32 2HG2 THR 32 -6.730 -4.899 3.998
223 H CYS 33 H CYS 33 -4.316 -2.141 2.504
224 HA CYS 33 HA CYS 33 -2.901 -1.899 0.058
225 HB2 CYS 33 2HB CYS 33 -2.149 -1.378 2.914
226 HB3 CYS 33 1HB CYS 33 -0.973 -1.222 1.624
227 H THR 34 H THR 34 -1.326 -3.067 -0.800
228 HA THR 34 HA THR 34 -0.147 -5.287 0.705
229 HB THR 34 HB THR 34 -1.001 -5.789 -2.121
230 HG1 THR 34 1HG THR 34 -2.663 -5.542 0.101
231 HG21 THR 34 3HG2 THR 34 0.485 -7.378 -0.992
232 HG22 THR 34 1HG2 THR 34 -1.084 -8.106 -1.333
233 HG23 THR 34 2HG2 THR 34 -0.699 -7.568 0.301
234 H CYS 35 H CYS 35 1.999 -5.221 0.468
235 HA CYS 35 HA CYS 35 3.057 -3.847 -1.901
236 HB2 CYS 35 2HB CYS 35 3.951 -3.872 0.957
237 HB3 CYS 35 1HB CYS 35 5.113 -3.540 -0.326
238 H GLY 36 H GLY 36 5.419 -4.487 -2.336
239 HA2 GLY 36 2HA GLY 36 5.472 -7.145 -3.209
240 HA3 GLY 36 1HA GLY 36 6.865 -6.083 -3.110
241 H LYS 37 H LYS 37 6.429 -5.787 -0.188
242 HA LYS 37 HA LYS 37 7.508 -8.399 0.627
243 HB2 LYS 37 2HB LYS 37 8.222 -5.620 1.572
244 HB3 LYS 37 1HB LYS 37 8.688 -7.071 2.447
245 HG2 LYS 37 2HG LYS 37 9.827 -7.834 0.326
246 HG3 LYS 37 1HG LYS 37 9.554 -6.205 -0.295
247 HD2 LYS 37 2HD LYS 37 11.784 -6.378 0.648
248 HD3 LYS 37 1HD LYS 37 10.796 -5.286 1.620
249 HE2 LYS 37 2HE LYS 37 12.149 -6.792 3.010
250 HE3 LYS 37 1HE LYS 37 10.420 -7.035 3.256
251 HZ1 LYS 37 3HZ LYS 37 12.210 -8.733 1.600
252 HZ2 LYS 37 1HZ LYS 37 10.539 -8.951 1.758
253 HZ3 LYS 37 2HZ LYS 37 11.547 -9.144 3.101
254 H GLN 38 H GLN 38 4.773 -7.732 0.546
255 HA GLN 38 HA GLN 38 2.882 -7.978 1.757
256 HB2 GLN 38 2HB GLN 38 4.843 -8.755 3.919
257 HB3 GLN 38 1HB GLN 38 3.100 -8.789 4.147
258 HG2 GLN 38 2HG GLN 38 2.885 -10.407 2.338
259 HG3 GLN 38 1HG GLN 38 4.630 -10.365 2.090
260 HE21 GLN 38 1HE2 GLN 38 2.066 -11.356 4.227
261 HE22 GLN 38 2HE2 GLN 38 3.003 -12.469 5.157
Start of MODEL 8
1 H1 GLY 1 1HT GLY 1 -10.245 2.747 -0.668
2 H2 GLY 1 2HT GLY 1 -10.054 1.242 -1.417
3 H3 GLY 1 3HT GLY 1 -8.893 2.456 -1.646
4 HA2 GLY 1 1HA GLY 1 -9.485 1.027 0.884
5 HA3 GLY 1 2HA GLY 1 -8.039 0.851 -0.104
6 H PHE 2 H PHE 2 -6.642 1.511 1.525
7 HA PHE 2 HA PHE 2 -6.994 3.899 3.009
8 HB2 PHE 2 2HB PHE 2 -4.568 2.182 2.471
9 HB3 PHE 2 1HB PHE 2 -4.525 3.598 3.518
10 HD1 PHE 2 2HD PHE 2 -5.835 0.191 3.121
11 HD2 PHE 2 1HD PHE 2 -5.508 3.565 5.695
12 HE1 PHE 2 2HE PHE 2 -6.602 -1.182 5.014
13 HE2 PHE 2 1HE PHE 2 -6.273 2.198 7.591
14 HZ PHE 2 HZ PHE 2 -6.824 -0.178 7.251
15 H GLY 3 H GLY 3 -4.609 3.156 0.456
16 HA2 GLY 3 2HA GLY 3 -4.372 6.029 -0.056
17 HA3 GLY 3 1HA GLY 3 -3.273 4.783 -0.632
18 H CYS 4 H CYS 4 -4.394 3.141 -2.125
19 HA CYS 4 HA CYS 4 -5.315 4.547 -4.405
20 HB2 CYS 4 2HB CYS 4 -5.887 1.743 -4.582
21 HB3 CYS 4 1HB CYS 4 -4.621 2.663 -5.392
22 HA PRO 5 HA PRO 5 -6.319 4.405 -6.081
23 HB2 PRO 5 2HB PRO 5 -8.513 5.474 -7.419
24 HB3 PRO 5 1HB PRO 5 -7.926 3.818 -7.567
25 HG2 PRO 5 2HG PRO 5 -10.391 4.668 -6.460
26 HG3 PRO 5 1HG PRO 5 -9.719 3.031 -6.436
27 HD2 PRO 5 2HD PRO 5 -9.701 5.118 -4.319
28 HD3 PRO 5 1HD PRO 5 -9.709 3.347 -4.166
29 H PHE 6 H PHE 6 -7.660 6.187 -3.720
30 HA PHE 6 HA PHE 6 -7.954 8.766 -4.767
31 HB2 PHE 6 2HB PHE 6 -8.777 8.073 -2.541
32 HB3 PHE 6 1HB PHE 6 -7.115 7.981 -1.969
33 HD1 PHE 6 2HD PHE 6 -9.467 10.386 -3.574
34 HD2 PHE 6 1HD PHE 6 -6.216 9.805 -0.890
35 HE1 PHE 6 2HE PHE 6 -9.556 12.766 -2.958
36 HE2 PHE 6 1HE PHE 6 -6.300 12.184 -0.268
37 HZ PHE 6 HZ PHE 6 -7.971 13.667 -1.303
38 H ASN 7 H ASN 7 -5.201 7.607 -2.780
39 HA ASN 7 HA ASN 7 -3.467 9.237 -4.489
40 HB2 ASN 7 2HB ASN 7 -4.058 10.531 -2.437
41 HB3 ASN 7 1HB ASN 7 -3.280 9.276 -1.475
42 HD21 ASN 7 1HD2 ASN 7 -2.030 11.204 -0.780
43 HD22 ASN 7 2HD2 ASN 7 -0.623 11.613 -1.716
44 H GLU 8 H GLU 8 -2.288 7.752 -5.435
45 HA GLU 8 HA GLU 8 -1.455 5.300 -4.353
46 HB2 GLU 8 2HB GLU 8 -1.472 6.045 -6.814
47 HB3 GLU 8 1HB GLU 8 0.053 6.844 -6.466
48 HG2 GLU 8 2HG GLU 8 -0.313 3.932 -5.888
49 HG3 GLU 8 1HG GLU 8 0.068 4.489 -7.514
50 H ASN 9 H ASN 9 0.068 8.466 -4.561
51 HA ASN 9 HA ASN 9 2.577 7.866 -3.525
52 HB2 ASN 9 2HB ASN 9 0.918 10.385 -3.289
53 HB3 ASN 9 1HB ASN 9 2.603 10.277 -2.795
54 HD21 ASN 9 1HD2 ASN 9 4.199 10.094 -4.374
55 HD22 ASN 9 2HD2 ASN 9 3.888 10.425 -6.038
56 H GLU 10 H GLU 10 -0.461 8.497 -1.844
57 HA GLU 10 HA GLU 10 0.693 8.612 0.760
58 HB2 GLU 10 2HB GLU 10 -1.873 8.975 -0.351
59 HB3 GLU 10 1HB GLU 10 -2.028 7.679 0.827
60 HG2 GLU 10 2HG GLU 10 -1.463 9.030 2.596
61 HG3 GLU 10 1HG GLU 10 -0.580 10.171 1.582
62 H CYS 11 H CYS 11 -0.999 6.031 -1.031
63 HA CYS 11 HA CYS 11 -0.672 4.056 0.977
64 HB2 CYS 11 2HB CYS 11 -2.219 3.811 -0.945
65 HB3 CYS 11 1HB CYS 11 -0.841 3.698 -2.031
66 H HIS 12 H HIS 12 1.282 5.060 -1.745
67 HA HIS 12 HA HIS 12 3.345 3.170 -1.541
68 HB2 HIS 12 2HB HIS 12 2.733 5.028 -3.348
69 HB3 HIS 12 1HB HIS 12 3.916 5.963 -2.437
70 HD1 HIS 12 1HD HIS 12 3.776 4.072 -5.346
71 HD2 HIS 12 2HD HIS 12 6.345 4.063 -2.082
72 HE1 HIS 12 1HE HIS 12 5.939 3.064 -6.174
73 HE2 HIS 12 2HE HIS 12 7.394 2.876 -4.122
74 H ALA 13 H ALA 13 3.011 6.456 -0.217
75 HA ALA 13 HA ALA 13 5.479 6.591 1.102
76 HB1 ALA 13 1HB ALA 13 4.511 8.385 2.426
77 HB2 ALA 13 2HB ALA 13 2.889 7.913 1.919
78 HB3 ALA 13 3HB ALA 13 4.034 8.548 0.736
79 H HIS 14 H HIS 14 2.311 5.415 2.183
80 HA HIS 14 HA HIS 14 2.909 4.840 4.834
81 HB2 HIS 14 2HB HIS 14 0.655 4.514 4.050
82 HB3 HIS 14 1HB HIS 14 1.173 3.317 2.876
83 HD1 HIS 14 1HD HIS 14 1.266 3.688 6.677
84 HD2 HIS 14 2HD HIS 14 0.785 0.786 3.738
85 HE1 HIS 14 1HE HIS 14 0.883 1.529 7.912
86 HE2 HIS 14 2HE HIS 14 0.760 -0.231 6.114
87 H CYS 15 H CYS 15 3.119 2.644 2.060
88 HA CYS 15 HA CYS 15 4.478 0.580 3.386
89 HB2 CYS 15 2HB CYS 15 4.128 1.356 0.533
90 HB3 CYS 15 1HB CYS 15 5.355 0.152 0.915
91 H LEU 16 H LEU 16 5.675 3.435 1.796
92 HA LEU 16 HA LEU 16 8.424 2.827 1.795
93 HB2 LEU 16 2HB LEU 16 6.743 5.026 1.126
94 HB3 LEU 16 1HB LEU 16 8.018 5.628 2.163
95 HG LEU 16 HG LEU 16 9.711 5.016 0.629
96 HD11 LEU 16 1HD1 LEU 16 9.260 3.718 -1.409
97 HD12 LEU 16 2HD1 LEU 16 7.602 3.468 -0.863
98 HD13 LEU 16 3HD1 LEU 16 8.945 2.794 0.058
99 HD21 LEU 16 3HD2 LEU 16 8.384 7.003 0.000
100 HD22 LEU 16 1HD2 LEU 16 7.380 5.977 -1.026
101 HD23 LEU 16 2HD2 LEU 16 9.093 6.185 -1.393
102 H SER 17 H SER 17 6.265 3.919 4.279
103 HA SER 17 HA SER 17 8.299 4.947 6.021
104 HB2 SER 17 2HB SER 17 5.465 4.148 6.709
105 HB3 SER 17 1HB SER 17 6.523 5.203 7.645
106 HG SER 17 HG SER 17 5.960 5.859 4.974
107 H ILE 18 H ILE 18 7.219 1.789 5.255
108 HA ILE 18 HA ILE 18 8.278 0.831 7.827
109 HB ILE 18 HB ILE 18 7.174 -1.412 6.976
110 HG12 ILE 18 2HG1 ILE 18 5.511 0.726 5.625
111 HG13 ILE 18 1HG1 ILE 18 6.424 -0.542 4.816
112 HG21 ILE 18 1HG2 ILE 18 6.644 -0.271 9.056
113 HG22 ILE 18 2HG2 ILE 18 5.170 -0.831 8.265
114 HG23 ILE 18 3HG2 ILE 18 5.619 0.873 8.188
115 HD11 ILE 18 3HD1 ILE 18 4.040 -1.040 4.891
116 HD12 ILE 18 1HD1 ILE 18 4.078 -0.972 6.651
117 HD13 ILE 18 2HD1 ILE 18 4.976 -2.229 5.799
118 H GLY 19 H GLY 19 9.708 1.643 5.322
119 HA2 GLY 19 2HA GLY 19 11.892 0.961 4.757
120 HA3 GLY 19 1HA GLY 19 11.513 -0.656 5.319
121 H ARG 20 H ARG 20 9.058 -0.842 3.786
122 HA ARG 20 HA ARG 20 10.076 -2.038 1.460
123 HB2 ARG 20 2HB ARG 20 7.266 -1.170 2.156
124 HB3 ARG 20 1HB ARG 20 7.668 -2.115 0.731
125 HG2 ARG 20 2HG ARG 20 6.994 -3.736 2.219
126 HG3 ARG 20 1HG ARG 20 8.745 -3.756 2.423
127 HD2 ARG 20 2HD ARG 20 8.650 -2.760 4.495
128 HD3 ARG 20 1HD ARG 20 7.109 -1.973 4.165
129 HE ARG 20 HE ARG 20 6.299 -4.484 4.230
130 HH11 ARG 20 1HH1 ARG 20 8.568 -2.847 6.367
131 HH12 ARG 20 2HH1 ARG 20 8.202 -3.867 7.721
132 HH21 ARG 20 1HH2 ARG 20 5.806 -5.800 6.008
133 HH22 ARG 20 2HH2 ARG 20 6.635 -5.547 7.519
134 H LYS 21 H LYS 21 10.121 -1.389 -0.693
135 HA LYS 21 HA LYS 21 10.141 1.497 -1.053
136 HB2 LYS 21 2HB LYS 21 11.150 -0.705 -2.854
137 HB3 LYS 21 1HB LYS 21 11.300 1.014 -3.189
138 HG2 LYS 21 2HG LYS 21 12.603 -0.551 -0.979
139 HG3 LYS 21 1HG LYS 21 13.380 0.291 -2.321
140 HD2 LYS 21 2HD LYS 21 12.967 2.393 -1.401
141 HD3 LYS 21 1HD LYS 21 11.685 1.788 -0.351
142 HE2 LYS 21 2HE LYS 21 13.616 0.388 0.714
143 HE3 LYS 21 1HE LYS 21 14.651 1.611 -0.027
144 HZ1 LYS 21 3HZ LYS 21 14.113 2.239 2.216
145 HZ2 LYS 21 1HZ LYS 21 12.455 2.097 1.913
146 HZ3 LYS 21 2HZ LYS 21 13.353 3.313 1.153
147 H PHE 22 H PHE 22 8.203 -1.185 -1.853
148 HA PHE 22 HA PHE 22 6.478 0.580 -3.419
149 HB2 PHE 22 2HB PHE 22 6.778 -2.267 -4.302
150 HB3 PHE 22 1HB PHE 22 6.131 -0.900 -5.188
151 HD1 PHE 22 2HD PHE 22 7.666 0.817 -6.112
152 HD2 PHE 22 1HD PHE 22 9.087 -2.819 -4.416
153 HE1 PHE 22 2HE PHE 22 9.828 1.142 -7.236
154 HE2 PHE 22 1HE PHE 22 11.253 -2.499 -5.540
155 HZ PHE 22 HZ PHE 22 11.625 -0.517 -6.952
156 H GLY 23 H GLY 23 4.295 -0.171 -3.566
157 HA2 GLY 23 2HA GLY 23 3.166 -2.344 -2.309
158 HA3 GLY 23 1HA GLY 23 3.337 -1.119 -1.059
159 H PHE 24 H PHE 24 0.942 -2.310 -2.353
160 HA PHE 24 HA PHE 24 -0.473 0.174 -2.775
161 HB2 PHE 24 2HB PHE 24 -1.516 -0.633 -4.911
162 HB3 PHE 24 1HB PHE 24 0.185 -0.208 -5.053
163 HD1 PHE 24 1HD PHE 24 -2.245 -2.947 -5.080
164 HD2 PHE 24 2HD PHE 24 1.861 -1.894 -5.466
165 HE1 PHE 24 1HE PHE 24 -1.768 -5.164 -6.035
166 HE2 PHE 24 2HE PHE 24 2.344 -4.108 -6.423
167 HZ PHE 24 HZ PHE 24 0.528 -5.746 -6.709
168 H CYS 25 H CYS 25 -2.855 -0.281 -3.063
169 HA CYS 25 HA CYS 25 -3.736 -1.942 -0.965
170 HB2 CYS 25 2HB CYS 25 -5.505 -0.921 -3.177
171 HB3 CYS 25 1HB CYS 25 -5.915 -1.190 -1.487
172 H ALA 26 H ALA 26 -4.138 -4.034 -0.920
173 HA ALA 26 HA ALA 26 -4.746 -5.404 -3.455
174 HB1 ALA 26 1HB ALA 26 -3.131 -6.480 -1.147
175 HB2 ALA 26 2HB ALA 26 -2.497 -5.979 -2.714
176 HB3 ALA 26 3HB ALA 26 -3.571 -7.374 -2.602
177 H GLY 27 H GLY 27 -5.981 -7.414 -3.167
178 HA2 GLY 27 2HA GLY 27 -7.711 -8.662 -2.283
179 HA3 GLY 27 1HA GLY 27 -7.392 -7.907 -0.727
180 HA PRO 28 HA PRO 28 -10.551 -5.274 -3.496
181 HB2 PRO 28 2HB PRO 28 -12.457 -7.011 -4.456
182 HB3 PRO 28 1HB PRO 28 -11.107 -6.378 -5.403
183 HG2 PRO 28 2HG PRO 28 -11.365 -9.005 -3.990
184 HG3 PRO 28 1HG PRO 28 -10.700 -8.659 -5.599
185 HD2 PRO 28 2HD PRO 28 -9.095 -9.087 -3.502
186 HD3 PRO 28 1HD PRO 28 -8.691 -7.873 -4.735
187 H LEU 29 H LEU 29 -10.856 -7.772 -1.194
188 HA LEU 29 HA LEU 29 -13.543 -6.984 -0.400
189 HB2 LEU 29 2HB LEU 29 -11.673 -9.076 0.710
190 HB3 LEU 29 1HB LEU 29 -13.294 -8.774 1.307
191 HG LEU 29 HG LEU 29 -12.634 -9.693 -1.494
192 HD11 LEU 29 1HD1 LEU 29 -13.557 -11.840 -0.788
193 HD12 LEU 29 2HD1 LEU 29 -13.744 -11.224 0.853
194 HD13 LEU 29 3HD1 LEU 29 -12.133 -11.412 0.162
195 HD21 LEU 29 3HD2 LEU 29 -15.051 -10.093 -1.656
196 HD22 LEU 29 1HD2 LEU 29 -14.683 -8.387 -1.395
197 HD23 LEU 29 2HD2 LEU 29 -15.268 -9.378 -0.058
198 H ARG 30 H ARG 30 -10.426 -5.940 0.209
199 HA ARG 30 HA ARG 30 -11.324 -4.622 2.669
200 HB2 ARG 30 2HB ARG 30 -8.922 -6.361 2.364
201 HB3 ARG 30 1HB ARG 30 -8.806 -4.955 3.412
202 HG2 ARG 30 2HG ARG 30 -10.825 -7.178 3.667
203 HG3 ARG 30 1HG ARG 30 -9.382 -6.972 4.659
204 HD2 ARG 30 2HD ARG 30 -11.156 -6.102 5.944
205 HD3 ARG 30 1HD ARG 30 -10.318 -4.695 5.291
206 HE ARG 30 HE ARG 30 -12.541 -5.610 3.686
207 HH11 ARG 30 1HH1 ARG 30 -11.576 -3.548 6.352
208 HH12 ARG 30 2HH1 ARG 30 -12.905 -2.458 6.158
209 HH21 ARG 30 1HH2 ARG 30 -14.285 -4.179 3.421
210 HH22 ARG 30 2HH2 ARG 30 -14.457 -2.818 4.480
211 H ALA 31 H ALA 31 -9.047 -4.725 -0.002
212 HA ALA 31 HA ALA 31 -7.946 -3.128 -1.155
213 HB1 ALA 31 1HB ALA 31 -10.151 -2.077 -1.330
214 HB2 ALA 31 2HB ALA 31 -8.860 -0.878 -1.246
215 HB3 ALA 31 3HB ALA 31 -9.853 -1.207 0.175
216 H THR 32 H THR 32 -7.071 -3.964 1.449
217 HA THR 32 HA THR 32 -5.921 -1.699 2.795
218 HB THR 32 HB THR 32 -5.295 -4.645 3.125
219 HG1 THR 32 1HG THR 32 -6.774 -3.983 5.096
220 HG21 THR 32 3HG2 THR 32 -4.525 -3.999 5.358
221 HG22 THR 32 1HG2 THR 32 -4.884 -2.309 4.998
222 HG23 THR 32 2HG2 THR 32 -3.616 -3.150 4.107
223 H CYS 33 H CYS 33 -3.861 -0.905 2.546
224 HA CYS 33 HA CYS 33 -2.460 -1.519 0.178
225 HB2 CYS 33 2HB CYS 33 -1.619 0.026 2.616
226 HB3 CYS 33 1HB CYS 33 -0.590 -0.163 1.214
227 H THR 34 H THR 34 -1.161 -3.027 -0.264
228 HA THR 34 HA THR 34 0.231 -4.494 1.878
229 HB THR 34 HB THR 34 -0.481 -5.661 -0.805
230 HG1 THR 34 1HG THR 34 -2.292 -4.918 0.789
231 HG21 THR 34 3HG2 THR 34 0.183 -6.917 1.861
232 HG22 THR 34 1HG2 THR 34 1.261 -6.811 0.470
233 HG23 THR 34 2HG2 THR 34 -0.200 -7.793 0.380
234 H CYS 35 H CYS 35 2.370 -4.363 1.763
235 HA CYS 35 HA CYS 35 3.574 -2.944 -0.424
236 HB2 CYS 35 2HB CYS 35 4.964 -4.183 1.942
237 HB3 CYS 35 1HB CYS 35 5.544 -2.875 0.915
238 H GLY 36 H GLY 36 5.687 -3.748 -1.331
239 HA2 GLY 36 2HA GLY 36 5.329 -5.955 -2.929
240 HA3 GLY 36 1HA GLY 36 6.900 -5.288 -2.526
241 H LYS 37 H LYS 37 6.830 -5.888 0.258
242 HA LYS 37 HA LYS 37 6.832 -8.826 0.210
243 HB2 LYS 37 2HB LYS 37 8.960 -6.930 1.139
244 HB3 LYS 37 1HB LYS 37 8.803 -8.505 1.906
245 HG2 LYS 37 2HG LYS 37 9.128 -8.113 -1.059
246 HG3 LYS 37 1HG LYS 37 10.466 -8.405 0.054
247 HD2 LYS 37 2HD LYS 37 10.011 -10.595 0.196
248 HD3 LYS 37 1HD LYS 37 8.277 -10.312 0.358
249 HE2 LYS 37 2HE LYS 37 9.558 -9.903 -2.300
250 HE3 LYS 37 1HE LYS 37 9.274 -11.551 -1.742
251 HZ1 LYS 37 3HZ LYS 37 7.189 -9.437 -1.960
252 HZ2 LYS 37 1HZ LYS 37 6.938 -11.044 -1.490
253 HZ3 LYS 37 2HZ LYS 37 7.427 -10.693 -3.070
254 H GLN 38 H GLN 38 4.677 -7.371 1.041
255 HA GLN 38 HA GLN 38 3.180 -7.157 2.721
256 HB2 GLN 38 2HB GLN 38 4.121 -9.586 3.094
257 HB3 GLN 38 1HB GLN 38 4.861 -8.871 4.519
258 HG2 GLN 38 2HG GLN 38 2.807 -9.857 5.184
259 HG3 GLN 38 1HG GLN 38 2.598 -8.108 5.225
260 HE21 GLN 38 1HE2 GLN 38 0.396 -8.169 5.007
261 HE22 GLN 38 2HE2 GLN 38 -0.394 -8.645 3.547
Start of MODEL 9
1 H1 GLY 1 1HT GLY 1 -8.655 2.577 -3.550
2 H2 GLY 1 2HT GLY 1 -10.263 2.369 -3.066
3 H3 GLY 1 3HT GLY 1 -9.483 1.151 -3.946
4 HA2 GLY 1 1HA GLY 1 -9.628 0.541 -1.620
5 HA3 GLY 1 2HA GLY 1 -7.954 0.767 -2.118
6 H PHE 2 H PHE 2 -7.655 1.033 0.253
7 HA PHE 2 HA PHE 2 -8.712 3.228 1.664
8 HB2 PHE 2 2HB PHE 2 -7.663 1.362 2.821
9 HB3 PHE 2 1HB PHE 2 -6.121 1.705 2.045
10 HD1 PHE 2 2HD PHE 2 -8.647 3.242 4.306
11 HD2 PHE 2 1HD PHE 2 -4.562 3.023 3.128
12 HE1 PHE 2 2HE PHE 2 -8.027 4.693 6.195
13 HE2 PHE 2 1HE PHE 2 -3.936 4.472 5.015
14 HZ PHE 2 HZ PHE 2 -5.669 5.311 6.550
15 H GLY 3 H GLY 3 -5.811 2.848 -0.300
16 HA2 GLY 3 2HA GLY 3 -5.287 5.728 -0.003
17 HA3 GLY 3 1HA GLY 3 -4.091 4.530 -0.480
18 H CYS 4 H CYS 4 -4.633 3.350 -2.554
19 HA CYS 4 HA CYS 4 -4.755 5.178 -4.657
20 HB2 CYS 4 2HB CYS 4 -5.479 2.632 -5.657
21 HB3 CYS 4 1HB CYS 4 -3.877 3.369 -5.647
22 HA PRO 5 HA PRO 5 -5.159 5.706 -6.362
23 HB2 PRO 5 2HB PRO 5 -6.582 7.203 -8.133
24 HB3 PRO 5 1HB PRO 5 -6.274 5.479 -8.341
25 HG2 PRO 5 2HG PRO 5 -8.783 6.819 -7.813
26 HG3 PRO 5 1HG PRO 5 -8.499 5.109 -8.169
27 HD2 PRO 5 2HD PRO 5 -8.901 6.438 -5.574
28 HD3 PRO 5 1HD PRO 5 -9.067 4.722 -6.001
29 H PHE 6 H PHE 6 -7.221 7.140 -4.268
30 HA PHE 6 HA PHE 6 -6.890 9.903 -4.825
31 HB2 PHE 6 2HB PHE 6 -7.561 8.609 -2.177
32 HB3 PHE 6 1HB PHE 6 -7.858 10.283 -2.635
33 HD1 PHE 6 2HD PHE 6 -9.371 10.635 -4.722
34 HD2 PHE 6 1HD PHE 6 -9.234 7.047 -2.438
35 HE1 PHE 6 2HE PHE 6 -11.587 10.006 -5.585
36 HE2 PHE 6 1HE PHE 6 -11.450 6.411 -3.296
37 HZ PHE 6 HZ PHE 6 -12.630 7.891 -4.872
38 H ASN 7 H ASN 7 -5.447 7.867 -2.275
39 HA ASN 7 HA ASN 7 -3.117 9.659 -2.316
40 HB2 ASN 7 2HB ASN 7 -2.952 9.436 0.168
41 HB3 ASN 7 1HB ASN 7 -4.365 10.334 -0.367
42 HD21 ASN 7 1HD2 ASN 7 -3.842 8.929 2.150
43 HD22 ASN 7 2HD2 ASN 7 -5.132 7.775 2.305
44 H GLU 8 H GLU 8 -3.201 7.364 -3.742
45 HA GLU 8 HA GLU 8 -2.333 5.037 -2.455
46 HB2 GLU 8 2HB GLU 8 -1.206 4.613 -4.767
47 HB3 GLU 8 1HB GLU 8 -2.958 4.672 -4.647
48 HG2 GLU 8 2HG GLU 8 -2.833 7.073 -5.341
49 HG3 GLU 8 1HG GLU 8 -1.118 6.816 -5.665
50 H ASN 9 H ASN 9 -0.517 7.781 -3.734
51 HA ASN 9 HA ASN 9 2.051 6.705 -3.276
52 HB2 ASN 9 2HB ASN 9 0.954 9.405 -3.861
53 HB3 ASN 9 1HB ASN 9 2.569 9.331 -3.161
54 HD21 ASN 9 1HD2 ASN 9 1.574 10.071 -5.880
55 HD22 ASN 9 2HD2 ASN 9 2.483 9.082 -6.964
56 H GLU 10 H GLU 10 -0.247 8.237 -1.172
57 HA GLU 10 HA GLU 10 1.638 8.811 0.921
58 HB2 GLU 10 2HB GLU 10 -0.516 10.040 0.654
59 HB3 GLU 10 1HB GLU 10 -1.377 8.563 1.061
60 HG2 GLU 10 2HG GLU 10 -0.310 8.568 3.270
61 HG3 GLU 10 1HG GLU 10 0.507 10.075 2.857
62 H CYS 11 H CYS 11 -0.768 6.283 0.281
63 HA CYS 11 HA CYS 11 -0.158 4.774 2.602
64 HB2 CYS 11 2HB CYS 11 -2.136 4.599 0.804
65 HB3 CYS 11 1HB CYS 11 -1.068 3.376 0.124
66 H HIS 12 H HIS 12 1.186 5.029 -0.589
67 HA HIS 12 HA HIS 12 2.941 2.801 -0.480
68 HB2 HIS 12 2HB HIS 12 2.254 4.084 -2.563
69 HB3 HIS 12 1HB HIS 12 3.337 5.368 -2.044
70 HD1 HIS 12 1HD HIS 12 3.505 3.438 -4.661
71 HD2 HIS 12 2HD HIS 12 5.888 3.347 -1.259
72 HE1 HIS 12 1HE HIS 12 5.661 2.346 -5.370
73 HE2 HIS 12 2HE HIS 12 7.037 2.186 -3.263
74 H ALA 13 H ALA 13 3.276 6.258 0.258
75 HA ALA 13 HA ALA 13 5.971 6.245 1.030
76 HB1 ALA 13 1HB ALA 13 4.724 8.315 0.635
77 HB2 ALA 13 2HB ALA 13 5.459 8.316 2.239
78 HB3 ALA 13 3HB ALA 13 3.733 7.996 2.059
79 H HIS 14 H HIS 14 2.982 5.628 2.788
80 HA HIS 14 HA HIS 14 4.011 5.274 5.356
81 HB2 HIS 14 2HB HIS 14 1.602 5.243 4.894
82 HB3 HIS 14 1HB HIS 14 1.772 3.732 4.020
83 HD1 HIS 14 1HD HIS 14 2.955 4.786 7.493
84 HD2 HIS 14 2HD HIS 14 0.797 1.777 5.602
85 HE1 HIS 14 1HE HIS 14 2.379 3.132 9.298
86 HE2 HIS 14 2HE HIS 14 1.186 1.261 8.105
87 H CYS 15 H CYS 15 3.488 2.850 2.817
88 HA CYS 15 HA CYS 15 4.645 0.659 4.074
89 HB2 CYS 15 2HB CYS 15 4.455 1.428 1.171
90 HB3 CYS 15 1HB CYS 15 5.279 -0.049 1.656
91 H LEU 16 H LEU 16 6.137 3.219 2.227
92 HA LEU 16 HA LEU 16 8.760 2.257 2.130
93 HB2 LEU 16 2HB LEU 16 7.527 4.979 2.040
94 HB3 LEU 16 1HB LEU 16 9.267 4.817 2.104
95 HG LEU 16 HG LEU 16 7.546 3.534 -0.018
96 HD11 LEU 16 1HD1 LEU 16 7.345 5.959 -0.144
97 HD12 LEU 16 2HD1 LEU 16 8.283 5.327 -1.497
98 HD13 LEU 16 3HD1 LEU 16 9.103 6.112 -0.146
99 HD21 LEU 16 3HD2 LEU 16 9.719 2.468 0.348
100 HD22 LEU 16 1HD2 LEU 16 10.518 4.024 0.121
101 HD23 LEU 16 2HD2 LEU 16 9.647 3.277 -1.219
102 H SER 17 H SER 17 7.003 3.937 4.645
103 HA SER 17 HA SER 17 9.232 4.616 6.262
104 HB2 SER 17 2HB SER 17 6.499 4.104 7.397
105 HB3 SER 17 1HB SER 17 7.682 5.324 7.862
106 HG SER 17 HG SER 17 7.075 5.763 5.329
107 H ILE 18 H ILE 18 7.564 1.634 5.740
108 HA ILE 18 HA ILE 18 8.785 0.523 8.171
109 HB ILE 18 HB ILE 18 7.240 -1.520 7.321
110 HG12 ILE 18 2HG1 ILE 18 5.664 0.974 6.648
111 HG13 ILE 18 1HG1 ILE 18 6.316 -0.147 5.458
112 HG21 ILE 18 1HG2 ILE 18 6.309 0.781 9.036
113 HG22 ILE 18 2HG2 ILE 18 7.330 -0.555 9.571
114 HG23 ILE 18 3HG2 ILE 18 5.670 -0.863 9.060
115 HD11 ILE 18 3HD1 ILE 18 3.949 -0.530 5.846
116 HD12 ILE 18 1HD1 ILE 18 4.264 -0.806 7.559
117 HD13 ILE 18 2HD1 ILE 18 4.906 -1.921 6.353
118 H GLY 19 H GLY 19 10.031 1.102 5.500
119 HA2 GLY 19 2HA GLY 19 11.860 0.133 4.463
120 HA3 GLY 19 1HA GLY 19 11.571 -1.330 5.386
121 H ARG 20 H ARG 20 8.787 -0.286 3.758
122 HA ARG 20 HA ARG 20 9.168 -2.438 1.808
123 HB2 ARG 20 2HB ARG 20 6.602 -0.932 2.075
124 HB3 ARG 20 1HB ARG 20 6.867 -2.616 1.652
125 HG2 ARG 20 2HG ARG 20 7.212 -1.442 4.404
126 HG3 ARG 20 1HG ARG 20 5.805 -2.345 3.845
127 HD2 ARG 20 2HD ARG 20 7.835 -4.051 3.232
128 HD3 ARG 20 1HD ARG 20 8.445 -3.291 4.701
129 HE ARG 20 HE ARG 20 5.935 -4.829 4.458
130 HH11 ARG 20 1HH1 ARG 20 8.363 -3.274 6.470
131 HH12 ARG 20 2HH1 ARG 20 7.874 -4.117 7.904
132 HH21 ARG 20 1HH2 ARG 20 5.293 -5.926 6.322
133 HH22 ARG 20 2HH2 ARG 20 6.118 -5.624 7.825
134 H LYS 21 H LYS 21 9.908 -1.912 -0.112
135 HA LYS 21 HA LYS 21 10.162 0.753 -1.008
136 HB2 LYS 21 2HB LYS 21 11.636 -1.246 -1.590
137 HB3 LYS 21 1HB LYS 21 10.403 -1.669 -2.770
138 HG2 LYS 21 2HG LYS 21 12.219 -0.448 -3.815
139 HG3 LYS 21 1HG LYS 21 10.723 0.487 -3.880
140 HD2 LYS 21 2HD LYS 21 11.480 1.755 -1.892
141 HD3 LYS 21 1HD LYS 21 13.005 0.869 -1.940
142 HE2 LYS 21 2HE LYS 21 13.487 1.772 -4.142
143 HE3 LYS 21 1HE LYS 21 11.932 2.602 -4.163
144 HZ1 LYS 21 3HZ LYS 21 14.162 3.125 -2.271
145 HZ2 LYS 21 1HZ LYS 21 12.660 3.903 -2.246
146 HZ3 LYS 21 2HZ LYS 21 13.700 4.115 -3.563
147 H PHE 22 H PHE 22 7.812 -1.711 -1.646
148 HA PHE 22 HA PHE 22 6.372 0.192 -3.369
149 HB2 PHE 22 2HB PHE 22 6.173 -2.818 -3.563
150 HB3 PHE 22 1HB PHE 22 5.467 -1.632 -4.653
151 HD1 PHE 22 1HD PHE 22 7.087 -0.119 -5.945
152 HD2 PHE 22 2HD PHE 22 8.260 -3.725 -4.014
153 HE1 PHE 22 1HE PHE 22 9.093 -0.222 -7.364
154 HE2 PHE 22 2HE PHE 22 10.269 -3.834 -5.430
155 HZ PHE 22 HZ PHE 22 10.687 -2.081 -7.108
156 H GLY 23 H GLY 23 3.945 -0.507 -3.476
157 HA2 GLY 23 2HA GLY 23 2.598 -1.858 -1.534
158 HA3 GLY 23 1HA GLY 23 2.969 -0.311 -0.783
159 H PHE 24 H PHE 24 0.585 -1.890 -2.167
160 HA PHE 24 HA PHE 24 -0.804 0.531 -2.930
161 HB2 PHE 24 2HB PHE 24 -1.554 -0.383 -5.112
162 HB3 PHE 24 1HB PHE 24 0.177 -0.072 -5.072
163 HD1 PHE 24 1HD PHE 24 1.771 -1.945 -4.978
164 HD2 PHE 24 2HD PHE 24 -2.417 -2.593 -5.378
165 HE1 PHE 24 1HE PHE 24 2.202 -4.253 -5.712
166 HE2 PHE 24 2HE PHE 24 -1.993 -4.903 -6.109
167 HZ PHE 24 HZ PHE 24 0.319 -5.735 -6.277
168 H CYS 25 H CYS 25 -3.113 0.192 -3.088
169 HA CYS 25 HA CYS 25 -4.019 -1.698 -1.157
170 HB2 CYS 25 2HB CYS 25 -6.284 -0.801 -1.708
171 HB3 CYS 25 1HB CYS 25 -5.118 0.434 -1.256
172 H ALA 26 H ALA 26 -4.840 -3.655 -1.397
173 HA ALA 26 HA ALA 26 -5.804 -4.505 -4.020
174 HB1 ALA 26 1HB ALA 26 -3.560 -5.964 -2.630
175 HB2 ALA 26 2HB ALA 26 -3.396 -4.978 -4.083
176 HB3 ALA 26 3HB ALA 26 -4.359 -6.456 -4.124
177 H GLY 27 H GLY 27 -7.489 -5.842 -3.854
178 HA2 GLY 27 2HA GLY 27 -8.169 -7.971 -2.577
179 HA3 GLY 27 1HA GLY 27 -8.121 -6.898 -1.184
180 HA PRO 28 HA PRO 28 -12.030 -6.320 -4.136
181 HB2 PRO 28 2HB PRO 28 -13.483 -8.615 -3.630
182 HB3 PRO 28 1HB PRO 28 -12.526 -8.333 -5.086
183 HG2 PRO 28 2HG PRO 28 -11.829 -9.881 -2.627
184 HG3 PRO 28 1HG PRO 28 -11.485 -10.258 -4.325
185 HD2 PRO 28 2HD PRO 28 -9.599 -9.262 -2.691
186 HD3 PRO 28 1HD PRO 28 -9.673 -8.816 -4.408
187 H LEU 29 H LEU 29 -11.882 -8.189 -1.123
188 HA LEU 29 HA LEU 29 -13.944 -6.414 0.002
189 HB2 LEU 29 2HB LEU 29 -13.194 -9.234 0.793
190 HB3 LEU 29 1HB LEU 29 -14.359 -8.237 1.642
191 HG LEU 29 HG LEU 29 -14.632 -9.168 -1.219
192 HD11 LEU 29 1HD1 LEU 29 -14.829 -11.011 0.362
193 HD12 LEU 29 2HD1 LEU 29 -16.393 -10.623 -0.357
194 HD13 LEU 29 3HD1 LEU 29 -16.024 -10.101 1.287
195 HD21 LEU 29 3HD2 LEU 29 -16.561 -7.705 0.580
196 HD22 LEU 29 1HD2 LEU 29 -16.915 -8.312 -1.037
197 HD23 LEU 29 2HD2 LEU 29 -15.727 -7.027 -0.817
198 H ARG 30 H ARG 30 -11.023 -6.048 -0.240
199 HA ARG 30 HA ARG 30 -10.528 -5.224 2.485
200 HB2 ARG 30 2HB ARG 30 -9.669 -7.641 2.194
201 HB3 ARG 30 1HB ARG 30 -8.436 -6.937 1.157
202 HG2 ARG 30 2HG ARG 30 -8.139 -5.350 3.276
203 HG3 ARG 30 1HG ARG 30 -8.768 -6.785 4.089
204 HD2 ARG 30 2HD ARG 30 -6.336 -6.826 4.027
205 HD3 ARG 30 1HD ARG 30 -7.008 -8.137 3.057
206 HE ARG 30 HE ARG 30 -6.633 -6.436 1.135
207 HH11 ARG 30 1HH1 ARG 30 -4.551 -6.868 3.917
208 HH12 ARG 30 2HH1 ARG 30 -3.113 -6.401 3.071
209 HH21 ARG 30 1HH2 ARG 30 -4.767 -5.833 0.021
210 HH22 ARG 30 2HH2 ARG 30 -3.232 -5.809 0.834
211 H ALA 31 H ALA 31 -10.602 -3.168 1.590
212 HA ALA 31 HA ALA 31 -9.051 -2.385 -0.668
213 HB1 ALA 31 1HB ALA 31 -11.140 -1.278 -0.050
214 HB2 ALA 31 2HB ALA 31 -9.800 -0.135 -0.149
215 HB3 ALA 31 3HB ALA 31 -10.383 -0.676 1.425
216 H THR 32 H THR 32 -7.857 -3.338 2.135
217 HA THR 32 HA THR 32 -6.194 -1.239 3.017
218 HB THR 32 HB THR 32 -5.368 -4.095 3.320
219 HG1 THR 32 1HG THR 32 -7.376 -3.127 5.017
220 HG21 THR 32 3HG2 THR 32 -5.566 -1.771 5.242
221 HG22 THR 32 1HG2 THR 32 -4.096 -2.321 4.439
222 HG23 THR 32 2HG2 THR 32 -4.902 -3.362 5.613
223 H CYS 33 H CYS 33 -3.891 -1.058 2.807
224 HA CYS 33 HA CYS 33 -2.997 -1.564 0.109
225 HB2 CYS 33 2HB CYS 33 -1.556 -0.168 2.364
226 HB3 CYS 33 1HB CYS 33 -1.089 -0.164 0.668
227 H THR 34 H THR 34 -1.450 -2.888 -0.527
228 HA THR 34 HA THR 34 -0.233 -4.647 1.502
229 HB THR 34 HB THR 34 -0.114 -5.532 -1.299
230 HG1 THR 34 1HG THR 34 -2.151 -4.888 -1.604
231 HG21 THR 34 3HG2 THR 34 0.513 -6.955 0.594
232 HG22 THR 34 1HG2 THR 34 -0.843 -7.650 -0.294
233 HG23 THR 34 2HG2 THR 34 -1.123 -6.827 1.240
234 H CYS 35 H CYS 35 1.822 -4.088 1.866
235 HA CYS 35 HA CYS 35 3.294 -2.469 0.042
236 HB2 CYS 35 2HB CYS 35 4.320 -3.955 2.460
237 HB3 CYS 35 1HB CYS 35 5.090 -2.588 1.655
238 H GLY 36 H GLY 36 5.340 -3.018 -0.903
239 HA2 GLY 36 2HA GLY 36 5.256 -5.324 -2.493
240 HA3 GLY 36 1HA GLY 36 6.651 -4.279 -2.290
241 H LYS 37 H LYS 37 6.498 -4.901 0.670
242 HA LYS 37 HA LYS 37 7.607 -7.611 0.542
243 HB2 LYS 37 2HB LYS 37 8.842 -5.137 1.607
244 HB3 LYS 37 1HB LYS 37 9.079 -6.609 2.543
245 HG2 LYS 37 2HG LYS 37 9.673 -6.413 -0.399
246 HG3 LYS 37 1HG LYS 37 10.867 -6.095 0.861
247 HD2 LYS 37 2HD LYS 37 11.308 -8.280 0.892
248 HD3 LYS 37 1HD LYS 37 9.696 -8.535 1.560
249 HE2 LYS 37 2HE LYS 37 10.170 -8.324 -1.399
250 HE3 LYS 37 1HE LYS 37 10.354 -9.850 -0.540
251 HZ1 LYS 37 3HZ LYS 37 7.896 -8.238 -0.906
252 HZ2 LYS 37 1HZ LYS 37 8.003 -9.436 0.292
253 HZ3 LYS 37 2HZ LYS 37 8.174 -9.849 -1.341
254 H GLN 38 H GLN 38 5.003 -7.086 1.163
255 HA GLN 38 HA GLN 38 3.378 -7.560 2.657
256 HB2 GLN 38 2HB GLN 38 5.593 -8.929 4.201
257 HB3 GLN 38 1HB GLN 38 3.867 -9.198 4.399
258 HG2 GLN 38 2HG GLN 38 4.092 -10.884 2.977
259 HG3 GLN 38 1HG GLN 38 4.284 -9.669 1.714
260 HE21 GLN 38 1HE2 GLN 38 5.945 -11.832 3.880
261 HE22 GLN 38 2HE2 GLN 38 7.451 -11.850 3.034
Start of MODEL 10
1 H1 GLY 1 1HT GLY 1 -10.628 1.939 -1.194
2 H2 GLY 1 2HT GLY 1 -9.794 0.871 -2.206
3 H3 GLY 1 3HT GLY 1 -9.083 2.344 -1.756
4 HA2 GLY 1 1HA GLY 1 -9.714 0.076 0.053
5 HA3 GLY 1 2HA GLY 1 -8.109 0.540 -0.502
6 H PHE 2 H PHE 2 -7.447 0.830 1.679
7 HA PHE 2 HA PHE 2 -8.691 2.505 3.541
8 HB2 PHE 2 2HB PHE 2 -6.899 0.983 4.180
9 HB3 PHE 2 1HB PHE 2 -5.754 1.859 3.170
10 HD1 PHE 2 2HD PHE 2 -8.021 2.339 6.085
11 HD2 PHE 2 1HD PHE 2 -4.442 3.513 4.104
12 HE1 PHE 2 2HE PHE 2 -7.433 3.766 8.001
13 HE2 PHE 2 1HE PHE 2 -3.847 4.940 6.017
14 HZ PHE 2 HZ PHE 2 -5.343 5.069 7.968
15 H GLY 3 H GLY 3 -5.911 3.241 1.445
16 HA2 GLY 3 2HA GLY 3 -6.659 6.087 1.618
17 HA3 GLY 3 1HA GLY 3 -5.030 5.494 1.305
18 H CYS 4 H CYS 4 -5.208 3.757 -0.621
19 HA CYS 4 HA CYS 4 -5.384 5.133 -2.986
20 HB2 CYS 4 2HB CYS 4 -6.037 2.266 -3.141
21 HB3 CYS 4 1HB CYS 4 -4.709 3.163 -3.877
22 HA PRO 5 HA PRO 5 -5.740 5.234 -4.886
23 HB2 PRO 5 2HB PRO 5 -6.990 6.576 -6.826
24 HB3 PRO 5 1HB PRO 5 -7.006 4.811 -6.771
25 HG2 PRO 5 2HG PRO 5 -9.148 6.751 -6.068
26 HG3 PRO 5 1HG PRO 5 -9.283 5.134 -6.777
27 HD2 PRO 5 2HD PRO 5 -9.646 5.818 -4.066
28 HD3 PRO 5 1HD PRO 5 -9.496 4.182 -4.733
29 H PHE 6 H PHE 6 -8.027 7.100 -3.189
30 HA PHE 6 HA PHE 6 -7.279 9.721 -3.881
31 HB2 PHE 6 2HB PHE 6 -8.316 8.703 -1.225
32 HB3 PHE 6 1HB PHE 6 -8.296 10.386 -1.741
33 HD1 PHE 6 1HD PHE 6 -9.668 11.032 -3.771
34 HD2 PHE 6 2HD PHE 6 -10.104 7.306 -1.761
35 HE1 PHE 6 1HE PHE 6 -11.893 10.750 -4.784
36 HE2 PHE 6 2HE PHE 6 -12.328 7.017 -2.770
37 HZ PHE 6 HZ PHE 6 -13.225 8.740 -4.284
38 H ASN 7 H ASN 7 -6.375 7.905 -0.961
39 HA ASN 7 HA ASN 7 -4.019 9.611 -0.659
40 HB2 ASN 7 2HB ASN 7 -5.719 8.056 1.144
41 HB3 ASN 7 1HB ASN 7 -4.004 7.801 1.442
42 HD21 ASN 7 1HD2 ASN 7 -4.110 8.823 3.429
43 HD22 ASN 7 2HD2 ASN 7 -4.275 10.546 3.560
44 H GLU 8 H GLU 8 -3.906 7.987 -2.850
45 HA GLU 8 HA GLU 8 -2.743 5.460 -2.486
46 HB2 GLU 8 2HB GLU 8 -3.644 6.481 -4.638
47 HB3 GLU 8 1HB GLU 8 -2.129 7.365 -4.751
48 HG2 GLU 8 2HG GLU 8 -1.814 5.523 -6.123
49 HG3 GLU 8 1HG GLU 8 -0.998 5.075 -4.625
50 H ASN 9 H ASN 9 -1.304 8.657 -2.850
51 HA ASN 9 HA ASN 9 1.387 7.848 -2.767
52 HB2 ASN 9 2HB ASN 9 0.003 10.455 -2.160
53 HB3 ASN 9 1HB ASN 9 1.743 10.274 -1.960
54 HD21 ASN 9 1HD2 ASN 9 -0.746 10.965 -4.109
55 HD22 ASN 9 2HD2 ASN 9 0.169 10.920 -5.573
56 H GLU 10 H GLU 10 -0.952 8.539 -0.257
57 HA GLU 10 HA GLU 10 0.919 8.612 1.891
58 HB2 GLU 10 2HB GLU 10 -1.228 9.694 2.136
59 HB3 GLU 10 1HB GLU 10 -2.072 8.180 1.849
60 HG2 GLU 10 2HG GLU 10 -0.196 8.090 4.090
61 HG3 GLU 10 1HG GLU 10 -1.515 9.241 4.293
62 H CYS 11 H CYS 11 -1.373 6.127 0.737
63 HA CYS 11 HA CYS 11 -0.649 4.124 2.552
64 HB2 CYS 11 2HB CYS 11 -2.620 3.832 1.242
65 HB3 CYS 11 1HB CYS 11 -1.733 4.005 -0.263
66 H HIS 12 H HIS 12 0.622 4.932 -0.631
67 HA HIS 12 HA HIS 12 2.514 2.861 -0.821
68 HB2 HIS 12 2HB HIS 12 1.684 4.513 -2.632
69 HB3 HIS 12 1HB HIS 12 2.930 5.594 -2.017
70 HD1 HIS 12 1HD HIS 12 2.398 2.853 -4.339
71 HD2 HIS 12 2HD HIS 12 5.610 4.413 -2.219
72 HE1 HIS 12 1HE HIS 12 4.462 1.954 -5.472
73 HE2 HIS 12 2HE HIS 12 6.388 2.815 -4.095
74 H ALA 13 H ALA 13 2.827 6.216 0.340
75 HA ALA 13 HA ALA 13 5.562 6.096 0.991
76 HB1 ALA 13 1HB ALA 13 5.148 8.070 2.368
77 HB2 ALA 13 2HB ALA 13 3.409 7.796 2.250
78 HB3 ALA 13 3HB ALA 13 4.337 8.207 0.808
79 H HIS 14 H HIS 14 2.645 5.365 2.840
80 HA HIS 14 HA HIS 14 3.766 4.909 5.342
81 HB2 HIS 14 2HB HIS 14 1.342 4.908 4.948
82 HB3 HIS 14 1HB HIS 14 1.480 3.421 4.026
83 HD1 HIS 14 1HD HIS 14 2.773 4.372 7.490
84 HD2 HIS 14 2HD HIS 14 0.538 1.433 5.582
85 HE1 HIS 14 1HE HIS 14 2.277 2.649 9.254
86 HE2 HIS 14 2HE HIS 14 0.970 0.855 8.064
87 H CYS 15 H CYS 15 3.132 2.573 2.753
88 HA CYS 15 HA CYS 15 4.333 0.353 3.923
89 HB2 CYS 15 2HB CYS 15 3.730 1.163 1.129
90 HB3 CYS 15 1HB CYS 15 4.832 -0.189 1.357
91 H LEU 16 H LEU 16 5.735 2.927 2.023
92 HA LEU 16 HA LEU 16 8.342 1.882 1.790
93 HB2 LEU 16 2HB LEU 16 7.019 4.479 1.399
94 HB3 LEU 16 1HB LEU 16 8.720 4.585 1.805
95 HG LEU 16 HG LEU 16 9.324 3.269 -0.133
96 HD11 LEU 16 1HD1 LEU 16 6.365 3.054 -0.663
97 HD12 LEU 16 2HD1 LEU 16 7.421 1.743 -0.141
98 HD13 LEU 16 3HD1 LEU 16 7.652 2.483 -1.724
99 HD21 LEU 16 3HD2 LEU 16 7.323 5.415 -0.827
100 HD22 LEU 16 1HD2 LEU 16 8.538 4.753 -1.921
101 HD23 LEU 16 2HD2 LEU 16 9.038 5.654 -0.488
102 H SER 17 H SER 17 6.697 3.531 4.368
103 HA SER 17 HA SER 17 9.059 4.250 5.821
104 HB2 SER 17 2HB SER 17 6.278 3.997 6.966
105 HB3 SER 17 1HB SER 17 7.595 5.025 7.529
106 HG SER 17 HG SER 17 6.823 5.435 4.905
107 H ILE 18 H ILE 18 7.386 1.298 5.396
108 HA ILE 18 HA ILE 18 8.391 0.307 7.974
109 HB ILE 18 HB ILE 18 6.991 -1.788 6.739
110 HG12 ILE 18 2HG1 ILE 18 5.415 0.793 6.613
111 HG13 ILE 18 1HG1 ILE 18 5.969 -0.129 5.220
112 HG21 ILE 18 1HG2 ILE 18 7.176 -1.224 9.148
113 HG22 ILE 18 2HG2 ILE 18 5.527 -1.585 8.636
114 HG23 ILE 18 3HG2 ILE 18 6.024 0.088 8.893
115 HD11 ILE 18 3HD1 ILE 18 4.554 -1.990 5.868
116 HD12 ILE 18 1HD1 ILE 18 3.608 -0.512 5.695
117 HD13 ILE 18 2HD1 ILE 18 4.028 -1.108 7.301
118 H GLY 19 H GLY 19 9.919 0.816 5.408
119 HA2 GLY 19 2HA GLY 19 11.909 -0.145 4.685
120 HA3 GLY 19 1HA GLY 19 11.513 -1.589 5.601
121 H ARG 20 H ARG 20 9.057 -0.461 3.496
122 HA ARG 20 HA ARG 20 9.709 -2.653 1.650
123 HB2 ARG 20 2HB ARG 20 7.106 -1.375 2.444
124 HB3 ARG 20 1HB ARG 20 7.241 -2.296 0.952
125 HG2 ARG 20 2HG ARG 20 6.537 -3.947 2.340
126 HG3 ARG 20 1HG ARG 20 8.278 -4.103 2.580
127 HD2 ARG 20 2HD ARG 20 8.205 -3.083 4.667
128 HD3 ARG 20 1HD ARG 20 6.657 -2.302 4.341
129 HE ARG 20 HE ARG 20 5.788 -4.743 4.361
130 HH11 ARG 20 1HH1 ARG 20 8.321 -3.445 6.431
131 HH12 ARG 20 2HH1 ARG 20 8.025 -4.589 7.700
132 HH21 ARG 20 1HH2 ARG 20 5.399 -6.232 6.022
133 HH22 ARG 20 2HH2 ARG 20 6.363 -6.172 7.472
134 H LYS 21 H LYS 21 9.828 -2.287 -0.545
135 HA LYS 21 HA LYS 21 10.465 0.420 -1.287
136 HB2 LYS 21 2HB LYS 21 11.802 -1.561 -2.026
137 HB3 LYS 21 1HB LYS 21 10.447 -2.029 -3.045
138 HG2 LYS 21 2HG LYS 21 10.672 -0.030 -4.356
139 HG3 LYS 21 1HG LYS 21 11.915 0.588 -3.269
140 HD2 LYS 21 2HD LYS 21 13.412 -1.201 -3.900
141 HD3 LYS 21 1HD LYS 21 12.156 -1.941 -4.895
142 HE2 LYS 21 2HE LYS 21 13.774 -0.685 -6.246
143 HE3 LYS 21 1HE LYS 21 12.149 -0.013 -6.368
144 HZ1 LYS 21 3HZ LYS 21 13.841 1.709 -6.115
145 HZ2 LYS 21 1HZ LYS 21 14.314 1.049 -4.630
146 HZ3 LYS 21 2HZ LYS 21 12.767 1.710 -4.809
147 H PHE 22 H PHE 22 7.780 -1.661 -1.604
148 HA PHE 22 HA PHE 22 6.368 0.411 -3.109
149 HB2 PHE 22 2HB PHE 22 6.068 -2.521 -3.778
150 HB3 PHE 22 1HB PHE 22 5.299 -1.167 -4.586
151 HD1 PHE 22 1HD PHE 22 6.775 0.474 -5.839
152 HD2 PHE 22 2HD PHE 22 8.124 -3.341 -4.519
153 HE1 PHE 22 1HE PHE 22 8.619 0.566 -7.467
154 HE2 PHE 22 2HE PHE 22 9.971 -3.254 -6.141
155 HZ PHE 22 HZ PHE 22 10.220 -1.298 -7.617
156 H GLY 23 H GLY 23 3.951 -0.125 -3.104
157 HA2 GLY 23 2HA GLY 23 2.668 -1.826 -1.425
158 HA3 GLY 23 1HA GLY 23 3.192 -0.526 -0.365
159 H PHE 24 H PHE 24 0.552 -1.533 -1.403
160 HA PHE 24 HA PHE 24 -0.801 0.930 -1.448
161 HB2 PHE 24 2HB PHE 24 -1.754 0.842 -3.729
162 HB3 PHE 24 1HB PHE 24 -0.018 1.127 -3.751
163 HD1 PHE 24 1HD PHE 24 1.517 -0.595 -4.546
164 HD2 PHE 24 2HD PHE 24 -2.696 -1.190 -4.608
165 HE1 PHE 24 1HE PHE 24 1.811 -2.490 -6.088
166 HE2 PHE 24 2HE PHE 24 -2.409 -3.086 -6.147
167 HZ PHE 24 HZ PHE 24 -0.154 -3.740 -6.888
168 H CYS 25 H CYS 25 -3.182 0.546 -1.863
169 HA CYS 25 HA CYS 25 -4.065 -1.625 -0.324
170 HB2 CYS 25 2HB CYS 25 -5.778 -0.156 -2.330
171 HB3 CYS 25 1HB CYS 25 -6.277 -0.895 -0.813
172 H ALA 26 H ALA 26 -4.235 -3.703 -0.834
173 HA ALA 26 HA ALA 26 -4.965 -4.443 -3.569
174 HB1 ALA 26 1HB ALA 26 -2.617 -5.647 -2.107
175 HB2 ALA 26 2HB ALA 26 -2.516 -4.533 -3.469
176 HB3 ALA 26 3HB ALA 26 -3.221 -6.133 -3.690
177 H GLY 27 H GLY 27 -4.584 -7.231 -3.153
178 HA2 GLY 27 2HA GLY 27 -5.426 -9.046 -1.934
179 HA3 GLY 27 1HA GLY 27 -6.176 -7.915 -0.815
180 HA PRO 28 HA PRO 28 -9.312 -9.693 -3.899
181 HB2 PRO 28 2HB PRO 28 -10.639 -10.715 -1.480
182 HB3 PRO 28 1HB PRO 28 -10.234 -11.557 -2.977
183 HG2 PRO 28 2HG PRO 28 -8.925 -12.044 -0.680
184 HG3 PRO 28 1HG PRO 28 -8.110 -12.098 -2.255
185 HD2 PRO 28 2HD PRO 28 -8.088 -9.935 -0.182
186 HD3 PRO 28 1HD PRO 28 -6.751 -10.562 -1.170
187 H LEU 29 H LEU 29 -9.331 -7.825 -1.000
188 HA LEU 29 HA LEU 29 -12.015 -6.799 -1.569
189 HB2 LEU 29 2HB LEU 29 -10.233 -6.647 0.845
190 HB3 LEU 29 1HB LEU 29 -11.599 -5.567 0.660
191 HG LEU 29 HG LEU 29 -12.426 -7.276 2.006
192 HD11 LEU 29 1HD1 LEU 29 -13.946 -6.829 0.183
193 HD12 LEU 29 2HD1 LEU 29 -14.019 -8.534 0.625
194 HD13 LEU 29 3HD1 LEU 29 -13.140 -8.035 -0.820
195 HD21 LEU 29 3HD2 LEU 29 -10.550 -8.811 1.797
196 HD22 LEU 29 1HD2 LEU 29 -11.091 -9.274 0.184
197 HD23 LEU 29 2HD2 LEU 29 -12.081 -9.662 1.592
198 H ARG 30 H ARG 30 -8.739 -6.053 -1.989
199 HA ARG 30 HA ARG 30 -7.580 -4.231 -2.704
200 HB2 ARG 30 2HB ARG 30 -9.473 -4.514 -4.450
201 HB3 ARG 30 1HB ARG 30 -10.174 -3.086 -3.700
202 HG2 ARG 30 2HG ARG 30 -8.954 -2.308 -5.541
203 HG3 ARG 30 1HG ARG 30 -7.965 -1.936 -4.130
204 HD2 ARG 30 2HD ARG 30 -6.933 -4.306 -4.682
205 HD3 ARG 30 1HD ARG 30 -7.525 -3.925 -6.300
206 HE ARG 30 HE ARG 30 -5.476 -2.451 -4.790
207 HH11 ARG 30 1HH1 ARG 30 -7.214 -2.996 -7.785
208 HH12 ARG 30 2HH1 ARG 30 -6.171 -1.980 -8.723
209 HH21 ARG 30 1HH2 ARG 30 -4.107 -1.111 -6.007
210 HH22 ARG 30 2HH2 ARG 30 -4.391 -0.895 -7.705
211 H ALA 31 H ALA 31 -8.695 -4.160 -0.021
212 HA ALA 31 HA ALA 31 -9.169 -1.283 0.338
213 HB1 ALA 31 1HB ALA 31 -10.949 -2.745 1.173
214 HB2 ALA 31 2HB ALA 31 -10.181 -1.834 2.473
215 HB3 ALA 31 3HB ALA 31 -9.788 -3.537 2.240
216 H THR 32 H THR 32 -7.728 -3.911 2.264
217 HA THR 32 HA THR 32 -6.069 -2.254 3.793
218 HB THR 32 HB THR 32 -5.142 -5.016 3.306
219 HG1 THR 32 1HG THR 32 -7.091 -5.671 4.648
220 HG21 THR 32 3HG2 THR 32 -5.959 -3.498 5.789
221 HG22 THR 32 1HG2 THR 32 -4.315 -3.662 5.174
222 HG23 THR 32 2HG2 THR 32 -5.183 -5.081 5.759
223 H CYS 33 H CYS 33 -3.969 -1.593 3.581
224 HA CYS 33 HA CYS 33 -2.854 -1.563 0.951
225 HB2 CYS 33 2HB CYS 33 -1.813 -0.582 3.594
226 HB3 CYS 33 1HB CYS 33 -0.884 -0.471 2.117
227 H THR 34 H THR 34 -1.487 -2.868 0.093
228 HA THR 34 HA THR 34 -0.109 -4.854 1.784
229 HB THR 34 HB THR 34 -0.633 -5.268 -1.143
230 HG1 THR 34 1HG THR 34 -2.475 -5.281 0.935
231 HG21 THR 34 3HG2 THR 34 -0.566 -7.634 -0.491
232 HG22 THR 34 1HG2 THR 34 -0.340 -7.162 1.193
233 HG23 THR 34 2HG2 THR 34 0.905 -6.793 -0.001
234 H CYS 35 H CYS 35 2.027 -4.619 1.829
235 HA CYS 35 HA CYS 35 3.266 -2.760 -0.011
236 HB2 CYS 35 2HB CYS 35 4.585 -4.218 2.265
237 HB3 CYS 35 1HB CYS 35 5.128 -2.741 1.470
238 H GLY 36 H GLY 36 5.524 -3.330 -0.789
239 HA2 GLY 36 2HA GLY 36 5.411 -5.352 -2.676
240 HA3 GLY 36 1HA GLY 36 6.894 -4.604 -2.114
241 H LYS 37 H LYS 37 6.699 -5.521 0.592
242 HA LYS 37 HA LYS 37 7.029 -8.418 0.213
243 HB2 LYS 37 2HB LYS 37 8.815 -6.481 1.675
244 HB3 LYS 37 1HB LYS 37 8.829 -8.202 2.036
245 HG2 LYS 37 2HG LYS 37 9.356 -8.630 -0.361
246 HG3 LYS 37 1HG LYS 37 9.512 -6.886 -0.582
247 HD2 LYS 37 2HD LYS 37 11.318 -6.801 1.017
248 HD3 LYS 37 1HD LYS 37 11.108 -8.511 1.395
249 HE2 LYS 37 2HE LYS 37 11.707 -9.085 -0.913
250 HE3 LYS 37 1HE LYS 37 11.936 -7.375 -1.274
251 HZ1 LYS 37 3HZ LYS 37 14.038 -8.461 -0.811
252 HZ2 LYS 37 1HZ LYS 37 13.487 -8.947 0.714
253 HZ3 LYS 37 2HZ LYS 37 13.705 -7.304 0.377
254 H GLN 38 H GLN 38 4.660 -7.380 0.976
255 HA GLN 38 HA GLN 38 3.017 -7.494 2.529
256 HB2 GLN 38 2HB GLN 38 4.221 -9.830 2.730
257 HB3 GLN 38 1HB GLN 38 4.722 -9.208 4.296
258 HG2 GLN 38 2HG GLN 38 2.741 -10.518 4.576
259 HG3 GLN 38 1HG GLN 38 2.348 -8.823 4.860
260 HE21 GLN 38 1HE2 GLN 38 2.025 -11.509 2.669
261 HE22 GLN 38 2HE2 GLN 38 0.709 -10.864 1.757
Start of MODEL 11
1 H1 GLY 1 1HT GLY 1 -10.441 2.062 -2.432
2 H2 GLY 1 2HT GLY 1 -9.088 3.081 -2.484
3 H3 GLY 1 3HT GLY 1 -10.398 3.464 -1.485
4 HA2 GLY 1 1HA GLY 1 -9.981 1.440 -0.184
5 HA3 GLY 1 2HA GLY 1 -8.549 1.173 -1.172
6 H PHE 2 H PHE 2 -7.203 1.331 0.662
7 HA PHE 2 HA PHE 2 -7.183 3.496 2.449
8 HB2 PHE 2 2HB PHE 2 -6.024 1.302 2.794
9 HB3 PHE 2 1HB PHE 2 -4.813 1.806 1.619
10 HD1 PHE 2 1HD PHE 2 -6.314 2.694 4.891
11 HD2 PHE 2 2HD PHE 2 -2.982 3.100 2.274
12 HE1 PHE 2 1HE PHE 2 -5.040 3.788 6.688
13 HE2 PHE 2 2HE PHE 2 -1.702 4.194 4.067
14 HZ PHE 2 HZ PHE 2 -2.731 4.540 6.278
15 H GLY 3 H GLY 3 -4.967 2.876 -0.288
16 HA2 GLY 3 2HA GLY 3 -4.277 5.726 -0.272
17 HA3 GLY 3 1HA GLY 3 -3.372 4.454 -1.081
18 H CYS 4 H CYS 4 -4.587 3.347 -2.893
19 HA CYS 4 HA CYS 4 -5.433 5.346 -4.748
20 HB2 CYS 4 2HB CYS 4 -5.618 3.504 -6.328
21 HB3 CYS 4 1HB CYS 4 -4.130 3.339 -5.403
22 HA PRO 5 HA PRO 5 -6.527 5.371 -6.594
23 HB2 PRO 5 2HB PRO 5 -8.819 6.741 -7.522
24 HB3 PRO 5 1HB PRO 5 -8.183 5.211 -8.122
25 HG2 PRO 5 2HG PRO 5 -10.618 5.546 -6.821
26 HG3 PRO 5 1HG PRO 5 -9.761 4.007 -7.013
27 HD2 PRO 5 2HD PRO 5 -9.838 5.855 -4.661
28 HD3 PRO 5 1HD PRO 5 -9.838 4.077 -4.703
29 H PHE 6 H PHE 6 -7.477 6.757 -3.874
30 HA PHE 6 HA PHE 6 -7.715 9.504 -4.504
31 HB2 PHE 6 2HB PHE 6 -6.770 8.318 -1.889
32 HB3 PHE 6 1HB PHE 6 -7.487 9.906 -2.138
33 HD1 PHE 6 1HD PHE 6 -9.898 10.012 -2.938
34 HD2 PHE 6 2HD PHE 6 -8.102 6.469 -1.410
35 HE1 PHE 6 1HE PHE 6 -12.129 9.073 -2.503
36 HE2 PHE 6 2HE PHE 6 -10.330 5.523 -0.974
37 HZ PHE 6 HZ PHE 6 -12.347 6.824 -1.521
38 H ASN 7 H ASN 7 -5.015 7.927 -2.768
39 HA ASN 7 HA ASN 7 -3.167 9.540 -4.373
40 HB2 ASN 7 2HB ASN 7 -3.667 10.623 -2.117
41 HB3 ASN 7 1HB ASN 7 -2.810 9.266 -1.393
42 HD21 ASN 7 1HD2 ASN 7 -1.972 11.864 -1.046
43 HD22 ASN 7 2HD2 ASN 7 -0.470 12.092 -1.883
44 H GLU 8 H GLU 8 -2.248 7.929 -5.485
45 HA GLU 8 HA GLU 8 -1.638 5.376 -4.419
46 HB2 GLU 8 2HB GLU 8 -0.459 4.960 -6.471
47 HB3 GLU 8 1HB GLU 8 -1.916 5.858 -6.847
48 HG2 GLU 8 2HG GLU 8 0.893 6.934 -6.751
49 HG3 GLU 8 1HG GLU 8 -0.091 6.658 -8.188
50 H ASN 9 H ASN 9 0.188 8.353 -4.755
51 HA ASN 9 HA ASN 9 2.685 7.293 -3.925
52 HB2 ASN 9 2HB ASN 9 1.548 10.018 -4.272
53 HB3 ASN 9 1HB ASN 9 2.953 9.870 -3.222
54 HD21 ASN 9 1HD2 ASN 9 1.742 9.586 -6.468
55 HD22 ASN 9 2HD2 ASN 9 3.296 9.469 -7.233
56 H GLU 10 H GLU 10 -0.092 8.548 -2.154
57 HA GLU 10 HA GLU 10 1.220 8.697 0.369
58 HB2 GLU 10 2HB GLU 10 -1.444 9.090 -0.620
59 HB3 GLU 10 1HB GLU 10 -1.510 8.040 0.790
60 HG2 GLU 10 2HG GLU 10 -0.383 9.673 2.133
61 HG3 GLU 10 1HG GLU 10 -0.102 10.698 0.726
62 H CYS 11 H CYS 11 -0.701 6.209 -1.253
63 HA CYS 11 HA CYS 11 -0.539 4.259 0.781
64 HB2 CYS 11 2HB CYS 11 -2.090 4.044 -1.095
65 HB3 CYS 11 1HB CYS 11 -0.750 3.948 -2.228
66 H HIS 12 H HIS 12 1.525 5.022 -1.959
67 HA HIS 12 HA HIS 12 3.418 2.966 -1.614
68 HB2 HIS 12 2HB HIS 12 3.074 4.507 -3.637
69 HB3 HIS 12 1HB HIS 12 4.015 5.701 -2.752
70 HD1 HIS 12 1HD HIS 12 4.617 3.769 -5.448
71 HD2 HIS 12 2HD HIS 12 6.469 3.878 -1.739
72 HE1 HIS 12 1HE HIS 12 6.909 2.791 -5.810
73 HE2 HIS 12 2HE HIS 12 7.935 2.693 -3.507
74 H ALA 13 H ALA 13 3.311 6.324 -0.453
75 HA ALA 13 HA ALA 13 5.784 6.347 0.876
76 HB1 ALA 13 1HB ALA 13 3.284 7.901 1.554
77 HB2 ALA 13 2HB ALA 13 4.515 8.386 0.386
78 HB3 ALA 13 3HB ALA 13 4.919 8.277 2.099
79 H HIS 14 H HIS 14 2.530 5.473 1.952
80 HA HIS 14 HA HIS 14 3.033 4.989 4.642
81 HB2 HIS 14 2HB HIS 14 0.775 4.858 3.760
82 HB3 HIS 14 1HB HIS 14 1.208 3.497 2.741
83 HD1 HIS 14 1HD HIS 14 1.373 4.201 6.495
84 HD2 HIS 14 2HD HIS 14 0.352 1.184 3.821
85 HE1 HIS 14 1HE HIS 14 0.652 2.255 7.915
86 HE2 HIS 14 2HE HIS 14 0.193 0.395 6.278
87 H CYS 15 H CYS 15 3.133 2.696 1.947
88 HA CYS 15 HA CYS 15 4.178 0.512 3.311
89 HB2 CYS 15 2HB CYS 15 4.220 1.392 0.468
90 HB3 CYS 15 1HB CYS 15 5.278 0.064 0.933
91 H LEU 16 H LEU 16 5.844 3.197 1.815
92 HA LEU 16 HA LEU 16 8.485 2.322 2.127
93 HB2 LEU 16 2HB LEU 16 7.164 4.986 1.871
94 HB3 LEU 16 1HB LEU 16 8.860 4.920 2.292
95 HG LEU 16 HG LEU 16 7.679 3.648 -0.179
96 HD11 LEU 16 1HD1 LEU 16 9.144 6.267 0.118
97 HD12 LEU 16 2HD1 LEU 16 7.434 6.071 -0.266
98 HD13 LEU 16 3HD1 LEU 16 8.662 5.519 -1.405
99 HD21 LEU 16 3HD2 LEU 16 9.998 3.496 -0.913
100 HD22 LEU 16 1HD2 LEU 16 9.755 2.617 0.596
101 HD23 LEU 16 2HD2 LEU 16 10.537 4.197 0.613
102 H SER 17 H SER 17 6.260 3.834 4.356
103 HA SER 17 HA SER 17 8.163 4.577 6.327
104 HB2 SER 17 2HB SER 17 5.254 3.975 6.849
105 HB3 SER 17 1HB SER 17 6.306 5.093 7.715
106 HG SER 17 HG SER 17 6.134 5.652 5.045
107 H ILE 18 H ILE 18 6.694 1.527 5.535
108 HA ILE 18 HA ILE 18 7.466 0.486 8.170
109 HB ILE 18 HB ILE 18 6.311 -1.662 6.980
110 HG12 ILE 18 2HG1 ILE 18 4.759 0.757 6.026
111 HG13 ILE 18 1HG1 ILE 18 5.677 -0.329 4.989
112 HG21 ILE 18 1HG2 ILE 18 4.367 -1.165 8.365
113 HG22 ILE 18 2HG2 ILE 18 4.896 0.510 8.522
114 HG23 ILE 18 3HG2 ILE 18 5.867 -0.790 9.216
115 HD11 ILE 18 3HD1 ILE 18 3.284 -1.086 6.648
116 HD12 ILE 18 1HD1 ILE 18 4.199 -2.166 5.596
117 HD13 ILE 18 2HD1 ILE 18 3.300 -0.815 4.906
118 H GLY 19 H GLY 19 9.335 1.199 6.040
119 HA2 GLY 19 2HA GLY 19 11.432 0.349 5.538
120 HA3 GLY 19 1HA GLY 19 10.931 -1.203 6.187
121 H ARG 20 H ARG 20 8.496 -0.763 4.236
122 HA ARG 20 HA ARG 20 9.550 -2.469 2.208
123 HB2 ARG 20 2HB ARG 20 6.992 -1.000 1.775
124 HB3 ARG 20 1HB ARG 20 7.392 -2.674 1.426
125 HG2 ARG 20 2HG ARG 20 6.940 -1.567 4.190
126 HG3 ARG 20 1HG ARG 20 5.719 -2.393 3.224
127 HD2 ARG 20 2HD ARG 20 7.636 -4.237 3.111
128 HD3 ARG 20 1HD ARG 20 8.088 -3.478 4.638
129 HE ARG 20 HE ARG 20 5.528 -4.830 4.056
130 HH11 ARG 20 1HH1 ARG 20 7.709 -3.345 6.383
131 HH12 ARG 20 2HH1 ARG 20 6.925 -4.068 7.749
132 HH21 ARG 20 1HH2 ARG 20 4.495 -5.756 5.843
133 HH22 ARG 20 2HH2 ARG 20 5.093 -5.433 7.445
134 H LYS 21 H LYS 21 9.391 -1.938 -0.147
135 HA LYS 21 HA LYS 21 10.350 0.795 -0.569
136 HB2 LYS 21 2HB LYS 21 10.878 -1.742 -2.097
137 HB3 LYS 21 1HB LYS 21 11.354 -0.153 -2.685
138 HG2 LYS 21 2HG LYS 21 12.243 -1.363 -0.073
139 HG3 LYS 21 1HG LYS 21 13.189 -1.351 -1.564
140 HD2 LYS 21 2HD LYS 21 13.735 0.829 -1.352
141 HD3 LYS 21 1HD LYS 21 12.155 1.268 -0.705
142 HE2 LYS 21 2HE LYS 21 14.122 -0.295 0.931
143 HE3 LYS 21 1HE LYS 21 14.219 1.462 0.828
144 HZ1 LYS 21 3HZ LYS 21 12.846 1.326 2.591
145 HZ2 LYS 21 1HZ LYS 21 12.269 -0.215 2.192
146 HZ3 LYS 21 2HZ LYS 21 11.643 1.152 1.413
147 H PHE 22 H PHE 22 8.138 -1.599 -1.783
148 HA PHE 22 HA PHE 22 6.690 0.532 -3.177
149 HB2 PHE 22 2HB PHE 22 6.883 -2.219 -4.378
150 HB3 PHE 22 1HB PHE 22 6.325 -0.737 -5.131
151 HD1 PHE 22 1HD PHE 22 7.998 1.058 -5.672
152 HD2 PHE 22 2HD PHE 22 9.135 -2.881 -4.528
153 HE1 PHE 22 1HE PHE 22 10.230 1.426 -6.640
154 HE2 PHE 22 2HE PHE 22 11.369 -2.519 -5.493
155 HZ PHE 22 HZ PHE 22 11.919 -0.364 -6.549
156 H GLY 23 H GLY 23 4.442 -0.138 -3.688
157 HA2 GLY 23 2HA GLY 23 3.116 -2.317 -2.658
158 HA3 GLY 23 1HA GLY 23 3.198 -1.154 -1.341
159 H PHE 24 H PHE 24 0.838 -2.099 -2.616
160 HA PHE 24 HA PHE 24 -0.383 0.437 -3.227
161 HB2 PHE 24 2HB PHE 24 -1.438 -0.437 -5.352
162 HB3 PHE 24 1HB PHE 24 0.274 -0.050 -5.470
163 HD1 PHE 24 2HD PHE 24 -2.187 -2.777 -5.346
164 HD2 PHE 24 1HD PHE 24 1.905 -1.746 -5.897
165 HE1 PHE 24 2HE PHE 24 -1.740 -5.034 -6.216
166 HE2 PHE 24 1HE PHE 24 2.359 -4.001 -6.771
167 HZ PHE 24 HZ PHE 24 0.536 -5.648 -6.930
168 H CYS 25 H CYS 25 -2.849 -0.083 -3.772
169 HA CYS 25 HA CYS 25 -3.779 -1.541 -1.504
170 HB2 CYS 25 2HB CYS 25 -5.760 -0.862 -3.571
171 HB3 CYS 25 1HB CYS 25 -5.740 -0.470 -1.856
172 H ALA 26 H ALA 26 -4.549 -3.543 -1.342
173 HA ALA 26 HA ALA 26 -5.268 -5.046 -3.734
174 HB1 ALA 26 1HB ALA 26 -3.858 -6.948 -3.124
175 HB2 ALA 26 2HB ALA 26 -3.183 -6.024 -1.782
176 HB3 ALA 26 3HB ALA 26 -2.885 -5.511 -3.443
177 H GLY 27 H GLY 27 -6.241 -7.189 -3.108
178 HA2 GLY 27 2HA GLY 27 -7.665 -8.479 -1.827
179 HA3 GLY 27 1HA GLY 27 -7.154 -7.559 -0.419
180 HA PRO 28 HA PRO 28 -10.950 -5.389 -2.704
181 HB2 PRO 28 2HB PRO 28 -12.461 -7.856 -3.285
182 HB3 PRO 28 1HB PRO 28 -12.214 -6.423 -4.288
183 HG2 PRO 28 2HG PRO 28 -10.996 -8.740 -4.845
184 HG3 PRO 28 1HG PRO 28 -10.191 -7.181 -5.109
185 HD2 PRO 28 2HD PRO 28 -9.835 -9.147 -2.877
186 HD3 PRO 28 1HD PRO 28 -8.612 -8.197 -3.748
187 H LEU 29 H LEU 29 -10.641 -7.865 -0.415
188 HA LEU 29 HA LEU 29 -13.282 -7.544 0.729
189 HB2 LEU 29 2HB LEU 29 -10.875 -9.085 1.702
190 HB3 LEU 29 1HB LEU 29 -12.459 -9.120 2.450
191 HG LEU 29 HG LEU 29 -11.857 -10.057 -0.357
192 HD11 LEU 29 1HD1 LEU 29 -10.820 -11.500 1.303
193 HD12 LEU 29 2HD1 LEU 29 -12.194 -12.305 0.544
194 HD13 LEU 29 3HD1 LEU 29 -12.352 -11.630 2.166
195 HD21 LEU 29 3HD2 LEU 29 -14.355 -10.275 1.319
196 HD22 LEU 29 1HD2 LEU 29 -14.114 -10.997 -0.271
197 HD23 LEU 29 2HD2 LEU 29 -14.139 -9.242 -0.095
198 H ARG 30 H ARG 30 -10.627 -5.648 0.742
199 HA ARG 30 HA ARG 30 -11.469 -4.304 3.156
200 HB2 ARG 30 2HB ARG 30 -9.622 -6.134 3.653
201 HB3 ARG 30 1HB ARG 30 -8.543 -4.879 3.058
202 HG2 ARG 30 2HG ARG 30 -8.662 -4.709 5.434
203 HG3 ARG 30 1HG ARG 30 -9.513 -3.328 4.738
204 HD2 ARG 30 2HD ARG 30 -11.145 -3.904 6.173
205 HD3 ARG 30 1HD ARG 30 -11.533 -5.122 4.960
206 HE ARG 30 HE ARG 30 -9.841 -5.652 7.320
207 HH11 ARG 30 1HH1 ARG 30 -12.262 -6.654 4.992
208 HH12 ARG 30 2HH1 ARG 30 -12.537 -8.187 5.754
209 HH21 ARG 30 1HH2 ARG 30 -10.194 -7.685 8.315
210 HH22 ARG 30 2HH2 ARG 30 -11.357 -8.777 7.640
211 H ALA 31 H ALA 31 -9.424 -4.483 0.336
212 HA ALA 31 HA ALA 31 -8.616 -2.937 -1.099
213 HB1 ALA 31 1HB ALA 31 -10.918 -2.106 -1.123
214 HB2 ALA 31 2HB ALA 31 -9.751 -0.795 -1.305
215 HB3 ALA 31 3HB ALA 31 -10.551 -1.054 0.245
216 H THR 32 H THR 32 -7.379 -3.348 1.502
217 HA THR 32 HA THR 32 -6.319 -0.760 2.261
218 HB THR 32 HB THR 32 -6.807 -2.520 3.974
219 HG1 THR 32 1HG THR 32 -4.777 -2.200 5.081
220 HG21 THR 32 3HG2 THR 32 -5.215 -4.368 4.254
221 HG22 THR 32 1HG2 THR 32 -4.419 -3.907 2.748
222 HG23 THR 32 2HG2 THR 32 -6.084 -4.489 2.724
223 H CYS 33 H CYS 33 -3.795 -0.775 2.577
224 HA CYS 33 HA CYS 33 -2.730 -1.323 -0.069
225 HB2 CYS 33 2HB CYS 33 -1.638 0.212 2.272
226 HB3 CYS 33 1HB CYS 33 -0.695 -0.108 0.830
227 H THR 34 H THR 34 -1.375 -2.811 -0.563
228 HA THR 34 HA THR 34 -0.112 -4.419 1.559
229 HB THR 34 HB THR 34 -0.781 -5.538 -1.149
230 HG1 THR 34 1HG THR 34 -2.543 -4.799 0.790
231 HG21 THR 34 3HG2 THR 34 -0.770 -7.663 0.081
232 HG22 THR 34 1HG2 THR 34 -0.442 -6.792 1.579
233 HG23 THR 34 2HG2 THR 34 0.754 -6.798 0.284
234 H CYS 35 H CYS 35 2.025 -4.338 1.485
235 HA CYS 35 HA CYS 35 3.312 -3.011 -0.732
236 HB2 CYS 35 2HB CYS 35 4.659 -4.130 1.713
237 HB3 CYS 35 1HB CYS 35 5.187 -2.800 0.686
238 H GLY 36 H GLY 36 5.344 -3.862 -1.630
239 HA2 GLY 36 2HA GLY 36 4.957 -6.410 -2.790
240 HA3 GLY 36 1HA GLY 36 6.411 -5.437 -2.909
241 H LYS 37 H LYS 37 6.163 -5.591 0.198
242 HA LYS 37 HA LYS 37 7.390 -8.241 0.502
243 HB2 LYS 37 2HB LYS 37 8.367 -5.581 1.515
244 HB3 LYS 37 1HB LYS 37 8.812 -7.077 2.326
245 HG2 LYS 37 2HG LYS 37 9.296 -6.563 -0.599
246 HG3 LYS 37 1HG LYS 37 10.480 -6.233 0.668
247 HD2 LYS 37 2HD LYS 37 10.967 -8.418 0.957
248 HD3 LYS 37 1HD LYS 37 9.293 -8.925 0.731
249 HE2 LYS 37 2HE LYS 37 10.794 -7.907 -1.628
250 HE3 LYS 37 1HE LYS 37 11.176 -9.520 -1.027
251 HZ1 LYS 37 3HZ LYS 37 8.432 -8.613 -1.732
252 HZ2 LYS 37 1HZ LYS 37 8.917 -10.185 -1.329
253 HZ3 LYS 37 2HZ LYS 37 9.444 -9.485 -2.773
254 H GLN 38 H GLN 38 4.694 -7.474 0.885
255 HA GLN 38 HA GLN 38 2.975 -7.790 2.310
256 HB2 GLN 38 2HB GLN 38 5.166 -9.298 3.552
257 HB3 GLN 38 1HB GLN 38 3.927 -8.783 4.686
258 HG2 GLN 38 2HG GLN 38 3.481 -10.397 2.184
259 HG3 GLN 38 1HG GLN 38 3.478 -11.010 3.836
260 HE21 GLN 38 1HE2 GLN 38 2.111 -8.518 4.758
261 HE22 GLN 38 2HE2 GLN 38 0.457 -8.735 4.303
Start of MODEL 12
1 H1 GLY 1 1HT GLY 1 -10.536 4.212 -0.228
2 H2 GLY 1 2HT GLY 1 -10.863 2.948 -1.305
3 H3 GLY 1 3HT GLY 1 -9.306 3.612 -1.225
4 HA2 GLY 1 1HA GLY 1 -10.679 2.027 0.874
5 HA3 GLY 1 2HA GLY 1 -9.285 1.530 -0.079
6 H PHE 2 H PHE 2 -7.890 1.255 1.649
7 HA PHE 2 HA PHE 2 -7.565 3.189 3.706
8 HB2 PHE 2 2HB PHE 2 -6.918 0.741 3.835
9 HB3 PHE 2 1HB PHE 2 -5.525 1.132 2.832
10 HD1 PHE 2 1HD PHE 2 -7.186 2.350 5.944
11 HD2 PHE 2 2HD PHE 2 -3.541 1.539 3.905
12 HE1 PHE 2 1HE PHE 2 -5.925 2.977 7.960
13 HE2 PHE 2 2HE PHE 2 -2.272 2.164 5.918
14 HZ PHE 2 HZ PHE 2 -3.464 2.884 7.949
15 H GLY 3 H GLY 3 -5.986 2.579 0.634
16 HA2 GLY 3 2HA GLY 3 -4.438 5.062 1.001
17 HA3 GLY 3 1HA GLY 3 -3.921 3.715 -0.009
18 H CYS 4 H CYS 4 -4.808 3.431 -2.031
19 HA CYS 4 HA CYS 4 -5.609 5.754 -3.399
20 HB2 CYS 4 2HB CYS 4 -5.993 4.207 -5.311
21 HB3 CYS 4 1HB CYS 4 -4.435 3.953 -4.533
22 HA PRO 5 HA PRO 5 -6.642 5.879 -5.434
23 HB2 PRO 5 2HB PRO 5 -8.807 7.483 -6.316
24 HB3 PRO 5 1HB PRO 5 -8.262 5.956 -7.008
25 HG2 PRO 5 2HG PRO 5 -10.702 6.372 -5.738
26 HG3 PRO 5 1HG PRO 5 -9.950 4.794 -6.023
27 HD2 PRO 5 2HD PRO 5 -9.975 6.467 -3.545
28 HD3 PRO 5 1HD PRO 5 -10.078 4.700 -3.720
29 H PHE 6 H PHE 6 -7.702 7.220 -2.670
30 HA PHE 6 HA PHE 6 -7.271 10.000 -3.379
31 HB2 PHE 6 2HB PHE 6 -7.940 8.755 -0.705
32 HB3 PHE 6 1HB PHE 6 -7.916 10.479 -1.061
33 HD1 PHE 6 2HD PHE 6 -9.531 11.330 -2.861
34 HD2 PHE 6 1HD PHE 6 -9.874 7.514 -1.006
35 HE1 PHE 6 2HE PHE 6 -11.894 11.215 -3.539
36 HE2 PHE 6 1HE PHE 6 -12.238 7.393 -1.682
37 HZ PHE 6 HZ PHE 6 -13.251 9.246 -2.951
38 H ASN 7 H ASN 7 -6.063 8.081 -0.628
39 HA ASN 7 HA ASN 7 -3.599 9.658 -0.754
40 HB2 ASN 7 2HB ASN 7 -3.573 8.089 1.587
41 HB3 ASN 7 1HB ASN 7 -3.841 9.822 1.456
42 HD21 ASN 7 1HD2 ASN 7 -5.269 6.748 2.045
43 HD22 ASN 7 2HD2 ASN 7 -6.855 7.321 2.413
44 H GLU 8 H GLU 8 -3.399 8.008 -2.715
45 HA GLU 8 HA GLU 8 -2.377 5.424 -2.024
46 HB2 GLU 8 2HB GLU 8 -3.286 6.481 -4.351
47 HB3 GLU 8 1HB GLU 8 -1.554 6.636 -4.601
48 HG2 GLU 8 2HG GLU 8 -3.166 4.139 -4.194
49 HG3 GLU 8 1HG GLU 8 -2.170 4.591 -5.574
50 H ASN 9 H ASN 9 -0.959 8.513 -2.988
51 HA ASN 9 HA ASN 9 1.736 7.734 -2.995
52 HB2 ASN 9 2HB ASN 9 0.481 10.418 -2.355
53 HB3 ASN 9 1HB ASN 9 2.204 10.168 -2.611
54 HD21 ASN 9 1HD2 ASN 9 0.094 11.723 -4.051
55 HD22 ASN 9 2HD2 ASN 9 0.240 11.228 -5.701
56 H GLU 10 H GLU 10 -0.388 8.823 -0.441
57 HA GLU 10 HA GLU 10 1.599 9.051 1.573
58 HB2 GLU 10 2HB GLU 10 -1.405 8.738 1.719
59 HB3 GLU 10 1HB GLU 10 -0.388 9.026 3.123
60 HG2 GLU 10 2HG GLU 10 -1.398 11.092 2.397
61 HG3 GLU 10 1HG GLU 10 0.344 11.156 2.143
62 H CYS 11 H CYS 11 -0.781 6.502 0.818
63 HA CYS 11 HA CYS 11 0.084 4.746 2.871
64 HB2 CYS 11 2HB CYS 11 -2.057 4.726 1.276
65 HB3 CYS 11 1HB CYS 11 -1.042 3.642 0.331
66 H HIS 12 H HIS 12 0.941 5.177 -0.491
67 HA HIS 12 HA HIS 12 2.687 3.017 -0.844
68 HB2 HIS 12 2HB HIS 12 1.673 4.868 -2.473
69 HB3 HIS 12 1HB HIS 12 3.230 5.631 -2.179
70 HD1 HIS 12 1HD HIS 12 1.622 3.438 -4.456
71 HD2 HIS 12 2HD HIS 12 5.426 3.649 -2.771
72 HE1 HIS 12 1HE HIS 12 3.133 2.099 -5.979
73 HE2 HIS 12 2HE HIS 12 5.443 2.370 -5.014
74 H ALA 13 H ALA 13 3.407 6.429 -0.079
75 HA ALA 13 HA ALA 13 6.172 6.123 0.255
76 HB1 ALA 13 1HB ALA 13 4.363 8.141 1.579
77 HB2 ALA 13 2HB ALA 13 5.092 8.303 -0.019
78 HB3 ALA 13 3HB ALA 13 6.114 8.262 1.418
79 H HIS 14 H HIS 14 3.510 5.907 2.586
80 HA HIS 14 HA HIS 14 5.022 5.630 4.915
81 HB2 HIS 14 2HB HIS 14 2.537 5.871 4.836
82 HB3 HIS 14 1HB HIS 14 2.428 4.201 4.305
83 HD1 HIS 14 1HD HIS 14 4.578 5.603 7.111
84 HD2 HIS 14 2HD HIS 14 1.432 2.948 6.503
85 HE1 HIS 14 1HE HIS 14 4.208 4.472 9.330
86 HE2 HIS 14 2HE HIS 14 2.225 2.957 8.965
87 H CYS 15 H CYS 15 3.725 3.096 2.798
88 HA CYS 15 HA CYS 15 4.854 0.908 4.109
89 HB2 CYS 15 2HB CYS 15 3.124 0.956 2.196
90 HB3 CYS 15 1HB CYS 15 4.518 1.006 1.121
91 H LEU 16 H LEU 16 6.137 2.985 1.616
92 HA LEU 16 HA LEU 16 8.520 1.571 1.113
93 HB2 LEU 16 2HB LEU 16 7.416 4.227 0.513
94 HB3 LEU 16 1HB LEU 16 9.165 4.169 0.590
95 HG LEU 16 HG LEU 16 9.264 2.539 -1.176
96 HD11 LEU 16 1HD1 LEU 16 6.253 2.491 -1.037
97 HD12 LEU 16 2HD1 LEU 16 7.345 1.185 -0.578
98 HD13 LEU 16 3HD1 LEU 16 7.231 1.687 -2.265
99 HD21 LEU 16 3HD2 LEU 16 7.279 4.704 -1.863
100 HD22 LEU 16 1HD2 LEU 16 8.225 3.772 -3.022
101 HD23 LEU 16 2HD2 LEU 16 9.037 4.855 -1.892
102 H SER 17 H SER 17 7.575 3.758 3.631
103 HA SER 17 HA SER 17 10.223 4.402 4.507
104 HB2 SER 17 2HB SER 17 7.671 4.604 6.114
105 HB3 SER 17 1HB SER 17 9.171 5.492 6.373
106 HG SER 17 HG SER 17 7.973 5.744 3.871
107 H ILE 18 H ILE 18 8.197 1.649 4.908
108 HA ILE 18 HA ILE 18 9.671 0.892 7.330
109 HB ILE 18 HB ILE 18 7.921 -1.175 6.985
110 HG12 ILE 18 2HG1 ILE 18 6.433 1.354 6.244
111 HG13 ILE 18 1HG1 ILE 18 6.809 0.052 5.120
112 HG21 ILE 18 1HG2 ILE 18 8.438 0.039 9.049
113 HG22 ILE 18 2HG2 ILE 18 6.701 -0.186 8.841
114 HG23 ILE 18 3HG2 ILE 18 7.432 1.385 8.507
115 HD11 ILE 18 3HD1 ILE 18 5.443 -1.480 6.430
116 HD12 ILE 18 1HD1 ILE 18 4.513 -0.077 5.904
117 HD13 ILE 18 2HD1 ILE 18 5.079 -0.186 7.571
118 H GLY 19 H GLY 19 10.876 0.904 4.699
119 HA2 GLY 19 2HA GLY 19 12.670 -0.448 4.007
120 HA3 GLY 19 1HA GLY 19 11.937 -1.810 4.828
121 H ARG 20 H ARG 20 9.369 -0.826 3.262
122 HA ARG 20 HA ARG 20 9.696 -2.782 1.194
123 HB2 ARG 20 2HB ARG 20 7.461 -0.897 1.917
124 HB3 ARG 20 1HB ARG 20 7.379 -1.937 0.502
125 HG2 ARG 20 2HG ARG 20 6.251 -3.155 2.108
126 HG3 ARG 20 1HG ARG 20 7.869 -3.855 2.158
127 HD2 ARG 20 2HD ARG 20 8.394 -2.785 4.172
128 HD3 ARG 20 1HD ARG 20 7.084 -1.617 3.998
129 HE ARG 20 HE ARG 20 5.642 -3.792 4.227
130 HH11 ARG 20 1HH1 ARG 20 8.557 -2.988 6.032
131 HH12 ARG 20 2HH1 ARG 20 8.089 -3.929 7.409
132 HH21 ARG 20 1HH2 ARG 20 5.045 -4.992 6.000
133 HH22 ARG 20 2HH2 ARG 20 6.075 -5.081 7.399
134 H LYS 21 H LYS 21 9.606 -2.439 -1.073
135 HA LYS 21 HA LYS 21 10.588 0.203 -1.871
136 HB2 LYS 21 2HB LYS 21 11.107 -2.543 -2.902
137 HB3 LYS 21 1HB LYS 21 11.242 -1.185 -4.010
138 HG2 LYS 21 2HG LYS 21 13.381 -1.235 -3.292
139 HG3 LYS 21 1HG LYS 21 12.713 -0.219 -2.013
140 HD2 LYS 21 2HD LYS 21 12.268 -2.529 -0.846
141 HD3 LYS 21 1HD LYS 21 13.542 -3.087 -1.932
142 HE2 LYS 21 2HE LYS 21 14.550 -2.459 0.145
143 HE3 LYS 21 1HE LYS 21 14.990 -1.253 -1.063
144 HZ1 LYS 21 3HZ LYS 21 14.382 -0.125 0.927
145 HZ2 LYS 21 1HZ LYS 21 12.936 -0.994 1.070
146 HZ3 LYS 21 2HZ LYS 21 13.133 0.130 -0.181
147 H PHE 22 H PHE 22 8.333 -2.308 -2.756
148 HA PHE 22 HA PHE 22 6.781 -0.318 -4.246
149 HB2 PHE 22 2HB PHE 22 6.797 -3.113 -5.284
150 HB3 PHE 22 1HB PHE 22 6.496 -1.609 -6.134
151 HD1 PHE 22 2HD PHE 22 8.410 -0.144 -6.763
152 HD2 PHE 22 1HD PHE 22 8.957 -4.082 -5.242
153 HE1 PHE 22 2HE PHE 22 10.705 -0.164 -7.650
154 HE2 PHE 22 1HE PHE 22 11.254 -4.109 -6.126
155 HZ PHE 22 HZ PHE 22 12.131 -2.147 -7.332
156 H GLY 23 H GLY 23 4.550 -0.853 -4.442
157 HA2 GLY 23 2HA GLY 23 3.060 -2.882 -3.556
158 HA3 GLY 23 1HA GLY 23 3.552 -2.130 -2.043
159 H PHE 24 H PHE 24 0.875 -2.355 -2.991
160 HA PHE 24 HA PHE 24 -0.019 0.302 -2.607
161 HB2 PHE 24 2HB PHE 24 -1.158 0.646 -4.782
162 HB3 PHE 24 1HB PHE 24 0.592 0.632 -4.949
163 HD1 PHE 24 1HD PHE 24 1.718 -1.339 -5.946
164 HD2 PHE 24 2HD PHE 24 -2.520 -0.959 -5.873
165 HE1 PHE 24 1HE PHE 24 1.537 -3.064 -7.690
166 HE2 PHE 24 2HE PHE 24 -2.709 -2.687 -7.615
167 HZ PHE 24 HZ PHE 24 -0.679 -3.743 -8.525
168 H CYS 25 H CYS 25 -2.560 0.295 -3.263
169 HA CYS 25 HA CYS 25 -3.687 -1.700 -1.620
170 HB2 CYS 25 2HB CYS 25 -5.672 -0.580 -3.365
171 HB3 CYS 25 1HB CYS 25 -5.430 -0.309 -1.643
172 H ALA 26 H ALA 26 -3.674 -3.758 -2.126
173 HA ALA 26 HA ALA 26 -5.159 -4.739 -4.367
174 HB1 ALA 26 1HB ALA 26 -3.060 -4.206 -5.523
175 HB2 ALA 26 2HB ALA 26 -3.352 -5.944 -5.483
176 HB3 ALA 26 3HB ALA 26 -2.177 -5.222 -4.385
177 H GLY 27 H GLY 27 -5.204 -7.148 -4.374
178 HA2 GLY 27 2HA GLY 27 -4.360 -9.140 -3.096
179 HA3 GLY 27 1HA GLY 27 -4.670 -8.176 -1.660
180 HA PRO 28 HA PRO 28 -8.672 -10.079 -1.737
181 HB2 PRO 28 2HB PRO 28 -9.786 -8.806 0.334
182 HB3 PRO 28 1HB PRO 28 -8.441 -9.929 0.568
183 HG2 PRO 28 2HG PRO 28 -8.423 -6.940 0.498
184 HG3 PRO 28 1HG PRO 28 -7.545 -8.038 1.576
185 HD2 PRO 28 2HD PRO 28 -6.457 -6.829 -0.655
186 HD3 PRO 28 1HD PRO 28 -5.840 -8.319 0.086
187 H LEU 29 H LEU 29 -11.065 -9.048 -1.208
188 HA LEU 29 HA LEU 29 -11.577 -7.325 -3.465
189 HB2 LEU 29 2HB LEU 29 -13.441 -8.529 -1.416
190 HB3 LEU 29 1HB LEU 29 -13.959 -7.630 -2.827
191 HG LEU 29 HG LEU 29 -12.423 -10.228 -2.912
192 HD11 LEU 29 1HD1 LEU 29 -15.345 -9.668 -3.400
193 HD12 LEU 29 2HD1 LEU 29 -14.670 -10.542 -2.024
194 HD13 LEU 29 3HD1 LEU 29 -14.534 -11.213 -3.650
195 HD21 LEU 29 3HD2 LEU 29 -12.984 -10.203 -5.292
196 HD22 LEU 29 1HD2 LEU 29 -12.013 -8.798 -4.849
197 HD23 LEU 29 2HD2 LEU 29 -13.750 -8.626 -5.098
198 H ARG 30 H ARG 30 -10.034 -6.098 -1.483
199 HA ARG 30 HA ARG 30 -11.721 -3.819 -0.821
200 HB2 ARG 30 2HB ARG 30 -10.140 -5.416 1.189
201 HB3 ARG 30 1HB ARG 30 -10.514 -3.721 1.453
202 HG2 ARG 30 2HG ARG 30 -12.454 -6.003 1.185
203 HG3 ARG 30 1HG ARG 30 -12.134 -5.014 2.611
204 HD2 ARG 30 2HD ARG 30 -12.973 -3.039 1.359
205 HD3 ARG 30 1HD ARG 30 -13.406 -4.114 0.030
206 HE ARG 30 HE ARG 30 -14.651 -4.076 2.693
207 HH11 ARG 30 1HH1 ARG 30 -14.644 -5.117 -0.651
208 HH12 ARG 30 2HH1 ARG 30 -16.298 -5.642 -0.624
209 HH21 ARG 30 1HH2 ARG 30 -16.834 -4.781 2.737
210 HH22 ARG 30 2HH2 ARG 30 -17.543 -5.456 1.309
211 H ALA 31 H ALA 31 -10.585 -1.888 -0.828
212 HA ALA 31 HA ALA 31 -8.076 -1.955 -2.217
213 HB1 ALA 31 1HB ALA 31 -8.273 0.467 -2.299
214 HB2 ALA 31 2HB ALA 31 -9.623 0.408 -1.164
215 HB3 ALA 31 3HB ALA 31 -9.790 -0.299 -2.770
216 H THR 32 H THR 32 -7.077 -3.155 -0.365
217 HA THR 32 HA THR 32 -6.091 -1.340 1.731
218 HB THR 32 HB THR 32 -5.741 -4.338 1.688
219 HG1 THR 32 1HG THR 32 -7.643 -4.215 3.178
220 HG21 THR 32 3HG2 THR 32 -4.351 -3.094 3.266
221 HG22 THR 32 1HG2 THR 32 -5.568 -4.041 4.123
222 HG23 THR 32 2HG2 THR 32 -5.784 -2.302 3.922
223 H CYS 33 H CYS 33 -3.966 -0.780 1.765
224 HA CYS 33 HA CYS 33 -2.367 -1.321 -0.521
225 HB2 CYS 33 2HB CYS 33 -1.198 -0.218 2.002
226 HB3 CYS 33 1HB CYS 33 -0.847 0.209 0.332
227 H THR 34 H THR 34 -1.225 -3.012 -0.913
228 HA THR 34 HA THR 34 0.055 -4.462 1.309
229 HB THR 34 HB THR 34 -0.901 -5.802 -1.220
230 HG1 THR 34 1HG THR 34 -2.866 -5.808 -0.433
231 HG21 THR 34 3HG2 THR 34 -0.210 -6.866 1.522
232 HG22 THR 34 1HG2 THR 34 0.804 -6.980 0.084
233 HG23 THR 34 2HG2 THR 34 -0.739 -7.832 0.145
234 H CYS 35 H CYS 35 2.210 -4.733 1.066
235 HA CYS 35 HA CYS 35 3.361 -3.887 -1.504
236 HB2 CYS 35 2HB CYS 35 4.413 -3.820 1.317
237 HB3 CYS 35 1HB CYS 35 5.471 -3.616 -0.074
238 H GLY 36 H GLY 36 5.551 -4.914 -1.973
239 HA2 GLY 36 2HA GLY 36 5.205 -7.691 -2.339
240 HA3 GLY 36 1HA GLY 36 6.696 -6.801 -2.608
241 H LYS 37 H LYS 37 6.528 -5.886 0.240
242 HA LYS 37 HA LYS 37 7.436 -8.370 1.523
243 HB2 LYS 37 2HB LYS 37 8.589 -5.585 1.775
244 HB3 LYS 37 1HB LYS 37 9.008 -6.912 2.848
245 HG2 LYS 37 2HG LYS 37 9.506 -6.770 -0.118
246 HG3 LYS 37 1HG LYS 37 10.710 -6.656 1.166
247 HD2 LYS 37 2HD LYS 37 8.984 -9.067 0.595
248 HD3 LYS 37 1HD LYS 37 10.671 -8.882 0.115
249 HE2 LYS 37 2HE LYS 37 11.373 -8.803 2.414
250 HE3 LYS 37 1HE LYS 37 9.699 -8.791 2.968
251 HZ1 LYS 37 3HZ LYS 37 9.439 -11.013 1.973
252 HZ2 LYS 37 1HZ LYS 37 10.608 -10.984 3.197
253 HZ3 LYS 37 2HZ LYS 37 11.082 -11.019 1.574
254 H GLN 38 H GLN 38 4.841 -7.648 1.624
255 HA GLN 38 HA GLN 38 3.136 -7.547 3.110
256 HB2 GLN 38 2HB GLN 38 4.583 -8.621 4.776
257 HB3 GLN 38 1HB GLN 38 5.275 -7.062 5.197
258 HG2 GLN 38 2HG GLN 38 2.995 -6.331 5.900
259 HG3 GLN 38 1HG GLN 38 2.451 -7.988 5.648
260 HE21 GLN 38 1HE2 GLN 38 3.115 -9.589 7.056
261 HE22 GLN 38 2HE2 GLN 38 3.850 -9.240 8.578
Start of MODEL 13
1 H1 GLY 1 1HT GLY 1 -10.180 1.665 -3.277
2 H2 GLY 1 2HT GLY 1 -9.081 2.882 -2.848
3 H3 GLY 1 3HT GLY 1 -10.625 2.853 -2.155
4 HA2 GLY 1 1HA GLY 1 -10.090 0.701 -1.109
5 HA3 GLY 1 2HA GLY 1 -8.451 0.889 -1.724
6 H PHE 2 H PHE 2 -7.610 0.922 0.400
7 HA PHE 2 HA PHE 2 -8.427 2.606 2.464
8 HB2 PHE 2 2HB PHE 2 -6.792 0.738 2.688
9 HB3 PHE 2 1HB PHE 2 -5.597 1.722 1.853
10 HD1 PHE 2 2HD PHE 2 -7.791 1.712 4.853
11 HD2 PHE 2 1HD PHE 2 -4.199 3.121 3.058
12 HE1 PHE 2 2HE PHE 2 -7.107 2.695 7.002
13 HE2 PHE 2 1HE PHE 2 -3.507 4.105 5.204
14 HZ PHE 2 HZ PHE 2 -4.962 3.893 7.179
15 H GLY 3 H GLY 3 -5.666 3.139 0.271
16 HA2 GLY 3 2HA GLY 3 -6.084 6.040 0.643
17 HA3 GLY 3 1HA GLY 3 -4.508 5.305 0.376
18 H CYS 4 H CYS 4 -4.951 3.611 -1.663
19 HA CYS 4 HA CYS 4 -4.919 5.294 -3.922
20 HB2 CYS 4 2HB CYS 4 -5.414 2.480 -4.491
21 HB3 CYS 4 1HB CYS 4 -4.009 3.473 -4.878
22 HA PRO 5 HA PRO 5 -5.143 5.295 -5.865
23 HB2 PRO 5 2HB PRO 5 -6.317 6.394 -8.001
24 HB3 PRO 5 1HB PRO 5 -6.226 4.642 -7.797
25 HG2 PRO 5 2HG PRO 5 -8.544 6.460 -7.500
26 HG3 PRO 5 1HG PRO 5 -8.506 4.749 -7.950
27 HD2 PRO 5 2HD PRO 5 -9.070 5.867 -5.385
28 HD3 PRO 5 1HD PRO 5 -8.934 4.151 -5.813
29 H PHE 6 H PHE 6 -7.618 7.095 -4.455
30 HA PHE 6 HA PHE 6 -7.149 9.709 -5.307
31 HB2 PHE 6 2HB PHE 6 -9.062 8.840 -3.871
32 HB3 PHE 6 1HB PHE 6 -7.961 8.940 -2.503
33 HD1 PHE 6 1HD PHE 6 -8.178 11.332 -5.322
34 HD2 PHE 6 2HD PHE 6 -9.027 10.584 -1.219
35 HE1 PHE 6 1HE PHE 6 -8.778 13.699 -5.019
36 HE2 PHE 6 2HE PHE 6 -9.626 12.949 -0.908
37 HZ PHE 6 HZ PHE 6 -9.502 14.511 -2.809
38 H ASN 7 H ASN 7 -6.009 8.286 -2.230
39 HA ASN 7 HA ASN 7 -3.746 10.168 -2.346
40 HB2 ASN 7 2HB ASN 7 -5.164 8.911 0.005
41 HB3 ASN 7 1HB ASN 7 -3.579 9.662 0.162
42 HD21 ASN 7 1HD2 ASN 7 -4.036 11.417 1.350
43 HD22 ASN 7 2HD2 ASN 7 -5.154 12.653 0.871
44 H GLU 8 H GLU 8 -3.596 7.956 -3.896
45 HA GLU 8 HA GLU 8 -2.474 5.684 -2.682
46 HB2 GLU 8 2HB GLU 8 -3.357 5.728 -4.998
47 HB3 GLU 8 1HB GLU 8 -1.978 6.707 -5.481
48 HG2 GLU 8 2HG GLU 8 -0.469 4.954 -5.159
49 HG3 GLU 8 1HG GLU 8 -1.617 4.027 -4.196
50 H ASN 9 H ASN 9 -1.048 8.678 -3.837
51 HA ASN 9 HA ASN 9 1.647 7.940 -3.733
52 HB2 ASN 9 2HB ASN 9 0.171 10.525 -3.594
53 HB3 ASN 9 1HB ASN 9 1.851 10.524 -3.065
54 HD21 ASN 9 1HD2 ASN 9 0.614 11.808 -5.374
55 HD22 ASN 9 2HD2 ASN 9 1.457 11.208 -6.757
56 H GLU 10 H GLU 10 -0.520 9.112 -1.197
57 HA GLU 10 HA GLU 10 1.508 9.277 0.802
58 HB2 GLU 10 2HB GLU 10 -1.498 9.087 1.050
59 HB3 GLU 10 1HB GLU 10 -0.403 9.422 2.386
60 HG2 GLU 10 2HG GLU 10 0.332 11.466 1.264
61 HG3 GLU 10 1HG GLU 10 -0.784 11.134 -0.060
62 H CYS 11 H CYS 11 -0.971 6.892 -0.032
63 HA CYS 11 HA CYS 11 -0.428 5.032 1.995
64 HB2 CYS 11 2HB CYS 11 -2.383 4.580 0.826
65 HB3 CYS 11 1HB CYS 11 -1.651 4.899 -0.736
66 H HIS 12 H HIS 12 0.835 5.306 -1.280
67 HA HIS 12 HA HIS 12 2.597 3.126 -1.229
68 HB2 HIS 12 2HB HIS 12 1.790 4.568 -3.212
69 HB3 HIS 12 1HB HIS 12 3.089 5.667 -2.776
70 HD1 HIS 12 1HD HIS 12 2.381 2.760 -4.799
71 HD2 HIS 12 2HD HIS 12 5.716 4.330 -2.885
72 HE1 HIS 12 1HE HIS 12 4.368 1.671 -5.896
73 HE2 HIS 12 2HE HIS 12 6.377 2.732 -4.805
74 H ALA 13 H ALA 13 3.127 6.572 -0.504
75 HA ALA 13 HA ALA 13 5.869 6.407 0.065
76 HB1 ALA 13 1HB ALA 13 3.844 8.319 1.225
77 HB2 ALA 13 2HB ALA 13 4.706 8.533 -0.299
78 HB3 ALA 13 3HB ALA 13 5.594 8.533 1.226
79 H HIS 14 H HIS 14 3.027 6.102 2.166
80 HA HIS 14 HA HIS 14 4.332 5.825 4.618
81 HB2 HIS 14 2HB HIS 14 1.885 6.029 4.413
82 HB3 HIS 14 1HB HIS 14 1.807 4.429 3.699
83 HD1 HIS 14 1HD HIS 14 3.634 5.581 6.840
84 HD2 HIS 14 2HD HIS 14 0.734 2.858 5.626
85 HE1 HIS 14 1HE HIS 14 3.118 4.191 8.873
86 HE2 HIS 14 2HE HIS 14 1.413 2.507 8.097
87 H CYS 15 H CYS 15 3.325 3.376 2.296
88 HA CYS 15 HA CYS 15 4.256 1.101 3.576
89 HB2 CYS 15 2HB CYS 15 2.907 0.863 1.618
90 HB3 CYS 15 1HB CYS 15 4.052 1.775 0.643
91 H LEU 16 H LEU 16 5.947 3.281 1.419
92 HA LEU 16 HA LEU 16 8.415 1.922 1.364
93 HB2 LEU 16 2HB LEU 16 7.402 4.588 0.626
94 HB3 LEU 16 1HB LEU 16 9.115 4.515 0.985
95 HG LEU 16 HG LEU 16 9.454 2.852 -0.753
96 HD11 LEU 16 1HD1 LEU 16 6.485 3.055 -1.232
97 HD12 LEU 16 2HD1 LEU 16 7.327 1.672 -0.534
98 HD13 LEU 16 3HD1 LEU 16 7.634 2.139 -2.208
99 HD21 LEU 16 3HD2 LEU 16 9.561 5.171 -1.435
100 HD22 LEU 16 1HD2 LEU 16 7.816 5.201 -1.694
101 HD23 LEU 16 2HD2 LEU 16 8.842 4.200 -2.721
102 H SER 17 H SER 17 6.977 4.078 3.673
103 HA SER 17 HA SER 17 9.399 4.763 5.031
104 HB2 SER 17 2HB SER 17 6.629 4.880 6.218
105 HB3 SER 17 1HB SER 17 8.029 5.874 6.618
106 HG SER 17 HG SER 17 7.279 6.009 3.976
107 H ILE 18 H ILE 18 7.411 1.959 5.019
108 HA ILE 18 HA ILE 18 8.312 1.198 7.701
109 HB ILE 18 HB ILE 18 6.855 -0.919 6.403
110 HG12 ILE 18 2HG1 ILE 18 5.354 1.700 6.611
111 HG13 ILE 18 1HG1 ILE 18 5.879 0.981 5.093
112 HG21 ILE 18 1HG2 ILE 18 6.096 0.834 8.735
113 HG22 ILE 18 2HG2 ILE 18 7.190 -0.546 8.834
114 HG23 ILE 18 3HG2 ILE 18 5.502 -0.790 8.385
115 HD11 ILE 18 3HD1 ILE 18 3.534 0.533 5.525
116 HD12 ILE 18 1HD1 ILE 18 3.953 -0.248 7.051
117 HD13 ILE 18 2HD1 ILE 18 4.473 -0.961 5.523
118 H GLY 19 H GLY 19 10.043 1.427 5.286
119 HA2 GLY 19 2HA GLY 19 12.067 0.325 4.878
120 HA3 GLY 19 1HA GLY 19 11.433 -1.097 5.691
121 H ARG 20 H ARG 20 8.957 -0.692 3.880
122 HA ARG 20 HA ARG 20 9.748 -2.609 1.938
123 HB2 ARG 20 2HB ARG 20 7.235 -1.003 2.345
124 HB3 ARG 20 1HB ARG 20 7.430 -2.081 0.970
125 HG2 ARG 20 2HG ARG 20 6.348 -3.450 2.447
126 HG3 ARG 20 1HG ARG 20 8.029 -3.843 2.804
127 HD2 ARG 20 2HD ARG 20 8.018 -2.510 4.764
128 HD3 ARG 20 1HD ARG 20 6.487 -1.754 4.326
129 HE ARG 20 HE ARG 20 5.607 -4.184 4.560
130 HH11 ARG 20 1HH1 ARG 20 8.088 -2.691 6.560
131 HH12 ARG 20 2HH1 ARG 20 7.730 -3.679 7.939
132 HH21 ARG 20 1HH2 ARG 20 5.133 -5.464 6.369
133 HH22 ARG 20 2HH2 ARG 20 6.051 -5.256 7.835
134 H LYS 21 H LYS 21 9.559 -2.326 -0.415
135 HA LYS 21 HA LYS 21 10.572 0.311 -1.192
136 HB2 LYS 21 2HB LYS 21 10.963 -2.402 -2.437
137 HB3 LYS 21 1HB LYS 21 11.471 -0.905 -3.211
138 HG2 LYS 21 2HG LYS 21 12.413 -1.834 -0.505
139 HG3 LYS 21 1HG LYS 21 13.295 -2.064 -2.016
140 HD2 LYS 21 2HD LYS 21 13.969 0.088 -2.097
141 HD3 LYS 21 1HD LYS 21 12.428 0.696 -1.489
142 HE2 LYS 21 2HE LYS 21 14.375 -0.728 0.296
143 HE3 LYS 21 1HE LYS 21 14.513 0.999 -0.023
144 HZ1 LYS 21 3HZ LYS 21 12.523 -0.452 1.546
145 HZ2 LYS 21 1HZ LYS 21 11.961 0.877 0.653
146 HZ3 LYS 21 2HZ LYS 21 13.193 1.082 1.794
147 H PHE 22 H PHE 22 8.085 -1.986 -1.791
148 HA PHE 22 HA PHE 22 6.712 -0.038 -3.463
149 HB2 PHE 22 2HB PHE 22 6.472 -2.858 -4.369
150 HB3 PHE 22 1HB PHE 22 6.324 -1.374 -5.289
151 HD1 PHE 22 2HD PHE 22 8.324 -0.222 -6.130
152 HD2 PHE 22 1HD PHE 22 8.568 -3.992 -4.166
153 HE1 PHE 22 2HE PHE 22 10.587 -0.546 -7.040
154 HE2 PHE 22 1HE PHE 22 10.831 -4.322 -5.075
155 HZ PHE 22 HZ PHE 22 11.843 -2.598 -6.513
156 H GLY 23 H GLY 23 4.445 -0.362 -3.530
157 HA2 GLY 23 2HA GLY 23 2.962 -2.378 -2.413
158 HA3 GLY 23 1HA GLY 23 3.398 -1.342 -1.061
159 H PHE 24 H PHE 24 0.789 -1.926 -2.209
160 HA PHE 24 HA PHE 24 -0.309 0.683 -2.157
161 HB2 PHE 24 2HB PHE 24 -1.320 0.691 -4.426
162 HB3 PHE 24 1HB PHE 24 0.434 0.831 -4.470
163 HD1 PHE 24 2HD PHE 24 1.810 -1.044 -5.253
164 HD2 PHE 24 1HD PHE 24 -2.441 -1.209 -5.349
165 HE1 PHE 24 2HE PHE 24 1.922 -2.947 -6.808
166 HE2 PHE 24 1HE PHE 24 -2.337 -3.110 -6.907
167 HZ PHE 24 HZ PHE 24 -0.153 -3.982 -7.637
168 H CYS 25 H CYS 25 -2.789 0.376 -3.000
169 HA CYS 25 HA CYS 25 -3.916 -1.440 -1.185
170 HB2 CYS 25 2HB CYS 25 -5.251 -0.196 -3.600
171 HB3 CYS 25 1HB CYS 25 -6.060 -0.855 -2.181
172 H ALA 26 H ALA 26 -3.757 -3.563 -1.316
173 HA ALA 26 HA ALA 26 -4.432 -4.861 -3.864
174 HB1 ALA 26 1HB ALA 26 -1.991 -4.845 -3.687
175 HB2 ALA 26 2HB ALA 26 -2.635 -6.483 -3.577
176 HB3 ALA 26 3HB ALA 26 -2.100 -5.648 -2.120
177 H GLY 27 H GLY 27 -6.095 -6.153 -3.554
178 HA2 GLY 27 2HA GLY 27 -6.536 -8.331 -2.214
179 HA3 GLY 27 1HA GLY 27 -6.613 -7.206 -0.863
180 HA PRO 28 HA PRO 28 -10.416 -6.897 -4.054
181 HB2 PRO 28 2HB PRO 28 -11.105 -9.731 -3.472
182 HB3 PRO 28 1HB PRO 28 -11.286 -8.812 -4.970
183 HG2 PRO 28 2HG PRO 28 -9.352 -10.622 -4.717
184 HG3 PRO 28 1HG PRO 28 -9.060 -9.091 -5.565
185 HD2 PRO 28 2HD PRO 28 -8.239 -9.923 -2.812
186 HD3 PRO 28 1HD PRO 28 -7.350 -8.965 -4.015
187 H LEU 29 H LEU 29 -10.360 -9.109 -1.255
188 HA LEU 29 HA LEU 29 -12.813 -7.862 -0.267
189 HB2 LEU 29 2HB LEU 29 -11.338 -10.314 0.691
190 HB3 LEU 29 1HB LEU 29 -12.854 -9.728 1.348
191 HG LEU 29 HG LEU 29 -12.467 -10.670 -1.495
192 HD11 LEU 29 1HD1 LEU 29 -13.731 -12.063 0.860
193 HD12 LEU 29 2HD1 LEU 29 -12.211 -12.505 0.084
194 HD13 LEU 29 3HD1 LEU 29 -13.728 -12.646 -0.804
195 HD21 LEU 29 3HD2 LEU 29 -14.910 -10.624 -1.583
196 HD22 LEU 29 1HD2 LEU 29 -14.251 -9.022 -1.250
197 HD23 LEU 29 2HD2 LEU 29 -14.960 -9.974 0.055
198 H ARG 30 H ARG 30 -10.853 -6.063 -0.074
199 HA ARG 30 HA ARG 30 -10.744 -5.480 2.682
200 HB2 ARG 30 2HB ARG 30 -8.914 -7.327 2.294
201 HB3 ARG 30 1HB ARG 30 -7.978 -5.983 1.651
202 HG2 ARG 30 2HG ARG 30 -7.542 -6.479 4.042
203 HG3 ARG 30 1HG ARG 30 -8.073 -4.825 3.736
204 HD2 ARG 30 2HD ARG 30 -9.131 -5.894 5.726
205 HD3 ARG 30 1HD ARG 30 -10.277 -5.313 4.519
206 HE ARG 30 HE ARG 30 -10.475 -7.658 3.770
207 HH11 ARG 30 1HH1 ARG 30 -9.260 -7.001 6.989
208 HH12 ARG 30 2HH1 ARG 30 -9.732 -8.540 7.625
209 HH21 ARG 30 1HH2 ARG 30 -11.103 -9.684 4.596
210 HH22 ARG 30 2HH2 ARG 30 -10.788 -10.078 6.254
211 H ALA 31 H ALA 31 -8.947 -5.021 -0.342
212 HA ALA 31 HA ALA 31 -8.333 -3.199 -1.525
213 HB1 ALA 31 1HB ALA 31 -10.732 -2.723 -1.495
214 HB2 ALA 31 2HB ALA 31 -9.772 -1.245 -1.497
215 HB3 ALA 31 3HB ALA 31 -10.528 -1.802 -0.005
216 H THR 32 H THR 32 -7.268 -3.657 1.306
217 HA THR 32 HA THR 32 -6.500 -0.989 2.132
218 HB THR 32 HB THR 32 -5.077 -2.358 3.802
219 HG1 THR 32 1HG THR 32 -5.110 -4.374 2.888
220 HG21 THR 32 3HG2 THR 32 -8.091 -2.588 3.837
221 HG22 THR 32 1HG2 THR 32 -7.151 -1.213 4.418
222 HG23 THR 32 2HG2 THR 32 -7.028 -2.772 5.233
223 H CYS 33 H CYS 33 -4.134 -0.579 2.577
224 HA CYS 33 HA CYS 33 -2.661 -1.018 0.163
225 HB2 CYS 33 2HB CYS 33 -1.815 0.245 2.764
226 HB3 CYS 33 1HB CYS 33 -0.865 0.257 1.291
227 H THR 34 H THR 34 -1.457 -2.645 -0.266
228 HA THR 34 HA THR 34 -0.218 -4.190 1.910
229 HB THR 34 HB THR 34 -1.099 -5.411 -0.701
230 HG1 THR 34 1HG THR 34 -3.063 -5.801 0.151
231 HG21 THR 34 3HG2 THR 34 -0.497 -6.595 2.013
232 HG22 THR 34 1HG2 THR 34 0.562 -6.651 0.604
233 HG23 THR 34 2HG2 THR 34 -0.985 -7.499 0.580
234 H CYS 35 H CYS 35 1.926 -4.406 1.738
235 HA CYS 35 HA CYS 35 3.221 -3.259 -0.596
236 HB2 CYS 35 2HB CYS 35 4.406 -4.208 2.015
237 HB3 CYS 35 1HB CYS 35 5.251 -3.305 0.762
238 H GLY 36 H GLY 36 5.160 -4.315 -1.489
239 HA2 GLY 36 2HA GLY 36 4.561 -6.916 -2.420
240 HA3 GLY 36 1HA GLY 36 6.070 -6.059 -2.666
241 H LYS 37 H LYS 37 6.060 -5.896 0.414
242 HA LYS 37 HA LYS 37 7.008 -8.628 0.929
243 HB2 LYS 37 2HB LYS 37 8.361 -6.014 1.555
244 HB3 LYS 37 1HB LYS 37 8.716 -7.468 2.481
245 HG2 LYS 37 2HG LYS 37 8.968 -7.299 -0.513
246 HG3 LYS 37 1HG LYS 37 10.298 -6.990 0.607
247 HD2 LYS 37 2HD LYS 37 10.524 -9.184 1.156
248 HD3 LYS 37 1HD LYS 37 8.799 -9.515 0.982
249 HE2 LYS 37 2HE LYS 37 10.435 -8.887 -1.436
250 HE3 LYS 37 1HE LYS 37 10.518 -10.500 -0.727
251 HZ1 LYS 37 3HZ LYS 37 8.168 -10.758 -1.023
252 HZ2 LYS 37 1HZ LYS 37 8.839 -10.290 -2.503
253 HZ3 LYS 37 2HZ LYS 37 7.993 -9.163 -1.561
254 H GLN 38 H GLN 38 4.460 -7.399 1.453
255 HA GLN 38 HA GLN 38 2.874 -7.268 3.055
256 HB2 GLN 38 2HB GLN 38 4.939 -8.841 4.599
257 HB3 GLN 38 1HB GLN 38 3.350 -8.458 5.248
258 HG2 GLN 38 2HG GLN 38 2.325 -9.640 3.340
259 HG3 GLN 38 1HG GLN 38 3.937 -10.084 2.783
260 HE21 GLN 38 1HE2 GLN 38 3.545 -12.272 2.982
261 HE22 GLN 38 2HE2 GLN 38 3.426 -13.062 4.512
Start of MODEL 14
1 H1 GLY 1 1HT GLY 1 -11.528 2.311 1.775
2 H2 GLY 1 2HT GLY 1 -10.887 3.875 1.730
3 H3 GLY 1 3HT GLY 1 -10.923 3.021 3.185
4 HA2 GLY 1 1HA GLY 1 -9.390 1.373 2.253
5 HA3 GLY 1 2HA GLY 1 -9.300 2.359 0.797
6 H PHE 2 H PHE 2 -6.980 1.834 2.077
7 HA PHE 2 HA PHE 2 -6.401 3.984 3.930
8 HB2 PHE 2 2HB PHE 2 -5.437 1.621 4.077
9 HB3 PHE 2 1HB PHE 2 -4.394 2.078 2.734
10 HD1 PHE 2 2HD PHE 2 -5.151 2.609 6.272
11 HD2 PHE 2 1HD PHE 2 -2.599 3.665 3.034
12 HE1 PHE 2 2HE PHE 2 -3.567 3.625 7.858
13 HE2 PHE 2 1HE PHE 2 -1.013 4.684 4.614
14 HZ PHE 2 HZ PHE 2 -1.494 4.664 7.029
15 H GLY 3 H GLY 3 -4.822 2.911 0.910
16 HA2 GLY 3 2HA GLY 3 -4.104 5.726 0.431
17 HA3 GLY 3 1HA GLY 3 -3.241 4.339 -0.217
18 H CYS 4 H CYS 4 -4.103 3.218 -2.007
19 HA CYS 4 HA CYS 4 -5.538 4.889 -3.826
20 HB2 CYS 4 2HB CYS 4 -5.489 2.578 -5.141
21 HB3 CYS 4 1HB CYS 4 -4.041 3.567 -4.972
22 HA PRO 5 HA PRO 5 -6.678 4.133 -5.827
23 HB2 PRO 5 2HB PRO 5 -8.995 4.963 -6.882
24 HB3 PRO 5 1HB PRO 5 -8.546 3.256 -6.847
25 HG2 PRO 5 2HG PRO 5 -10.422 4.766 -5.082
26 HG3 PRO 5 1HG PRO 5 -10.579 3.130 -5.744
27 HD2 PRO 5 2HD PRO 5 -9.756 3.702 -3.179
28 HD3 PRO 5 1HD PRO 5 -9.373 2.203 -4.047
29 H PHE 6 H PHE 6 -7.873 5.679 -3.174
30 HA PHE 6 HA PHE 6 -8.439 8.278 -4.066
31 HB2 PHE 6 2HB PHE 6 -7.224 7.525 -1.400
32 HB3 PHE 6 1HB PHE 6 -8.157 8.971 -1.769
33 HD1 PHE 6 2HD PHE 6 -10.594 8.690 -2.413
34 HD2 PHE 6 1HD PHE 6 -8.275 5.572 -0.675
35 HE1 PHE 6 2HE PHE 6 -12.659 7.523 -1.756
36 HE2 PHE 6 1HE PHE 6 -10.335 4.400 -0.018
37 HZ PHE 6 HZ PHE 6 -12.530 5.376 -0.557
38 H ASN 7 H ASN 7 -5.463 7.296 -2.324
39 HA ASN 7 HA ASN 7 -3.959 8.929 -4.237
40 HB2 ASN 7 2HB ASN 7 -4.410 10.291 -2.175
41 HB3 ASN 7 1HB ASN 7 -3.454 9.122 -1.266
42 HD21 ASN 7 1HD2 ASN 7 -2.200 11.124 -0.806
43 HD22 ASN 7 2HD2 ASN 7 -0.946 11.546 -1.928
44 H GLU 8 H GLU 8 -2.664 7.604 -5.196
45 HA GLU 8 HA GLU 8 -1.737 5.157 -4.200
46 HB2 GLU 8 2HB GLU 8 -1.797 6.080 -6.642
47 HB3 GLU 8 1HB GLU 8 -0.216 6.741 -6.256
48 HG2 GLU 8 2HG GLU 8 -0.780 3.839 -5.812
49 HG3 GLU 8 1HG GLU 8 -0.408 4.437 -7.426
50 H ASN 9 H ASN 9 -0.390 8.400 -4.187
51 HA ASN 9 HA ASN 9 2.173 7.815 -3.234
52 HB2 ASN 9 2HB ASN 9 0.421 10.225 -3.240
53 HB3 ASN 9 1HB ASN 9 1.793 10.233 -2.139
54 HD21 ASN 9 1HD2 ASN 9 1.113 11.689 -4.695
55 HD22 ASN 9 2HD2 ASN 9 2.523 11.497 -5.674
56 H GLU 10 H GLU 10 -0.880 8.274 -1.493
57 HA GLU 10 HA GLU 10 0.261 8.265 1.106
58 HB2 GLU 10 2HB GLU 10 -2.392 8.311 -0.028
59 HB3 GLU 10 1HB GLU 10 -2.323 7.140 1.281
60 HG2 GLU 10 2HG GLU 10 -2.995 9.176 2.246
61 HG3 GLU 10 1HG GLU 10 -1.305 8.953 2.698
62 H CYS 11 H CYS 11 -1.193 5.745 -0.910
63 HA CYS 11 HA CYS 11 -0.789 3.622 0.932
64 HB2 CYS 11 2HB CYS 11 -2.290 3.612 -1.112
65 HB3 CYS 11 1HB CYS 11 -0.842 3.410 -2.087
66 H HIS 12 H HIS 12 1.101 4.845 -1.762
67 HA HIS 12 HA HIS 12 3.214 3.009 -1.688
68 HB2 HIS 12 2HB HIS 12 2.492 4.992 -3.351
69 HB3 HIS 12 1HB HIS 12 3.769 5.823 -2.469
70 HD1 HIS 12 1HD HIS 12 3.265 3.822 -5.371
71 HD2 HIS 12 2HD HIS 12 6.244 4.123 -2.481
72 HE1 HIS 12 1HE HIS 12 5.338 2.825 -6.409
73 HE2 HIS 12 2HE HIS 12 7.153 3.128 -4.689
74 H ALA 13 H ALA 13 2.908 6.253 -0.237
75 HA ALA 13 HA ALA 13 5.423 6.309 1.001
76 HB1 ALA 13 1HB ALA 13 4.527 8.090 2.404
77 HB2 ALA 13 2HB ALA 13 2.887 7.674 1.905
78 HB3 ALA 13 3HB ALA 13 4.035 8.309 0.725
79 H HIS 14 H HIS 14 2.265 5.168 2.158
80 HA HIS 14 HA HIS 14 2.923 4.554 4.782
81 HB2 HIS 14 2HB HIS 14 0.647 4.265 4.040
82 HB3 HIS 14 1HB HIS 14 1.126 3.059 2.858
83 HD1 HIS 14 1HD HIS 14 1.303 3.437 6.656
84 HD2 HIS 14 2HD HIS 14 0.727 0.534 3.736
85 HE1 HIS 14 1HE HIS 14 0.919 1.287 7.905
86 HE2 HIS 14 2HE HIS 14 0.719 -0.475 6.115
87 H CYS 15 H CYS 15 3.028 2.366 1.997
88 HA CYS 15 HA CYS 15 4.338 0.252 3.255
89 HB2 CYS 15 2HB CYS 15 4.016 1.121 0.431
90 HB3 CYS 15 1HB CYS 15 5.221 -0.119 0.771
91 H LEU 16 H LEU 16 5.655 3.090 1.706
92 HA LEU 16 HA LEU 16 8.377 2.344 1.777
93 HB2 LEU 16 2HB LEU 16 6.818 4.780 1.278
94 HB3 LEU 16 1HB LEU 16 8.408 5.078 1.953
95 HG LEU 16 HG LEU 16 9.502 4.111 0.094
96 HD11 LEU 16 1HD1 LEU 16 8.333 2.917 -1.686
97 HD12 LEU 16 2HD1 LEU 16 6.815 3.084 -0.803
98 HD13 LEU 16 3HD1 LEU 16 8.127 2.118 -0.128
99 HD21 LEU 16 3HD2 LEU 16 7.103 5.663 -0.867
100 HD22 LEU 16 1HD2 LEU 16 8.532 5.316 -1.841
101 HD23 LEU 16 2HD2 LEU 16 8.673 6.317 -0.395
102 H SER 17 H SER 17 6.220 3.670 4.162
103 HA SER 17 HA SER 17 8.247 4.608 5.944
104 HB2 SER 17 2HB SER 17 5.379 3.905 6.600
105 HB3 SER 17 1HB SER 17 6.453 4.952 7.527
106 HG SER 17 HG SER 17 5.901 5.546 4.832
107 H ILE 18 H ILE 18 7.041 1.491 5.190
108 HA ILE 18 HA ILE 18 7.974 0.495 7.793
109 HB ILE 18 HB ILE 18 6.941 -1.726 6.565
110 HG12 ILE 18 2HG1 ILE 18 5.159 0.620 5.868
111 HG13 ILE 18 1HG1 ILE 18 6.017 -0.395 4.715
112 HG21 ILE 18 1HG2 ILE 18 6.612 -1.031 8.879
113 HG22 ILE 18 2HG2 ILE 18 5.076 -1.462 8.124
114 HG23 ILE 18 3HG2 ILE 18 5.503 0.235 8.350
115 HD11 ILE 18 3HD1 ILE 18 4.686 -2.312 5.391
116 HD12 ILE 18 1HD1 ILE 18 3.657 -0.980 4.863
117 HD13 ILE 18 2HD1 ILE 18 3.846 -1.319 6.583
118 H GLY 19 H GLY 19 9.616 1.371 5.475
119 HA2 GLY 19 2HA GLY 19 11.794 0.719 4.948
120 HA3 GLY 19 1HA GLY 19 11.445 -0.883 5.571
121 H ARG 20 H ARG 20 8.952 -0.855 3.796
122 HA ARG 20 HA ARG 20 10.059 -2.340 1.674
123 HB2 ARG 20 2HB ARG 20 7.319 -1.167 2.114
124 HB3 ARG 20 1HB ARG 20 7.716 -2.100 0.679
125 HG2 ARG 20 2HG ARG 20 6.784 -3.699 2.041
126 HG3 ARG 20 1HG ARG 20 8.502 -3.900 2.382
127 HD2 ARG 20 2HD ARG 20 8.332 -2.825 4.454
128 HD3 ARG 20 1HD ARG 20 6.780 -2.095 4.048
129 HE ARG 20 HE ARG 20 6.000 -4.575 4.049
130 HH11 ARG 20 1HH1 ARG 20 8.365 -3.146 6.232
131 HH12 ARG 20 2HH1 ARG 20 8.002 -4.242 7.526
132 HH21 ARG 20 1HH2 ARG 20 5.512 -5.987 5.753
133 HH22 ARG 20 2HH2 ARG 20 6.385 -5.859 7.254
134 H LYS 21 H LYS 21 9.757 -1.853 -0.669
135 HA LYS 21 HA LYS 21 10.488 0.941 -1.153
136 HB2 LYS 21 2HB LYS 21 11.827 -1.340 -1.847
137 HB3 LYS 21 1HB LYS 21 10.962 -0.961 -3.331
138 HG2 LYS 21 2HG LYS 21 13.324 -0.017 -3.019
139 HG3 LYS 21 1HG LYS 21 12.062 1.067 -3.605
140 HD2 LYS 21 2HD LYS 21 13.408 2.172 -1.906
141 HD3 LYS 21 1HD LYS 21 11.761 1.932 -1.323
142 HE2 LYS 21 2HE LYS 21 12.975 -0.345 -0.458
143 HE3 LYS 21 1HE LYS 21 14.298 0.815 -0.348
144 HZ1 LYS 21 3HZ LYS 21 12.947 2.220 1.041
145 HZ2 LYS 21 1HZ LYS 21 12.974 0.663 1.705
146 HZ3 LYS 21 2HZ LYS 21 11.608 1.200 0.863
147 H PHE 22 H PHE 22 8.183 -1.466 -1.923
148 HA PHE 22 HA PHE 22 6.623 0.506 -3.381
149 HB2 PHE 22 2HB PHE 22 6.920 -2.277 -4.506
150 HB3 PHE 22 1HB PHE 22 6.081 -0.917 -5.224
151 HD1 PHE 22 2HD PHE 22 7.400 1.023 -6.085
152 HD2 PHE 22 1HD PHE 22 9.219 -2.642 -4.910
153 HE1 PHE 22 2HE PHE 22 9.417 1.621 -7.359
154 HE2 PHE 22 1HE PHE 22 11.240 -2.050 -6.185
155 HZ PHE 22 HZ PHE 22 11.341 0.084 -7.411
156 H GLY 23 H GLY 23 4.386 -0.271 -3.694
157 HA2 GLY 23 2HA GLY 23 3.201 -2.454 -2.546
158 HA3 GLY 23 1HA GLY 23 3.397 -1.314 -1.221
159 H PHE 24 H PHE 24 0.996 -2.376 -2.638
160 HA PHE 24 HA PHE 24 -0.363 0.166 -2.899
161 HB2 PHE 24 2HB PHE 24 -1.381 -0.410 -5.088
162 HB3 PHE 24 1HB PHE 24 0.355 -0.160 -5.200
163 HD1 PHE 24 2HD PHE 24 1.867 -2.093 -5.503
164 HD2 PHE 24 1HD PHE 24 -2.368 -2.514 -5.591
165 HE1 PHE 24 2HE PHE 24 2.111 -4.289 -6.584
166 HE2 PHE 24 1HE PHE 24 -2.131 -4.710 -6.673
167 HZ PHE 24 HZ PHE 24 0.111 -5.600 -7.171
168 H CYS 25 H CYS 25 -2.793 -0.327 -3.351
169 HA CYS 25 HA CYS 25 -3.647 -2.038 -1.265
170 HB2 CYS 25 2HB CYS 25 -5.959 -1.547 -2.359
171 HB3 CYS 25 1HB CYS 25 -5.066 -0.232 -1.604
172 H ALA 26 H ALA 26 -3.917 -4.139 -1.284
173 HA ALA 26 HA ALA 26 -4.774 -5.461 -3.756
174 HB1 ALA 26 1HB ALA 26 -3.139 -7.249 -3.449
175 HB2 ALA 26 2HB ALA 26 -2.465 -6.404 -2.056
176 HB3 ALA 26 3HB ALA 26 -2.340 -5.692 -3.665
177 H GLY 27 H GLY 27 -5.098 -7.939 -3.118
178 HA2 GLY 27 2HA GLY 27 -6.099 -9.513 -1.737
179 HA3 GLY 27 1HA GLY 27 -6.102 -8.329 -0.437
180 HA PRO 28 HA PRO 28 -10.496 -8.454 -1.420
181 HB2 PRO 28 2HB PRO 28 -11.321 -7.187 0.823
182 HB3 PRO 28 1HB PRO 28 -10.852 -8.890 0.818
183 HG2 PRO 28 2HG PRO 28 -9.276 -6.492 1.668
184 HG3 PRO 28 1HG PRO 28 -9.406 -8.080 2.447
185 HD2 PRO 28 2HD PRO 28 -7.294 -7.356 0.891
186 HD3 PRO 28 1HD PRO 28 -7.856 -9.033 1.044
187 H LEU 29 H LEU 29 -12.160 -6.801 -1.734
188 HA LEU 29 HA LEU 29 -11.065 -4.415 -2.887
189 HB2 LEU 29 2HB LEU 29 -13.033 -5.788 -3.759
190 HB3 LEU 29 1HB LEU 29 -13.986 -5.029 -2.499
191 HG LEU 29 HG LEU 29 -13.500 -2.815 -3.475
192 HD11 LEU 29 1HD1 LEU 29 -12.160 -4.390 -5.670
193 HD12 LEU 29 2HD1 LEU 29 -11.346 -3.349 -4.502
194 HD13 LEU 29 3HD1 LEU 29 -12.466 -2.653 -5.674
195 HD21 LEU 29 3HD2 LEU 29 -14.900 -3.065 -5.463
196 HD22 LEU 29 1HD2 LEU 29 -15.529 -4.005 -4.111
197 HD23 LEU 29 2HD2 LEU 29 -14.659 -4.811 -5.416
198 H ARG 30 H ARG 30 -10.310 -4.188 -0.402
199 HA ARG 30 HA ARG 30 -12.126 -2.188 0.785
200 HB2 ARG 30 2HB ARG 30 -10.251 -4.111 2.180
201 HB3 ARG 30 1HB ARG 30 -11.070 -2.779 2.984
202 HG2 ARG 30 2HG ARG 30 -13.232 -3.764 2.435
203 HG3 ARG 30 1HG ARG 30 -12.418 -5.094 1.609
204 HD2 ARG 30 2HD ARG 30 -11.320 -5.705 3.727
205 HD3 ARG 30 1HD ARG 30 -12.199 -4.410 4.538
206 HE ARG 30 HE ARG 30 -14.174 -5.865 3.409
207 HH11 ARG 30 1HH1 ARG 30 -11.471 -6.708 5.461
208 HH12 ARG 30 2HH1 ARG 30 -12.275 -8.054 6.197
209 HH21 ARG 30 1HH2 ARG 30 -15.251 -7.642 4.376
210 HH22 ARG 30 2HH2 ARG 30 -14.435 -8.586 5.578
211 H ALA 31 H ALA 31 -9.510 -2.526 -0.986
212 HA ALA 31 HA ALA 31 -7.705 -1.283 -1.522
213 HB1 ALA 31 1HB ALA 31 -9.291 0.574 -1.453
214 HB2 ALA 31 2HB ALA 31 -7.687 1.075 -0.919
215 HB3 ALA 31 3HB ALA 31 -8.963 0.793 0.266
216 H THR 32 H THR 32 -7.346 -3.157 0.409
217 HA THR 32 HA THR 32 -5.900 -2.108 2.659
218 HB THR 32 HB THR 32 -5.221 -4.763 2.481
219 HG1 THR 32 1HG THR 32 -6.468 -5.302 0.754
220 HG21 THR 32 3HG2 THR 32 -6.164 -3.648 4.446
221 HG22 THR 32 1HG2 THR 32 -7.027 -5.146 4.101
222 HG23 THR 32 2HG2 THR 32 -7.744 -3.595 3.666
223 H CYS 33 H CYS 33 -4.007 -1.096 2.197
224 HA CYS 33 HA CYS 33 -2.410 -1.629 -0.039
225 HB2 CYS 33 2HB CYS 33 -1.692 -0.312 2.567
226 HB3 CYS 33 1HB CYS 33 -0.619 -0.377 1.186
227 H THR 34 H THR 34 -1.108 -3.122 -0.500
228 HA THR 34 HA THR 34 0.182 -4.729 1.606
229 HB THR 34 HB THR 34 -0.455 -5.869 -1.100
230 HG1 THR 34 1HG THR 34 -2.315 -5.024 0.555
231 HG21 THR 34 3HG2 THR 34 -0.439 -7.984 0.151
232 HG22 THR 34 1HG2 THR 34 -0.130 -7.094 1.642
233 HG23 THR 34 2HG2 THR 34 1.074 -7.101 0.353
234 H CYS 35 H CYS 35 2.342 -4.641 1.485
235 HA CYS 35 HA CYS 35 3.538 -3.276 -0.769
236 HB2 CYS 35 2HB CYS 35 5.040 -4.331 1.602
237 HB3 CYS 35 1HB CYS 35 5.408 -2.938 0.590
238 H GLY 36 H GLY 36 5.726 -4.124 -1.526
239 HA2 GLY 36 2HA GLY 36 5.422 -6.456 -2.966
240 HA3 GLY 36 1HA GLY 36 6.977 -5.738 -2.582
241 H LYS 37 H LYS 37 7.152 -6.107 0.120
242 HA LYS 37 HA LYS 37 7.168 -9.040 0.334
243 HB2 LYS 37 2HB LYS 37 8.972 -6.992 1.638
244 HB3 LYS 37 1HB LYS 37 9.001 -8.710 2.002
245 HG2 LYS 37 2HG LYS 37 9.424 -9.019 -0.518
246 HG3 LYS 37 1HG LYS 37 9.835 -7.302 -0.502
247 HD2 LYS 37 2HD LYS 37 11.116 -9.452 1.188
248 HD3 LYS 37 1HD LYS 37 11.827 -8.692 -0.236
249 HE2 LYS 37 2HE LYS 37 11.868 -6.549 0.882
250 HE3 LYS 37 1HE LYS 37 11.035 -7.229 2.280
251 HZ1 LYS 37 3HZ LYS 37 12.943 -8.674 2.659
252 HZ2 LYS 37 1HZ LYS 37 13.403 -7.045 2.685
253 HZ3 LYS 37 2HZ LYS 37 13.744 -7.998 1.330
254 H GLN 38 H GLN 38 4.842 -7.761 0.871
255 HA GLN 38 HA GLN 38 3.189 -7.521 2.393
256 HB2 GLN 38 2HB GLN 38 5.030 -9.289 4.012
257 HB3 GLN 38 1HB GLN 38 3.408 -8.846 4.528
258 HG2 GLN 38 2HG GLN 38 2.521 -9.881 2.459
259 HG3 GLN 38 1HG GLN 38 4.154 -10.417 2.072
260 HE21 GLN 38 1HE2 GLN 38 1.706 -11.946 2.599
261 HE22 GLN 38 2HE2 GLN 38 2.094 -13.018 3.895
Start of MODEL 15
1 H1 GLY 1 1HT GLY 1 -8.616 2.097 -3.232
2 H2 GLY 1 2HT GLY 1 -10.197 1.839 -2.685
3 H3 GLY 1 3HT GLY 1 -9.431 0.664 -3.631
4 HA2 GLY 1 1HA GLY 1 -9.446 -0.037 -1.337
5 HA3 GLY 1 2HA GLY 1 -7.800 0.297 -1.866
6 H PHE 2 H PHE 2 -7.173 0.665 0.322
7 HA PHE 2 HA PHE 2 -8.340 2.464 2.088
8 HB2 PHE 2 2HB PHE 2 -6.516 0.894 2.682
9 HB3 PHE 2 1HB PHE 2 -5.386 1.875 1.755
10 HD1 PHE 2 1HD PHE 2 -7.743 2.051 4.624
11 HD2 PHE 2 2HD PHE 2 -4.228 3.595 2.787
12 HE1 PHE 2 1HE PHE 2 -7.301 3.415 6.623
13 HE2 PHE 2 2HE PHE 2 -3.781 4.962 4.782
14 HZ PHE 2 HZ PHE 2 -5.318 4.873 6.705
15 H GLY 3 H GLY 3 -5.532 3.095 -0.014
16 HA2 GLY 3 2HA GLY 3 -6.320 5.941 -0.031
17 HA3 GLY 3 1HA GLY 3 -4.655 5.380 -0.150
18 H CYS 4 H CYS 4 -4.674 3.475 -1.970
19 HA CYS 4 HA CYS 4 -4.630 4.716 -4.425
20 HB2 CYS 4 2HB CYS 4 -5.226 1.816 -4.396
21 HB3 CYS 4 1HB CYS 4 -3.903 2.690 -5.167
22 HA PRO 5 HA PRO 5 -4.805 4.506 -6.419
23 HB2 PRO 5 2HB PRO 5 -5.854 5.679 -8.568
24 HB3 PRO 5 1HB PRO 5 -5.959 3.931 -8.338
25 HG2 PRO 5 2HG PRO 5 -8.043 6.026 -7.938
26 HG3 PRO 5 1HG PRO 5 -8.213 4.380 -8.569
27 HD2 PRO 5 2HD PRO 5 -8.768 5.201 -5.953
28 HD3 PRO 5 1HD PRO 5 -8.550 3.525 -6.493
29 H PHE 6 H PHE 6 -7.145 6.611 -5.106
30 HA PHE 6 HA PHE 6 -6.211 9.110 -6.009
31 HB2 PHE 6 2HB PHE 6 -7.595 8.415 -3.410
32 HB3 PHE 6 1HB PHE 6 -7.397 10.042 -4.050
33 HD1 PHE 6 1HD PHE 6 -8.503 10.628 -6.228
34 HD2 PHE 6 2HD PHE 6 -9.368 7.046 -4.099
35 HE1 PHE 6 1HE PHE 6 -10.604 10.392 -7.487
36 HE2 PHE 6 2HE PHE 6 -11.469 6.802 -5.355
37 HZ PHE 6 HZ PHE 6 -12.089 8.476 -7.051
38 H ASN 7 H ASN 7 -5.737 7.666 -2.792
39 HA ASN 7 HA ASN 7 -3.310 9.274 -2.485
40 HB2 ASN 7 2HB ASN 7 -5.089 7.798 -0.556
41 HB3 ASN 7 1HB ASN 7 -3.462 8.278 -0.087
42 HD21 ASN 7 1HD2 ASN 7 -4.268 9.649 1.505
43 HD22 ASN 7 2HD2 ASN 7 -4.998 11.170 1.102
44 H GLU 8 H GLU 8 -3.062 7.296 -4.341
45 HA GLU 8 HA GLU 8 -2.148 4.817 -3.372
46 HB2 GLU 8 2HB GLU 8 -2.756 5.499 -5.777
47 HB3 GLU 8 1HB GLU 8 -1.116 6.123 -5.882
48 HG2 GLU 8 2HG GLU 8 -0.196 4.074 -5.996
49 HG3 GLU 8 1HG GLU 8 -1.371 3.366 -4.888
50 H ASN 9 H ASN 9 -0.449 7.819 -4.132
51 HA ASN 9 HA ASN 9 2.154 6.879 -3.587
52 HB2 ASN 9 2HB ASN 9 0.885 9.557 -3.870
53 HB3 ASN 9 1HB ASN 9 2.443 9.487 -3.052
54 HD21 ASN 9 1HD2 ASN 9 1.728 10.668 -5.626
55 HD22 ASN 9 2HD2 ASN 9 2.748 9.905 -6.793
56 H GLU 10 H GLU 10 -0.386 8.134 -1.526
57 HA GLU 10 HA GLU 10 1.234 8.496 0.792
58 HB2 GLU 10 2HB GLU 10 -0.920 9.628 0.564
59 HB3 GLU 10 1HB GLU 10 -1.750 8.080 0.502
60 HG2 GLU 10 2HG GLU 10 -0.943 7.627 2.808
61 HG3 GLU 10 1HG GLU 10 -0.291 9.265 2.848
62 H CYS 11 H CYS 11 -0.866 5.912 -0.381
63 HA CYS 11 HA CYS 11 -0.508 4.139 1.773
64 HB2 CYS 11 2HB CYS 11 -2.274 3.853 0.102
65 HB3 CYS 11 1HB CYS 11 -1.072 3.593 -1.155
66 H HIS 12 H HIS 12 1.236 4.571 -1.266
67 HA HIS 12 HA HIS 12 3.113 2.502 -0.898
68 HB2 HIS 12 2HB HIS 12 2.609 3.807 -3.041
69 HB3 HIS 12 1HB HIS 12 3.632 5.082 -2.390
70 HD1 HIS 12 1HD HIS 12 3.820 2.360 -4.623
71 HD2 HIS 12 2HD HIS 12 6.320 3.829 -1.653
72 HE1 HIS 12 1HE HIS 12 6.106 1.436 -5.142
73 HE2 HIS 12 2HE HIS 12 7.557 2.183 -3.219
74 H ALA 13 H ALA 13 3.131 5.947 -0.060
75 HA ALA 13 HA ALA 13 5.732 6.057 1.010
76 HB1 ALA 13 1HB ALA 13 5.006 8.111 2.116
77 HB2 ALA 13 2HB ALA 13 3.324 7.718 1.760
78 HB3 ALA 13 3HB ALA 13 4.446 8.065 0.445
79 H HIS 14 H HIS 14 2.592 5.285 2.429
80 HA HIS 14 HA HIS 14 3.326 5.073 5.101
81 HB2 HIS 14 2HB HIS 14 0.996 4.849 4.381
82 HB3 HIS 14 1HB HIS 14 1.370 3.337 3.572
83 HD1 HIS 14 1HD HIS 14 1.956 4.609 7.127
84 HD2 HIS 14 2HD HIS 14 0.502 1.286 5.092
85 HE1 HIS 14 1HE HIS 14 1.375 2.926 8.906
86 HE2 HIS 14 2HE HIS 14 0.601 0.887 7.644
87 H CYS 15 H CYS 15 3.208 2.474 2.671
88 HA CYS 15 HA CYS 15 4.428 0.493 4.212
89 HB2 CYS 15 2HB CYS 15 4.050 0.945 1.318
90 HB3 CYS 15 1HB CYS 15 5.364 -0.148 1.738
91 H LEU 16 H LEU 16 5.867 3.002 2.244
92 HA LEU 16 HA LEU 16 8.559 2.257 2.427
93 HB2 LEU 16 2HB LEU 16 7.130 4.856 2.030
94 HB3 LEU 16 1HB LEU 16 8.863 4.852 2.261
95 HG LEU 16 HG LEU 16 7.505 3.258 0.092
96 HD11 LEU 16 1HD1 LEU 16 6.966 5.604 -0.233
97 HD12 LEU 16 2HD1 LEU 16 8.137 5.065 -1.437
98 HD13 LEU 16 3HD1 LEU 16 8.668 6.035 -0.063
99 HD21 LEU 16 3HD2 LEU 16 9.774 2.557 0.708
100 HD22 LEU 16 1HD2 LEU 16 10.351 4.199 0.423
101 HD23 LEU 16 2HD2 LEU 16 9.715 3.242 -0.916
102 H SER 17 H SER 17 6.471 3.985 4.640
103 HA SER 17 HA SER 17 8.485 5.017 6.344
104 HB2 SER 17 2HB SER 17 5.639 4.398 7.139
105 HB3 SER 17 1HB SER 17 6.716 5.609 7.835
106 HG SER 17 HG SER 17 6.291 5.859 5.118
107 H ILE 18 H ILE 18 7.200 1.812 6.038
108 HA ILE 18 HA ILE 18 8.126 1.200 8.757
109 HB ILE 18 HB ILE 18 7.139 -1.181 7.899
110 HG12 ILE 18 2HG1 ILE 18 5.306 0.932 6.746
111 HG13 ILE 18 1HG1 ILE 18 6.336 -0.123 5.783
112 HG21 ILE 18 1HG2 ILE 18 5.520 1.024 9.173
113 HG22 ILE 18 2HG2 ILE 18 6.692 0.009 10.018
114 HG23 ILE 18 3HG2 ILE 18 5.242 -0.713 9.319
115 HD11 ILE 18 3HD1 ILE 18 4.045 -0.918 5.825
116 HD12 ILE 18 1HD1 ILE 18 4.096 -1.010 7.585
117 HD13 ILE 18 2HD1 ILE 18 5.125 -2.067 6.617
118 H GLY 19 H GLY 19 9.561 1.511 5.955
119 HA2 GLY 19 2HA GLY 19 11.815 0.815 5.644
120 HA3 GLY 19 1HA GLY 19 11.463 -0.644 6.555
121 H ARG 20 H ARG 20 8.967 -0.080 4.428
122 HA ARG 20 HA ARG 20 9.923 -2.201 2.680
123 HB2 ARG 20 2HB ARG 20 7.266 -0.807 2.440
124 HB3 ARG 20 1HB ARG 20 7.694 -2.441 1.953
125 HG2 ARG 20 2HG ARG 20 7.739 -1.630 4.835
126 HG3 ARG 20 1HG ARG 20 6.240 -2.111 4.043
127 HD2 ARG 20 2HD ARG 20 7.056 -4.068 5.048
128 HD3 ARG 20 1HD ARG 20 7.472 -4.222 3.342
129 HE ARG 20 HE ARG 20 9.708 -4.084 3.881
130 HH11 ARG 20 1HH1 ARG 20 7.739 -3.309 6.665
131 HH12 ARG 20 2HH1 ARG 20 9.072 -3.271 7.769
132 HH21 ARG 20 1HH2 ARG 20 11.471 -4.077 5.331
133 HH22 ARG 20 2HH2 ARG 20 11.207 -3.736 7.010
134 H LYS 21 H LYS 21 9.774 -1.983 0.326
135 HA LYS 21 HA LYS 21 10.555 0.737 -0.477
136 HB2 LYS 21 2HB LYS 21 11.071 -1.946 -1.752
137 HB3 LYS 21 1HB LYS 21 11.484 -0.416 -2.516
138 HG2 LYS 21 2HG LYS 21 13.299 -0.126 -1.242
139 HG3 LYS 21 1HG LYS 21 12.493 -0.707 0.216
140 HD2 LYS 21 2HD LYS 21 13.476 -2.496 -2.004
141 HD3 LYS 21 1HD LYS 21 14.400 -2.131 -0.545
142 HE2 LYS 21 2HE LYS 21 11.701 -3.479 -0.668
143 HE3 LYS 21 1HE LYS 21 13.243 -4.262 -0.322
144 HZ1 LYS 21 3HZ LYS 21 12.158 -2.069 1.350
145 HZ2 LYS 21 1HZ LYS 21 13.411 -3.140 1.726
146 HZ3 LYS 21 2HZ LYS 21 11.811 -3.698 1.655
147 H PHE 22 H PHE 22 8.312 -1.806 -1.136
148 HA PHE 22 HA PHE 22 6.880 0.001 -2.964
149 HB2 PHE 22 2HB PHE 22 6.673 -2.974 -3.269
150 HB3 PHE 22 1HB PHE 22 6.332 -1.715 -4.443
151 HD1 PHE 22 1HD PHE 22 8.247 -0.476 -5.494
152 HD2 PHE 22 2HD PHE 22 8.790 -3.993 -3.160
153 HE1 PHE 22 1HE PHE 22 10.476 -0.788 -6.490
154 HE2 PHE 22 2HE PHE 22 11.019 -4.311 -4.150
155 HZ PHE 22 HZ PHE 22 11.865 -2.708 -5.818
156 H GLY 23 H GLY 23 4.549 -0.501 -3.092
157 HA2 GLY 23 2HA GLY 23 3.111 -2.141 -1.451
158 HA3 GLY 23 1HA GLY 23 3.478 -0.740 -0.452
159 H PHE 24 H PHE 24 0.961 -1.828 -1.569
160 HA PHE 24 HA PHE 24 -0.220 0.678 -2.263
161 HB2 PHE 24 2HB PHE 24 -1.232 -0.104 -4.403
162 HB3 PHE 24 1HB PHE 24 0.510 0.128 -4.501
163 HD1 PHE 24 2HD PHE 24 2.016 -1.795 -4.679
164 HD2 PHE 24 1HD PHE 24 -2.212 -2.283 -4.632
165 HE1 PHE 24 2HE PHE 24 2.274 -4.086 -5.537
166 HE2 PHE 24 1HE PHE 24 -1.960 -4.575 -5.491
167 HZ PHE 24 HZ PHE 24 0.285 -5.479 -5.944
168 H CYS 25 H CYS 25 -2.666 -0.021 -3.028
169 HA CYS 25 HA CYS 25 -3.605 -1.448 -0.705
170 HB2 CYS 25 2HB CYS 25 -5.274 -0.320 -2.955
171 HB3 CYS 25 1HB CYS 25 -5.782 -0.662 -1.303
172 H ALA 26 H ALA 26 -3.844 -3.543 -0.662
173 HA ALA 26 HA ALA 26 -4.846 -4.913 -3.070
174 HB1 ALA 26 1HB ALA 26 -3.365 -6.805 -2.632
175 HB2 ALA 26 2HB ALA 26 -2.652 -5.941 -1.270
176 HB3 ALA 26 3HB ALA 26 -2.439 -5.329 -2.910
177 H GLY 27 H GLY 27 -6.327 -6.535 -2.692
178 HA2 GLY 27 2HA GLY 27 -6.957 -8.176 -0.777
179 HA3 GLY 27 1HA GLY 27 -7.335 -6.678 0.060
180 HA PRO 28 HA PRO 28 -10.875 -8.095 -2.795
181 HB2 PRO 28 2HB PRO 28 -12.368 -9.635 -1.153
182 HB3 PRO 28 1HB PRO 28 -11.070 -10.297 -2.154
183 HG2 PRO 28 2HG PRO 28 -11.072 -9.637 0.758
184 HG3 PRO 28 1HG PRO 28 -10.335 -11.013 -0.080
185 HD2 PRO 28 2HD PRO 28 -8.952 -8.786 0.744
186 HD3 PRO 28 1HD PRO 28 -8.443 -9.838 -0.591
187 H LEU 29 H LEU 29 -12.051 -6.312 -2.892
188 HA LEU 29 HA LEU 29 -13.573 -4.702 -2.431
189 HB2 LEU 29 2HB LEU 29 -14.092 -6.275 0.096
190 HB3 LEU 29 1HB LEU 29 -15.066 -4.933 -0.476
191 HG LEU 29 HG LEU 29 -14.688 -7.515 -1.995
192 HD11 LEU 29 1HD1 LEU 29 -16.960 -8.062 -1.279
193 HD12 LEU 29 2HD1 LEU 29 -16.991 -6.616 -0.269
194 HD13 LEU 29 3HD1 LEU 29 -15.865 -7.924 0.097
195 HD21 LEU 29 3HD2 LEU 29 -16.606 -5.218 -2.376
196 HD22 LEU 29 1HD2 LEU 29 -16.587 -6.714 -3.310
197 HD23 LEU 29 2HD2 LEU 29 -15.225 -5.599 -3.404
198 H ARG 30 H ARG 30 -12.435 -5.449 0.858
199 HA ARG 30 HA ARG 30 -11.809 -2.639 1.263
200 HB2 ARG 30 2HB ARG 30 -11.747 -5.042 3.092
201 HB3 ARG 30 1HB ARG 30 -11.201 -3.447 3.591
202 HG2 ARG 30 2HG ARG 30 -13.470 -2.576 3.033
203 HG3 ARG 30 1HG ARG 30 -13.978 -4.243 2.757
204 HD2 ARG 30 2HD ARG 30 -13.464 -4.822 5.042
205 HD3 ARG 30 1HD ARG 30 -12.806 -3.214 5.335
206 HE ARG 30 HE ARG 30 -15.638 -3.591 4.624
207 HH11 ARG 30 1HH1 ARG 30 -13.168 -2.390 6.787
208 HH12 ARG 30 2HH1 ARG 30 -14.278 -1.518 7.791
209 HH21 ARG 30 1HH2 ARG 30 -17.122 -2.440 5.945
210 HH22 ARG 30 2HH2 ARG 30 -16.537 -1.548 7.310
211 H ALA 31 H ALA 31 -10.210 -3.003 -0.554
212 HA ALA 31 HA ALA 31 -7.815 -4.426 -0.129
213 HB1 ALA 31 1HB ALA 31 -6.952 -3.176 -2.030
214 HB2 ALA 31 2HB ALA 31 -8.307 -2.051 -1.922
215 HB3 ALA 31 3HB ALA 31 -8.594 -3.740 -2.345
216 H THR 32 H THR 32 -6.919 -3.974 1.840
217 HA THR 32 HA THR 32 -6.323 -1.272 2.649
218 HB THR 32 HB THR 32 -6.858 -3.110 4.283
219 HG1 THR 32 1HG THR 32 -5.071 -2.501 5.717
220 HG21 THR 32 3HG2 THR 32 -5.599 -4.924 3.244
221 HG22 THR 32 1HG2 THR 32 -5.063 -4.667 4.905
222 HG23 THR 32 2HG2 THR 32 -4.087 -4.071 3.563
223 H CYS 33 H CYS 33 -3.865 -0.998 3.443
224 HA CYS 33 HA CYS 33 -2.366 -1.176 1.002
225 HB2 CYS 33 2HB CYS 33 -1.641 -0.088 3.707
226 HB3 CYS 33 1HB CYS 33 -0.518 -0.122 2.366
227 H THR 34 H THR 34 -1.171 -2.666 0.395
228 HA THR 34 HA THR 34 0.114 -4.482 2.328
229 HB THR 34 HB THR 34 -0.647 -5.375 -0.436
230 HG1 THR 34 1HG THR 34 -2.412 -4.606 1.350
231 HG21 THR 34 3HG2 THR 34 0.892 -6.765 0.860
232 HG22 THR 34 1HG2 THR 34 -0.652 -7.586 0.630
233 HG23 THR 34 2HG2 THR 34 -0.274 -6.836 2.181
234 H CYS 35 H CYS 35 2.255 -4.411 2.182
235 HA CYS 35 HA CYS 35 3.546 -2.819 0.228
236 HB2 CYS 35 2HB CYS 35 4.764 -4.749 2.206
237 HB3 CYS 35 1HB CYS 35 5.611 -3.464 1.346
238 H GLY 36 H GLY 36 4.746 -3.374 -1.531
239 HA2 GLY 36 2HA GLY 36 3.944 -5.661 -2.972
240 HA3 GLY 36 1HA GLY 36 5.219 -4.551 -3.436
241 H LYS 37 H LYS 37 7.326 -4.879 -2.191
242 HA LYS 37 HA LYS 37 7.756 -7.752 -1.744
243 HB2 LYS 37 2HB LYS 37 9.441 -5.829 -3.343
244 HB3 LYS 37 1HB LYS 37 10.076 -7.352 -2.736
245 HG2 LYS 37 2HG LYS 37 7.756 -7.020 -4.628
246 HG3 LYS 37 1HG LYS 37 9.379 -7.575 -5.044
247 HD2 LYS 37 2HD LYS 37 9.111 -9.565 -3.754
248 HD3 LYS 37 1HD LYS 37 7.605 -8.974 -3.050
249 HE2 LYS 37 2HE LYS 37 7.093 -10.596 -4.751
250 HE3 LYS 37 1HE LYS 37 6.591 -9.001 -5.307
251 HZ1 LYS 37 3HZ LYS 37 7.713 -10.237 -7.053
252 HZ2 LYS 37 1HZ LYS 37 9.097 -10.392 -6.090
253 HZ3 LYS 37 2HZ LYS 37 8.607 -8.865 -6.629
254 H GLN 38 H GLN 38 7.169 -5.994 0.248
255 HA GLN 38 HA GLN 38 7.818 -5.214 2.265
256 HB2 GLN 38 2HB GLN 38 9.948 -7.296 1.781
257 HB3 GLN 38 1HB GLN 38 9.767 -6.445 3.310
258 HG2 GLN 38 2HG GLN 38 7.590 -8.074 2.021
259 HG3 GLN 38 1HG GLN 38 8.704 -8.695 3.237
260 HE21 GLN 38 1HE2 GLN 38 8.482 -8.059 5.357
261 HE22 GLN 38 2HE2 GLN 38 7.090 -7.220 5.940
Start of MODEL 16
1 H1 GLY 1 1HT GLY 1 -9.990 1.174 -2.907
2 H2 GLY 1 2HT GLY 1 -8.757 2.290 -2.580
3 H3 GLY 1 3HT GLY 1 -10.258 2.439 -1.814
4 HA2 GLY 1 1HA GLY 1 -9.894 0.304 -0.691
5 HA3 GLY 1 2HA GLY 1 -8.292 0.259 -1.418
6 H PHE 2 H PHE 2 -7.337 0.246 0.661
7 HA PHE 2 HA PHE 2 -7.806 2.187 2.644
8 HB2 PHE 2 2HB PHE 2 -6.620 0.030 3.016
9 HB3 PHE 2 1HB PHE 2 -5.251 0.653 2.103
10 HD1 PHE 2 1HD PHE 2 -7.338 1.386 5.095
11 HD2 PHE 2 2HD PHE 2 -3.544 1.765 3.201
12 HE1 PHE 2 1HE PHE 2 -6.406 2.341 7.162
13 HE2 PHE 2 2HE PHE 2 -2.605 2.721 5.265
14 HZ PHE 2 HZ PHE 2 -4.036 3.009 7.248
15 H GLY 3 H GLY 3 -5.245 1.986 0.182
16 HA2 GLY 3 2HA GLY 3 -4.577 4.789 0.712
17 HA3 GLY 3 1HA GLY 3 -3.585 3.649 -0.186
18 H CYS 4 H CYS 4 -4.325 3.002 -2.317
19 HA CYS 4 HA CYS 4 -5.068 5.203 -3.902
20 HB2 CYS 4 2HB CYS 4 -5.548 2.851 -5.379
21 HB3 CYS 4 1HB CYS 4 -4.094 3.845 -5.392
22 HA PRO 5 HA PRO 5 -5.877 5.855 -5.509
23 HB2 PRO 5 2HB PRO 5 -7.872 7.332 -6.678
24 HB3 PRO 5 1HB PRO 5 -7.294 5.783 -7.291
25 HG2 PRO 5 2HG PRO 5 -9.863 6.405 -6.167
26 HG3 PRO 5 1HG PRO 5 -9.300 4.858 -6.813
27 HD2 PRO 5 2HD PRO 5 -9.461 5.781 -4.011
28 HD3 PRO 5 1HD PRO 5 -9.433 4.127 -4.658
29 H PHE 6 H PHE 6 -7.685 6.562 -2.867
30 HA PHE 6 HA PHE 6 -7.866 9.387 -2.936
31 HB2 PHE 6 2HB PHE 6 -7.715 7.620 -0.486
32 HB3 PHE 6 1HB PHE 6 -8.378 9.248 -0.575
33 HD1 PHE 6 2HD PHE 6 -10.412 9.605 -2.092
34 HD2 PHE 6 1HD PHE 6 -9.083 5.774 -0.800
35 HE1 PHE 6 2HE PHE 6 -12.635 8.673 -2.581
36 HE2 PHE 6 1HE PHE 6 -11.303 4.834 -1.288
37 HZ PHE 6 HZ PHE 6 -13.084 6.285 -2.180
38 H ASN 7 H ASN 7 -5.677 7.299 -1.051
39 HA ASN 7 HA ASN 7 -3.619 9.391 -1.296
40 HB2 ASN 7 2HB ASN 7 -4.465 7.897 1.187
41 HB3 ASN 7 1HB ASN 7 -2.879 8.644 1.050
42 HD21 ASN 7 1HD2 ASN 7 -4.123 10.837 -0.618
43 HD22 ASN 7 2HD2 ASN 7 -4.875 11.869 0.546
44 H GLU 8 H GLU 8 -3.472 7.625 -3.124
45 HA GLU 8 HA GLU 8 -2.298 5.138 -2.468
46 HB2 GLU 8 2HB GLU 8 -1.460 5.640 -5.036
47 HB3 GLU 8 1HB GLU 8 -2.985 4.895 -4.589
48 HG2 GLU 8 2HG GLU 8 -3.513 6.568 -6.147
49 HG3 GLU 8 1HG GLU 8 -3.985 7.204 -4.573
50 H ASN 9 H ASN 9 -0.945 8.241 -3.498
51 HA ASN 9 HA ASN 9 1.756 7.397 -3.518
52 HB2 ASN 9 2HB ASN 9 0.344 10.020 -3.479
53 HB3 ASN 9 1HB ASN 9 2.039 10.012 -3.004
54 HD21 ASN 9 1HD2 ASN 9 -0.224 9.402 -5.595
55 HD22 ASN 9 2HD2 ASN 9 0.951 9.405 -6.865
56 H GLU 10 H GLU 10 -0.359 8.576 -0.989
57 HA GLU 10 HA GLU 10 1.656 8.957 0.974
58 HB2 GLU 10 2HB GLU 10 -0.336 10.049 1.499
59 HB3 GLU 10 1HB GLU 10 -1.329 8.677 1.038
60 HG2 GLU 10 2HG GLU 10 -1.326 9.124 3.464
61 HG3 GLU 10 1HG GLU 10 -0.763 7.507 3.051
62 H CYS 11 H CYS 11 -0.684 6.314 0.429
63 HA CYS 11 HA CYS 11 0.325 4.613 2.406
64 HB2 CYS 11 2HB CYS 11 -1.819 4.469 0.836
65 HB3 CYS 11 1HB CYS 11 -0.764 3.422 -0.107
66 H HIS 12 H HIS 12 1.324 5.177 -0.902
67 HA HIS 12 HA HIS 12 3.130 2.990 -1.089
68 HB2 HIS 12 2HB HIS 12 2.114 4.427 -2.984
69 HB3 HIS 12 1HB HIS 12 3.400 5.572 -2.624
70 HD1 HIS 12 1HD HIS 12 2.679 2.917 -4.846
71 HD2 HIS 12 2HD HIS 12 6.054 4.057 -2.718
72 HE1 HIS 12 1HE HIS 12 4.623 1.867 -6.046
73 HE2 HIS 12 2HE HIS 12 6.665 2.678 -4.815
74 H ALA 13 H ALA 13 3.597 6.471 -0.410
75 HA ALA 13 HA ALA 13 6.388 6.313 0.016
76 HB1 ALA 13 1HB ALA 13 4.424 8.322 1.119
77 HB2 ALA 13 2HB ALA 13 5.233 8.423 -0.446
78 HB3 ALA 13 3HB ALA 13 6.176 8.515 1.043
79 H HIS 14 H HIS 14 3.616 6.121 2.192
80 HA HIS 14 HA HIS 14 4.976 5.988 4.627
81 HB2 HIS 14 2HB HIS 14 2.480 6.197 4.269
82 HB3 HIS 14 1HB HIS 14 2.453 4.475 3.930
83 HD1 HIS 14 1HD HIS 14 4.219 6.344 6.732
84 HD2 HIS 14 2HD HIS 14 1.351 3.395 6.143
85 HE1 HIS 14 1HE HIS 14 3.708 5.431 9.021
86 HE2 HIS 14 2HE HIS 14 1.815 3.809 8.652
87 H CYS 15 H CYS 15 3.911 3.427 2.441
88 HA CYS 15 HA CYS 15 4.938 1.246 3.863
89 HB2 CYS 15 2HB CYS 15 3.422 1.447 1.678
90 HB3 CYS 15 1HB CYS 15 4.969 1.189 0.882
91 H LEU 16 H LEU 16 6.380 3.418 1.552
92 HA LEU 16 HA LEU 16 8.813 2.070 1.150
93 HB2 LEU 16 2HB LEU 16 7.715 4.725 0.621
94 HB3 LEU 16 1HB LEU 16 9.440 4.741 0.930
95 HG LEU 16 HG LEU 16 9.869 3.275 -0.916
96 HD11 LEU 16 1HD1 LEU 16 6.879 3.046 -1.217
97 HD12 LEU 16 2HD1 LEU 16 7.961 1.784 -0.629
98 HD13 LEU 16 3HD1 LEU 16 8.087 2.345 -2.295
99 HD21 LEU 16 3HD2 LEU 16 7.843 5.372 -1.687
100 HD22 LEU 16 1HD2 LEU 16 8.963 4.578 -2.794
101 HD23 LEU 16 2HD2 LEU 16 9.581 5.611 -1.505
102 H SER 17 H SER 17 7.633 4.004 3.751
103 HA SER 17 HA SER 17 10.220 4.555 4.890
104 HB2 SER 17 2HB SER 17 7.561 4.793 6.293
105 HB3 SER 17 1HB SER 17 9.048 5.682 6.621
106 HG SER 17 HG SER 17 8.000 5.925 4.056
107 H ILE 18 H ILE 18 8.007 1.900 5.000
108 HA ILE 18 HA ILE 18 9.201 0.983 7.516
109 HB ILE 18 HB ILE 18 7.460 -0.885 7.341
110 HG12 ILE 18 2HG1 ILE 18 6.211 1.098 5.429
111 HG13 ILE 18 1HG1 ILE 18 6.841 -0.485 4.984
112 HG21 ILE 18 1HG2 ILE 18 5.766 0.506 8.406
113 HG22 ILE 18 2HG2 ILE 18 6.536 1.958 7.766
114 HG23 ILE 18 3HG2 ILE 18 7.381 0.961 8.951
115 HD11 ILE 18 3HD1 ILE 18 5.163 -1.548 6.401
116 HD12 ILE 18 1HD1 ILE 18 4.424 -0.519 5.173
117 HD13 ILE 18 2HD1 ILE 18 4.533 0.039 6.843
118 H GLY 19 H GLY 19 10.668 1.006 5.044
119 HA2 GLY 19 2HA GLY 19 12.441 -0.442 4.486
120 HA3 GLY 19 1HA GLY 19 11.509 -1.791 5.109
121 H ARG 20 H ARG 20 9.119 -1.091 3.597
122 HA ARG 20 HA ARG 20 9.619 -2.645 1.297
123 HB2 ARG 20 2HB ARG 20 7.295 -0.815 1.227
124 HB3 ARG 20 1HB ARG 20 7.377 -2.542 0.918
125 HG2 ARG 20 2HG ARG 20 7.545 -1.339 3.669
126 HG3 ARG 20 1HG ARG 20 6.038 -1.859 2.918
127 HD2 ARG 20 2HD ARG 20 7.488 -4.080 2.568
128 HD3 ARG 20 1HD ARG 20 8.271 -3.454 4.021
129 HE ARG 20 HE ARG 20 5.457 -4.276 3.755
130 HH11 ARG 20 1HH1 ARG 20 8.072 -3.098 5.796
131 HH12 ARG 20 2HH1 ARG 20 7.292 -3.571 7.265
132 HH21 ARG 20 1HH2 ARG 20 4.429 -4.872 5.677
133 HH22 ARG 20 2HH2 ARG 20 5.215 -4.582 7.203
134 H LYS 21 H LYS 21 9.865 -2.100 -0.875
135 HA LYS 21 HA LYS 21 10.595 0.699 -1.338
136 HB2 LYS 21 2HB LYS 21 11.491 -1.826 -2.708
137 HB3 LYS 21 1HB LYS 21 11.842 -0.222 -3.339
138 HG2 LYS 21 2HG LYS 21 12.667 -1.239 -0.625
139 HG3 LYS 21 1HG LYS 21 13.710 -1.152 -2.048
140 HD2 LYS 21 2HD LYS 21 14.125 1.014 -1.699
141 HD3 LYS 21 1HD LYS 21 12.407 1.381 -1.543
142 HE2 LYS 21 2HE LYS 21 13.475 -0.028 0.771
143 HE3 LYS 21 1HE LYS 21 14.295 1.504 0.470
144 HZ1 LYS 21 3HZ LYS 21 12.107 2.588 0.436
145 HZ2 LYS 21 1HZ LYS 21 12.419 1.844 1.921
146 HZ3 LYS 21 2HZ LYS 21 11.366 1.116 0.817
147 H PHE 22 H PHE 22 8.442 -1.778 -2.321
148 HA PHE 22 HA PHE 22 7.048 0.125 -4.032
149 HB2 PHE 22 2HB PHE 22 7.178 -2.650 -5.092
150 HB3 PHE 22 1HB PHE 22 6.982 -1.135 -5.951
151 HD1 PHE 22 1HD PHE 22 8.926 0.224 -6.553
152 HD2 PHE 22 2HD PHE 22 9.353 -3.582 -4.694
153 HE1 PHE 22 1HE PHE 22 11.288 0.157 -7.237
154 HE2 PHE 22 2HE PHE 22 11.717 -3.652 -5.372
155 HZ PHE 22 HZ PHE 22 12.687 -1.780 -6.644
156 H GLY 23 H GLY 23 4.825 -0.444 -4.359
157 HA2 GLY 23 2HA GLY 23 3.465 -2.657 -3.525
158 HA3 GLY 23 1HA GLY 23 3.675 -1.707 -2.061
159 H PHE 24 H PHE 24 1.188 -2.328 -3.082
160 HA PHE 24 HA PHE 24 0.036 0.289 -3.331
161 HB2 PHE 24 2HB PHE 24 -1.201 -0.178 -5.438
162 HB3 PHE 24 1HB PHE 24 0.534 -0.031 -5.684
163 HD1 PHE 24 2HD PHE 24 1.884 -2.002 -6.221
164 HD2 PHE 24 1HD PHE 24 -2.346 -2.251 -5.815
165 HE1 PHE 24 2HE PHE 24 1.906 -4.185 -7.355
166 HE2 PHE 24 1HE PHE 24 -2.330 -4.434 -6.950
167 HZ PHE 24 HZ PHE 24 -0.202 -5.402 -7.721
168 H CYS 25 H CYS 25 -2.503 -0.080 -3.719
169 HA CYS 25 HA CYS 25 -3.241 -1.906 -1.615
170 HB2 CYS 25 2HB CYS 25 -5.527 -0.980 -1.934
171 HB3 CYS 25 1HB CYS 25 -4.310 0.250 -1.625
172 H ALA 26 H ALA 26 -3.848 -3.906 -1.852
173 HA ALA 26 HA ALA 26 -4.938 -4.763 -4.451
174 HB1 ALA 26 1HB ALA 26 -2.653 -5.591 -4.166
175 HB2 ALA 26 2HB ALA 26 -3.819 -6.914 -4.150
176 HB3 ALA 26 3HB ALA 26 -3.113 -6.343 -2.639
177 H GLY 27 H GLY 27 -6.646 -6.175 -4.403
178 HA2 GLY 27 2HA GLY 27 -7.836 -7.894 -3.000
179 HA3 GLY 27 1HA GLY 27 -7.818 -6.668 -1.739
180 HA PRO 28 HA PRO 28 -11.341 -6.055 -5.004
181 HB2 PRO 28 2HB PRO 28 -13.210 -7.920 -4.308
182 HB3 PRO 28 1HB PRO 28 -12.022 -8.156 -5.593
183 HG2 PRO 28 2HG PRO 28 -12.007 -9.169 -2.784
184 HG3 PRO 28 1HG PRO 28 -11.500 -9.984 -4.274
185 HD2 PRO 28 2HD PRO 28 -9.750 -8.878 -2.507
186 HD3 PRO 28 1HD PRO 28 -9.423 -9.010 -4.246
187 H LEU 29 H LEU 29 -12.644 -7.620 -2.086
188 HA LEU 29 HA LEU 29 -14.202 -5.269 -1.487
189 HB2 LEU 29 2HB LEU 29 -13.936 -7.928 -0.086
190 HB3 LEU 29 1HB LEU 29 -15.000 -6.646 0.457
191 HG LEU 29 HG LEU 29 -15.910 -6.857 -2.039
192 HD11 LEU 29 1HD1 LEU 29 -14.892 -9.624 -1.405
193 HD12 LEU 29 2HD1 LEU 29 -14.315 -8.577 -2.702
194 HD13 LEU 29 3HD1 LEU 29 -15.965 -9.196 -2.738
195 HD21 LEU 29 3HD2 LEU 29 -17.245 -7.064 -0.019
196 HD22 LEU 29 1HD2 LEU 29 -16.642 -8.703 0.229
197 HD23 LEU 29 2HD2 LEU 29 -17.654 -8.339 -1.168
198 H ARG 30 H ARG 30 -11.158 -6.494 -0.610
199 HA ARG 30 HA ARG 30 -10.950 -4.489 1.523
200 HB2 ARG 30 2HB ARG 30 -10.100 -7.367 1.604
201 HB3 ARG 30 1HB ARG 30 -9.270 -6.163 2.579
202 HG2 ARG 30 2HG ARG 30 -12.226 -6.732 2.691
203 HG3 ARG 30 1HG ARG 30 -11.023 -7.369 3.812
204 HD2 ARG 30 2HD ARG 30 -11.792 -5.541 4.976
205 HD3 ARG 30 1HD ARG 30 -10.408 -4.850 4.131
206 HE ARG 30 HE ARG 30 -12.671 -4.517 2.516
207 HH11 ARG 30 1HH1 ARG 30 -11.402 -3.367 5.571
208 HH12 ARG 30 2HH1 ARG 30 -12.240 -1.853 5.498
209 HH21 ARG 30 1HH2 ARG 30 -13.778 -2.532 2.409
210 HH22 ARG 30 2HH2 ARG 30 -13.604 -1.376 3.690
211 H ALA 31 H ALA 31 -10.164 -3.377 -0.503
212 HA ALA 31 HA ALA 31 -7.642 -4.120 -1.602
213 HB1 ALA 31 1HB ALA 31 -9.067 -1.463 -1.725
214 HB2 ALA 31 2HB ALA 31 -9.275 -2.796 -2.861
215 HB3 ALA 31 3HB ALA 31 -7.720 -1.972 -2.745
216 H THR 32 H THR 32 -6.486 -4.418 0.393
217 HA THR 32 HA THR 32 -5.727 -1.986 1.834
218 HB THR 32 HB THR 32 -4.706 -4.737 2.487
219 HG1 THR 32 1HG THR 32 -6.865 -5.154 2.423
220 HG21 THR 32 3HG2 THR 32 -5.466 -2.356 4.190
221 HG22 THR 32 1HG2 THR 32 -3.826 -2.809 3.728
222 HG23 THR 32 2HG2 THR 32 -4.771 -3.866 4.778
223 H CYS 33 H CYS 33 -3.531 -1.318 1.970
224 HA CYS 33 HA CYS 33 -2.052 -1.705 -0.405
225 HB2 CYS 33 2HB CYS 33 -1.120 -0.528 2.204
226 HB3 CYS 33 1HB CYS 33 -0.298 -0.375 0.661
227 H THR 34 H THR 34 -0.752 -3.185 -0.964
228 HA THR 34 HA THR 34 0.573 -4.863 1.064
229 HB THR 34 HB THR 34 -0.075 -5.915 -1.671
230 HG1 THR 34 1HG THR 34 -1.917 -5.140 0.122
231 HG21 THR 34 3HG2 THR 34 0.171 -7.218 1.044
232 HG22 THR 34 1HG2 THR 34 1.415 -7.198 -0.207
233 HG23 THR 34 2HG2 THR 34 -0.100 -8.058 -0.483
234 H CYS 35 H CYS 35 2.733 -4.815 0.921
235 HA CYS 35 HA CYS 35 3.902 -3.745 -1.551
236 HB2 CYS 35 2HB CYS 35 4.708 -3.500 1.333
237 HB3 CYS 35 1HB CYS 35 5.866 -3.208 0.037
238 H GLY 36 H GLY 36 6.435 -4.407 -1.488
239 HA2 GLY 36 2HA GLY 36 6.621 -7.009 -2.368
240 HA3 GLY 36 1HA GLY 36 7.986 -6.076 -1.780
241 H LYS 37 H LYS 37 6.974 -5.860 0.918
242 HA LYS 37 HA LYS 37 7.170 -8.658 1.798
243 HB2 LYS 37 2HB LYS 37 8.648 -6.242 2.830
244 HB3 LYS 37 1HB LYS 37 8.419 -7.675 3.824
245 HG2 LYS 37 2HG LYS 37 9.823 -7.577 1.161
246 HG3 LYS 37 1HG LYS 37 10.595 -7.693 2.744
247 HD2 LYS 37 2HD LYS 37 9.542 -9.849 3.126
248 HD3 LYS 37 1HD LYS 37 8.683 -9.723 1.590
249 HE2 LYS 37 2HE LYS 37 10.580 -11.166 1.300
250 HE3 LYS 37 1HE LYS 37 10.874 -9.662 0.429
251 HZ1 LYS 37 3HZ LYS 37 12.829 -10.380 1.654
252 HZ2 LYS 37 1HZ LYS 37 11.962 -10.345 3.107
253 HZ3 LYS 37 2HZ LYS 37 12.254 -8.911 2.262
254 H GLN 38 H GLN 38 4.792 -7.469 1.374
255 HA GLN 38 HA GLN 38 2.770 -7.074 2.297
256 HB2 GLN 38 2HB GLN 38 3.592 -9.026 3.780
257 HB3 GLN 38 1HB GLN 38 3.890 -7.794 5.000
258 HG2 GLN 38 2HG GLN 38 1.311 -7.281 4.125
259 HG3 GLN 38 1HG GLN 38 1.412 -9.040 4.194
260 HE21 GLN 38 1HE2 GLN 38 1.918 -6.095 6.030
261 HE22 GLN 38 2HE2 GLN 38 1.637 -6.800 7.587
Start of MODEL 17
1 H1 GLY 1 1HT GLY 1 -10.672 2.307 2.911
2 H2 GLY 1 2HT GLY 1 -10.980 1.975 4.537
3 H3 GLY 1 3HT GLY 1 -11.303 0.803 3.361
4 HA2 GLY 1 1HA GLY 1 -9.285 0.234 4.511
5 HA3 GLY 1 2HA GLY 1 -8.934 0.662 2.841
6 H PHE 2 H PHE 2 -6.753 1.127 3.541
7 HA PHE 2 HA PHE 2 -6.390 3.353 5.361
8 HB2 PHE 2 2HB PHE 2 -4.792 1.509 5.454
9 HB3 PHE 2 1HB PHE 2 -4.380 1.751 3.759
10 HD1 PHE 2 2HD PHE 2 -4.371 3.503 7.043
11 HD2 PHE 2 1HD PHE 2 -2.606 3.129 3.188
12 HE1 PHE 2 2HE PHE 2 -2.610 5.090 7.699
13 HE2 PHE 2 1HE PHE 2 -0.842 4.716 3.837
14 HZ PHE 2 HZ PHE 2 -0.845 5.700 6.095
15 H GLY 3 H GLY 3 -5.193 2.720 2.054
16 HA2 GLY 3 2HA GLY 3 -5.495 5.611 1.552
17 HA3 GLY 3 1HA GLY 3 -4.235 4.620 0.834
18 H CYS 4 H CYS 4 -4.893 2.962 -0.694
19 HA CYS 4 HA CYS 4 -6.579 3.957 -2.691
20 HB2 CYS 4 2HB CYS 4 -6.354 1.149 -3.012
21 HB3 CYS 4 1HB CYS 4 -5.424 2.410 -3.819
22 HA PRO 5 HA PRO 5 -7.718 2.807 -4.449
23 HB2 PRO 5 2HB PRO 5 -10.435 3.549 -5.108
24 HB3 PRO 5 1HB PRO 5 -9.498 2.169 -5.680
25 HG2 PRO 5 2HG PRO 5 -11.661 1.935 -4.039
26 HG3 PRO 5 1HG PRO 5 -10.318 0.777 -4.056
27 HD2 PRO 5 2HD PRO 5 -10.854 3.031 -2.153
28 HD3 PRO 5 1HD PRO 5 -10.287 1.380 -1.814
29 H PHE 6 H PHE 6 -8.635 4.837 -2.060
30 HA PHE 6 HA PHE 6 -9.067 7.206 -3.670
31 HB2 PHE 6 2HB PHE 6 -10.232 6.840 -1.486
32 HB3 PHE 6 1HB PHE 6 -8.677 6.996 -0.677
33 HD1 PHE 6 1HD PHE 6 -10.602 8.889 -3.262
34 HD2 PHE 6 2HD PHE 6 -8.324 9.015 0.330
35 HE1 PHE 6 1HE PHE 6 -10.913 11.328 -3.154
36 HE2 PHE 6 2HE PHE 6 -8.631 11.452 0.444
37 HZ PHE 6 HZ PHE 6 -9.928 12.613 -1.298
38 H ASN 7 H ASN 7 -6.837 6.773 -0.938
39 HA ASN 7 HA ASN 7 -4.859 8.381 -2.384
40 HB2 ASN 7 2HB ASN 7 -5.422 7.817 0.490
41 HB3 ASN 7 1HB ASN 7 -3.759 8.175 0.037
42 HD21 ASN 7 1HD2 ASN 7 -4.310 9.979 1.574
43 HD22 ASN 7 2HD2 ASN 7 -4.952 11.425 0.859
44 H GLU 8 H GLU 8 -4.586 6.390 -3.743
45 HA GLU 8 HA GLU 8 -3.386 4.054 -2.736
46 HB2 GLU 8 2HB GLU 8 -2.486 4.202 -5.324
47 HB3 GLU 8 1HB GLU 8 -4.026 3.528 -4.817
48 HG2 GLU 8 2HG GLU 8 -4.560 4.967 -6.570
49 HG3 GLU 8 1HG GLU 8 -4.976 5.869 -5.114
50 H ASN 9 H ASN 9 -1.992 6.986 -4.143
51 HA ASN 9 HA ASN 9 0.707 6.161 -4.004
52 HB2 ASN 9 2HB ASN 9 -0.714 8.755 -4.340
53 HB3 ASN 9 1HB ASN 9 0.976 8.820 -3.851
54 HD21 ASN 9 1HD2 ASN 9 -1.257 7.850 -6.354
55 HD22 ASN 9 2HD2 ASN 9 -0.070 7.680 -7.601
56 H GLU 10 H GLU 10 -1.438 7.617 -1.645
57 HA GLU 10 HA GLU 10 0.585 8.312 0.232
58 HB2 GLU 10 2HB GLU 10 -1.766 9.215 0.211
59 HB3 GLU 10 1HB GLU 10 -2.305 7.657 0.821
60 HG2 GLU 10 2HG GLU 10 -1.068 7.954 2.848
61 HG3 GLU 10 1HG GLU 10 -0.314 9.422 2.225
62 H CYS 11 H CYS 11 -1.503 5.491 -0.208
63 HA CYS 11 HA CYS 11 -0.623 4.019 2.016
64 HB2 CYS 11 2HB CYS 11 -2.554 3.242 0.841
65 HB3 CYS 11 1HB CYS 11 -1.685 3.171 -0.684
66 H HIS 12 H HIS 12 0.557 4.202 -1.302
67 HA HIS 12 HA HIS 12 2.674 2.354 -1.014
68 HB2 HIS 12 2HB HIS 12 1.708 3.212 -3.194
69 HB3 HIS 12 1HB HIS 12 2.607 4.701 -2.922
70 HD1 HIS 12 1HD HIS 12 2.883 1.656 -4.704
71 HD2 HIS 12 2HD HIS 12 5.540 3.977 -2.523
72 HE1 HIS 12 1HE HIS 12 5.178 0.973 -5.485
73 HE2 HIS 12 2HE HIS 12 6.766 2.240 -3.993
74 H ALA 13 H ALA 13 2.490 5.873 -0.609
75 HA ALA 13 HA ALA 13 5.213 6.365 -0.154
76 HB1 ALA 13 1HB ALA 13 4.493 8.438 0.918
77 HB2 ALA 13 2HB ALA 13 2.838 7.831 0.999
78 HB3 ALA 13 3HB ALA 13 3.586 8.150 -0.567
79 H HIS 14 H HIS 14 2.569 5.631 2.093
80 HA HIS 14 HA HIS 14 4.008 5.690 4.485
81 HB2 HIS 14 2HB HIS 14 1.547 5.433 4.363
82 HB3 HIS 14 1HB HIS 14 1.753 3.810 3.734
83 HD1 HIS 14 1HD HIS 14 0.358 2.999 5.843
84 HD2 HIS 14 2HD HIS 14 4.086 4.635 6.680
85 HE1 HIS 14 1HE HIS 14 0.889 2.303 8.202
86 HE2 HIS 14 2HE HIS 14 3.126 3.344 8.705
87 H CYS 15 H CYS 15 3.362 3.023 2.285
88 HA CYS 15 HA CYS 15 4.764 1.009 3.570
89 HB2 CYS 15 2HB CYS 15 3.286 0.611 1.660
90 HB3 CYS 15 1HB CYS 15 4.405 1.460 0.601
91 H LEU 16 H LEU 16 5.897 3.444 1.335
92 HA LEU 16 HA LEU 16 8.546 2.553 1.029
93 HB2 LEU 16 2HB LEU 16 7.078 5.096 0.625
94 HB3 LEU 16 1HB LEU 16 8.821 5.203 0.743
95 HG LEU 16 HG LEU 16 7.405 3.401 -1.217
96 HD11 LEU 16 1HD1 LEU 16 8.497 6.179 -1.646
97 HD12 LEU 16 2HD1 LEU 16 6.794 5.718 -1.659
98 HD13 LEU 16 3HD1 LEU 16 7.883 5.104 -2.903
99 HD21 LEU 16 3HD2 LEU 16 9.726 2.807 -0.658
100 HD22 LEU 16 1HD2 LEU 16 10.239 4.430 -1.120
101 HD23 LEU 16 2HD2 LEU 16 9.557 3.342 -2.331
102 H SER 17 H SER 17 6.944 4.375 3.519
103 HA SER 17 HA SER 17 9.368 5.286 4.771
104 HB2 SER 17 2HB SER 17 6.655 5.266 6.068
105 HB3 SER 17 1HB SER 17 7.988 6.393 6.317
106 HG SER 17 HG SER 17 7.142 6.333 3.725
107 H ILE 18 H ILE 18 7.669 2.309 4.821
108 HA ILE 18 HA ILE 18 8.729 1.755 7.507
109 HB ILE 18 HB ILE 18 7.339 -0.372 7.371
110 HG12 ILE 18 2HG1 ILE 18 5.964 1.171 5.162
111 HG13 ILE 18 1HG1 ILE 18 6.920 -0.290 4.931
112 HG21 ILE 18 1HG2 ILE 18 5.280 0.818 8.046
113 HG22 ILE 18 2HG2 ILE 18 5.985 2.320 7.449
114 HG23 ILE 18 3HG2 ILE 18 6.736 1.470 8.800
115 HD11 ILE 18 3HD1 ILE 18 4.541 -0.770 4.913
116 HD12 ILE 18 1HD1 ILE 18 4.378 -0.083 6.529
117 HD13 ILE 18 2HD1 ILE 18 5.332 -1.547 6.284
118 H GLY 19 H GLY 19 10.319 1.882 5.072
119 HA2 GLY 19 2HA GLY 19 12.351 0.753 4.704
120 HA3 GLY 19 1HA GLY 19 11.666 -0.680 5.448
121 H ARG 20 H ARG 20 9.251 -0.600 3.801
122 HA ARG 20 HA ARG 20 10.241 -2.170 1.639
123 HB2 ARG 20 2HB ARG 20 7.468 -1.136 2.237
124 HB3 ARG 20 1HB ARG 20 7.840 -2.227 0.912
125 HG2 ARG 20 2HG ARG 20 7.121 -3.696 2.514
126 HG3 ARG 20 1HG ARG 20 8.860 -3.714 2.802
127 HD2 ARG 20 2HD ARG 20 8.677 -2.387 4.713
128 HD3 ARG 20 1HD ARG 20 7.072 -1.811 4.272
129 HE ARG 20 HE ARG 20 6.522 -4.365 4.632
130 HH11 ARG 20 1HH1 ARG 20 8.569 -2.258 6.565
131 HH12 ARG 20 2HH1 ARG 20 8.285 -3.136 8.034
132 HH21 ARG 20 1HH2 ARG 20 6.132 -5.500 6.560
133 HH22 ARG 20 2HH2 ARG 20 6.902 -4.981 8.034
134 H LYS 21 H LYS 21 9.777 -1.768 -0.658
135 HA LYS 21 HA LYS 21 10.078 1.083 -1.262
136 HB2 LYS 21 2HB LYS 21 11.473 -1.247 -2.192
137 HB3 LYS 21 1HB LYS 21 10.742 -0.407 -3.553
138 HG2 LYS 21 2HG LYS 21 12.513 0.930 -3.532
139 HG3 LYS 21 1HG LYS 21 11.861 1.627 -2.050
140 HD2 LYS 21 2HD LYS 21 13.778 -0.702 -2.203
141 HD3 LYS 21 1HD LYS 21 14.214 0.958 -1.804
142 HE2 LYS 21 2HE LYS 21 12.349 -0.815 -0.230
143 HE3 LYS 21 1HE LYS 21 14.012 -0.431 0.199
144 HZ1 LYS 21 3HZ LYS 21 12.502 0.932 1.450
145 HZ2 LYS 21 1HZ LYS 21 11.746 1.488 0.041
146 HZ3 LYS 21 2HZ LYS 21 13.351 1.916 0.365
147 H PHE 22 H PHE 22 8.219 -1.740 -1.981
148 HA PHE 22 HA PHE 22 6.360 -0.043 -3.479
149 HB2 PHE 22 2HB PHE 22 6.540 -2.896 -4.284
150 HB3 PHE 22 1HB PHE 22 6.080 -1.495 -5.230
151 HD1 PHE 22 1HD PHE 22 7.834 0.029 -6.118
152 HD2 PHE 22 2HD PHE 22 8.772 -3.704 -4.301
153 HE1 PHE 22 1HE PHE 22 10.058 0.081 -7.167
154 HE2 PHE 22 2HE PHE 22 11.000 -3.656 -5.344
155 HZ PHE 22 HZ PHE 22 11.645 -1.761 -6.779
156 H GLY 23 H GLY 23 4.209 -0.671 -3.374
157 HA2 GLY 23 2HA GLY 23 3.027 -2.799 -2.164
158 HA3 GLY 23 1HA GLY 23 3.458 -1.739 -0.826
159 H PHE 24 H PHE 24 0.834 -2.510 -1.701
160 HA PHE 24 HA PHE 24 -0.451 0.006 -1.605
161 HB2 PHE 24 2HB PHE 24 -1.671 -0.159 -3.786
162 HB3 PHE 24 1HB PHE 24 0.044 0.192 -3.965
163 HD1 PHE 24 2HD PHE 24 1.556 -1.445 -4.925
164 HD2 PHE 24 1HD PHE 24 -2.597 -2.276 -4.505
165 HE1 PHE 24 2HE PHE 24 1.785 -3.349 -6.464
166 HE2 PHE 24 1HE PHE 24 -2.374 -4.181 -6.045
167 HZ PHE 24 HZ PHE 24 -0.181 -4.720 -7.026
168 H CYS 25 H CYS 25 -2.958 -0.503 -2.206
169 HA CYS 25 HA CYS 25 -3.676 -2.543 -0.360
170 HB2 CYS 25 2HB CYS 25 -5.542 -1.162 -2.289
171 HB3 CYS 25 1HB CYS 25 -5.929 -1.862 -0.720
172 H ALA 26 H ALA 26 -3.612 -4.607 -0.778
173 HA ALA 26 HA ALA 26 -3.572 -5.674 -3.427
174 HB1 ALA 26 1HB ALA 26 -3.906 -7.104 -0.790
175 HB2 ALA 26 2HB ALA 26 -2.371 -6.739 -1.577
176 HB3 ALA 26 3HB ALA 26 -3.507 -7.855 -2.334
177 H GLY 27 H GLY 27 -5.449 -5.147 -4.481
178 HA2 GLY 27 2HA GLY 27 -7.487 -6.387 -5.134
179 HA3 GLY 27 1HA GLY 27 -7.903 -6.412 -3.426
180 HA PRO 28 HA PRO 28 -8.854 -2.211 -5.928
181 HB2 PRO 28 2HB PRO 28 -11.235 -3.041 -7.138
182 HB3 PRO 28 1HB PRO 28 -9.696 -2.761 -7.957
183 HG2 PRO 28 2HG PRO 28 -10.909 -5.318 -7.017
184 HG3 PRO 28 1HG PRO 28 -9.945 -4.997 -8.471
185 HD2 PRO 28 2HD PRO 28 -8.885 -6.235 -6.351
186 HD3 PRO 28 1HD PRO 28 -7.936 -5.075 -7.305
187 H LEU 29 H LEU 29 -11.362 -4.557 -4.933
188 HA LEU 29 HA LEU 29 -12.627 -2.436 -3.360
189 HB2 LEU 29 2HB LEU 29 -13.630 -5.160 -4.185
190 HB3 LEU 29 1HB LEU 29 -14.529 -4.039 -3.179
191 HG LEU 29 HG LEU 29 -13.691 -3.550 -6.041
192 HD11 LEU 29 1HD1 LEU 29 -16.397 -4.119 -4.838
193 HD12 LEU 29 2HD1 LEU 29 -15.459 -5.212 -5.856
194 HD13 LEU 29 3HD1 LEU 29 -16.083 -3.703 -6.523
195 HD21 LEU 29 3HD2 LEU 29 -15.356 -1.874 -4.165
196 HD22 LEU 29 1HD2 LEU 29 -15.091 -1.547 -5.878
197 HD23 LEU 29 2HD2 LEU 29 -13.738 -1.486 -4.749
198 H ARG 30 H ARG 30 -10.159 -3.867 -2.603
199 HA ARG 30 HA ARG 30 -11.058 -5.249 -0.172
200 HB2 ARG 30 2HB ARG 30 -9.519 -6.512 -1.585
201 HB3 ARG 30 1HB ARG 30 -8.349 -5.203 -1.503
202 HG2 ARG 30 2HG ARG 30 -7.745 -7.009 -0.019
203 HG3 ARG 30 1HG ARG 30 -8.112 -5.550 0.894
204 HD2 ARG 30 2HD ARG 30 -10.450 -6.514 1.177
205 HD3 ARG 30 1HD ARG 30 -9.778 -8.033 0.581
206 HE ARG 30 HE ARG 30 -8.665 -6.660 2.944
207 HH11 ARG 30 1HH1 ARG 30 -9.964 -9.521 1.399
208 HH12 ARG 30 2HH1 ARG 30 -9.619 -10.565 2.735
209 HH21 ARG 30 1HH2 ARG 30 -8.200 -8.028 4.714
210 HH22 ARG 30 2HH2 ARG 30 -8.609 -9.710 4.635
211 H ALA 31 H ALA 31 -8.986 -2.685 -1.377
212 HA ALA 31 HA ALA 31 -8.051 -0.847 -0.444
213 HB1 ALA 31 1HB ALA 31 -10.401 -0.322 -0.044
214 HB2 ALA 31 2HB ALA 31 -9.361 0.338 1.218
215 HB3 ALA 31 3HB ALA 31 -10.311 -1.114 1.528
216 H THR 32 H THR 32 -7.293 -3.581 0.657
217 HA THR 32 HA THR 32 -6.260 -2.756 3.280
218 HB THR 32 HB THR 32 -6.176 -5.532 2.086
219 HG1 THR 32 1HG THR 32 -8.332 -4.216 2.807
220 HG21 THR 32 3HG2 THR 32 -5.946 -4.541 4.933
221 HG22 THR 32 1HG2 THR 32 -4.616 -5.123 3.933
222 HG23 THR 32 2HG2 THR 32 -5.899 -6.229 4.422
223 H CYS 33 H CYS 33 -4.334 -1.801 3.125
224 HA CYS 33 HA CYS 33 -2.612 -2.043 0.914
225 HB2 CYS 33 2HB CYS 33 -2.175 -0.956 3.684
226 HB3 CYS 33 1HB CYS 33 -0.927 -0.919 2.450
227 H THR 34 H THR 34 -0.972 -3.244 0.466
228 HA THR 34 HA THR 34 0.307 -4.937 2.472
229 HB THR 34 HB THR 34 -0.571 -6.135 -0.152
230 HG1 THR 34 1HG THR 34 -2.057 -5.656 2.127
231 HG21 THR 34 3HG2 THR 34 1.260 -7.252 1.025
232 HG22 THR 34 1HG2 THR 34 -0.195 -8.249 1.036
233 HG23 THR 34 2HG2 THR 34 0.269 -7.353 2.482
234 H CYS 35 H CYS 35 2.465 -4.907 2.173
235 HA CYS 35 HA CYS 35 3.481 -3.563 -0.197
236 HB2 CYS 35 2HB CYS 35 4.831 -4.379 2.379
237 HB3 CYS 35 1HB CYS 35 5.638 -3.544 1.055
238 H GLY 36 H GLY 36 5.496 -4.382 -1.201
239 HA2 GLY 36 2HA GLY 36 5.105 -6.980 -2.231
240 HA3 GLY 36 1HA GLY 36 6.525 -5.981 -2.476
241 H LYS 37 H LYS 37 6.848 -5.879 0.514
242 HA LYS 37 HA LYS 37 7.876 -8.602 0.906
243 HB2 LYS 37 2HB LYS 37 9.262 -5.977 1.377
244 HB3 LYS 37 1HB LYS 37 9.728 -7.416 2.276
245 HG2 LYS 37 2HG LYS 37 9.900 -8.503 -0.081
246 HG3 LYS 37 1HG LYS 37 10.002 -6.833 -0.636
247 HD2 LYS 37 2HD LYS 37 11.975 -6.438 0.587
248 HD3 LYS 37 1HD LYS 37 11.762 -7.900 1.554
249 HE2 LYS 37 2HE LYS 37 12.395 -7.777 -1.393
250 HE3 LYS 37 1HE LYS 37 13.512 -8.220 -0.104
251 HZ1 LYS 37 3HZ LYS 37 12.122 -10.136 0.392
252 HZ2 LYS 37 1HZ LYS 37 12.634 -10.172 -1.220
253 HZ3 LYS 37 2HZ LYS 37 11.050 -9.710 -0.846
254 H GLN 38 H GLN 38 5.405 -7.811 1.744
255 HA GLN 38 HA GLN 38 4.013 -7.822 3.525
256 HB2 GLN 38 2HB GLN 38 6.495 -8.857 4.903
257 HB3 GLN 38 1HB GLN 38 4.922 -8.763 5.683
258 HG2 GLN 38 2HG GLN 38 3.999 -10.268 3.984
259 HG3 GLN 38 1HG GLN 38 5.589 -10.378 3.232
260 HE21 GLN 38 1HE2 GLN 38 3.881 -12.444 4.430
261 HE22 GLN 38 2HE2 GLN 38 4.847 -13.204 5.642
Start of MODEL 18
1 H1 GLY 1 1HT GLY 1 -10.710 3.505 -1.135
2 H2 GLY 1 2HT GLY 1 -10.698 2.264 -2.285
3 H3 GLY 1 3HT GLY 1 -9.320 3.227 -2.063
4 HA2 GLY 1 1HA GLY 1 -10.459 1.253 -0.163
5 HA3 GLY 1 2HA GLY 1 -8.911 1.158 -0.996
6 H PHE 2 H PHE 2 -7.741 1.037 0.957
7 HA PHE 2 HA PHE 2 -8.002 2.847 3.088
8 HB2 PHE 2 2HB PHE 2 -6.730 0.690 3.168
9 HB3 PHE 2 1HB PHE 2 -5.468 1.443 2.199
10 HD1 PHE 2 2HD PHE 2 -7.362 1.976 5.367
11 HD2 PHE 2 1HD PHE 2 -3.684 2.419 3.274
12 HE1 PHE 2 2HE PHE 2 -6.302 2.822 7.419
13 HE2 PHE 2 1HE PHE 2 -2.616 3.265 5.322
14 HZ PHE 2 HZ PHE 2 -3.926 3.468 7.399
15 H GLY 3 H GLY 3 -5.688 2.832 0.387
16 HA2 GLY 3 2HA GLY 3 -5.319 5.728 0.822
17 HA3 GLY 3 1HA GLY 3 -4.072 4.665 0.178
18 H CYS 4 H CYS 4 -4.754 3.458 -1.838
19 HA CYS 4 HA CYS 4 -5.214 5.236 -3.920
20 HB2 CYS 4 2HB CYS 4 -5.987 2.468 -4.492
21 HB3 CYS 4 1HB CYS 4 -4.695 3.443 -5.191
22 HA PRO 5 HA PRO 5 -5.880 5.397 -5.811
23 HB2 PRO 5 2HB PRO 5 -7.713 6.875 -7.324
24 HB3 PRO 5 1HB PRO 5 -7.188 5.223 -7.644
25 HG2 PRO 5 2HG PRO 5 -9.777 6.031 -6.928
26 HG3 PRO 5 1HG PRO 5 -9.159 4.371 -6.907
27 HD2 PRO 5 2HD PRO 5 -9.443 6.319 -4.659
28 HD3 PRO 5 1HD PRO 5 -9.664 4.554 -4.663
29 H PHE 6 H PHE 6 -7.163 7.009 -3.405
30 HA PHE 6 HA PHE 6 -6.705 9.711 -4.383
31 HB2 PHE 6 2HB PHE 6 -8.650 8.971 -2.831
32 HB3 PHE 6 1HB PHE 6 -7.442 9.042 -1.551
33 HD1 PHE 6 1HD PHE 6 -9.034 11.060 -4.225
34 HD2 PHE 6 2HD PHE 6 -6.896 11.075 -0.545
35 HE1 PHE 6 1HE PHE 6 -9.403 13.484 -4.025
36 HE2 PHE 6 2HE PHE 6 -7.261 13.499 -0.339
37 HZ PHE 6 HZ PHE 6 -8.516 14.707 -2.080
38 H ASN 7 H ASN 7 -5.654 7.869 -1.504
39 HA ASN 7 HA ASN 7 -3.187 9.477 -1.520
40 HB2 ASN 7 2HB ASN 7 -4.369 7.933 0.798
41 HB3 ASN 7 1HB ASN 7 -2.995 9.031 0.857
42 HD21 ASN 7 1HD2 ASN 7 -3.440 11.303 0.257
43 HD22 ASN 7 2HD2 ASN 7 -4.975 11.964 0.727
44 H GLU 8 H GLU 8 -3.212 7.428 -3.302
45 HA GLU 8 HA GLU 8 -2.213 5.005 -2.177
46 HB2 GLU 8 2HB GLU 8 -1.483 4.633 -4.651
47 HB3 GLU 8 1HB GLU 8 -3.187 4.607 -4.222
48 HG2 GLU 8 2HG GLU 8 -3.292 7.015 -4.911
49 HG3 GLU 8 1HG GLU 8 -1.657 6.825 -5.547
50 H ASN 9 H ASN 9 -0.740 7.878 -3.539
51 HA ASN 9 HA ASN 9 1.909 6.868 -3.652
52 HB2 ASN 9 2HB ASN 9 0.645 9.568 -3.748
53 HB3 ASN 9 1HB ASN 9 2.363 9.489 -3.373
54 HD21 ASN 9 1HD2 ASN 9 0.699 10.371 -5.758
55 HD22 ASN 9 2HD2 ASN 9 1.468 9.601 -7.100
56 H GLU 10 H GLU 10 0.012 8.496 -1.194
57 HA GLU 10 HA GLU 10 2.132 8.819 0.669
58 HB2 GLU 10 2HB GLU 10 -0.856 8.703 1.125
59 HB3 GLU 10 1HB GLU 10 0.331 9.257 2.300
60 HG2 GLU 10 2HG GLU 10 -0.260 11.269 1.476
61 HG3 GLU 10 1HG GLU 10 0.976 10.870 0.285
62 H CYS 11 H CYS 11 -0.388 6.358 0.237
63 HA CYS 11 HA CYS 11 0.329 4.777 2.461
64 HB2 CYS 11 2HB CYS 11 -1.718 4.650 0.753
65 HB3 CYS 11 1HB CYS 11 -0.682 3.461 -0.030
66 H HIS 12 H HIS 12 1.424 4.886 -0.870
67 HA HIS 12 HA HIS 12 3.159 2.656 -0.808
68 HB2 HIS 12 2HB HIS 12 2.265 3.897 -2.848
69 HB3 HIS 12 1HB HIS 12 3.468 5.135 -2.517
70 HD1 HIS 12 1HD HIS 12 3.004 2.443 -4.688
71 HD2 HIS 12 2HD HIS 12 6.182 3.650 -2.315
72 HE1 HIS 12 1HE HIS 12 5.057 1.413 -5.724
73 HE2 HIS 12 2HE HIS 12 6.960 2.086 -4.217
74 H ALA 13 H ALA 13 3.726 6.144 -0.362
75 HA ALA 13 HA ALA 13 6.488 6.011 0.121
76 HB1 ALA 13 1HB ALA 13 5.310 8.097 -0.389
77 HB2 ALA 13 2HB ALA 13 6.256 8.235 1.092
78 HB3 ALA 13 3HB ALA 13 4.507 8.026 1.180
79 H HIS 14 H HIS 14 3.715 5.796 2.302
80 HA HIS 14 HA HIS 14 5.111 5.736 4.736
81 HB2 HIS 14 2HB HIS 14 2.639 5.930 4.533
82 HB3 HIS 14 1HB HIS 14 2.568 4.250 4.034
83 HD1 HIS 14 1HD HIS 14 4.578 5.674 6.928
84 HD2 HIS 14 2HD HIS 14 1.402 3.088 6.198
85 HE1 HIS 14 1HE HIS 14 4.046 4.613 9.146
86 HE2 HIS 14 2HE HIS 14 2.180 2.990 8.663
87 H CYS 15 H CYS 15 4.056 3.155 2.591
88 HA CYS 15 HA CYS 15 5.068 0.975 4.001
89 HB2 CYS 15 2HB CYS 15 3.761 1.363 1.591
90 HB3 CYS 15 1HB CYS 15 5.317 0.698 1.105
91 H LEU 16 H LEU 16 6.589 3.183 1.781
92 HA LEU 16 HA LEU 16 9.031 1.837 1.418
93 HB2 LEU 16 2HB LEU 16 7.971 4.526 0.942
94 HB3 LEU 16 1HB LEU 16 9.694 4.495 1.262
95 HG LEU 16 HG LEU 16 10.113 3.098 -0.623
96 HD11 LEU 16 1HD1 LEU 16 8.230 1.583 -0.372
97 HD12 LEU 16 2HD1 LEU 16 8.322 2.201 -2.022
98 HD13 LEU 16 3HD1 LEU 16 7.124 2.850 -0.902
99 HD21 LEU 16 3HD2 LEU 16 9.134 4.421 -2.479
100 HD22 LEU 16 1HD2 LEU 16 9.847 5.415 -1.207
101 HD23 LEU 16 2HD2 LEU 16 8.095 5.231 -1.305
102 H SER 17 H SER 17 7.820 3.814 4.015
103 HA SER 17 HA SER 17 10.384 4.289 5.215
104 HB2 SER 17 2HB SER 17 7.871 4.471 6.810
105 HB3 SER 17 1HB SER 17 9.251 5.568 6.757
106 HG SER 17 HG SER 17 8.315 5.769 4.396
107 H ILE 18 H ILE 18 8.259 1.625 5.117
108 HA ILE 18 HA ILE 18 9.444 0.568 7.592
109 HB ILE 18 HB ILE 18 7.499 -1.238 7.092
110 HG12 ILE 18 2HG1 ILE 18 6.347 1.433 6.256
111 HG13 ILE 18 1HG1 ILE 18 6.645 0.081 5.169
112 HG21 ILE 18 1HG2 ILE 18 7.184 1.345 8.616
113 HG22 ILE 18 2HG2 ILE 18 7.969 -0.118 9.208
114 HG23 ILE 18 3HG2 ILE 18 6.240 -0.125 8.861
115 HD11 ILE 18 3HD1 ILE 18 4.307 0.202 5.775
116 HD12 ILE 18 1HD1 ILE 18 4.726 0.104 7.486
117 HD13 ILE 18 2HD1 ILE 18 5.035 -1.268 6.422
118 H GLY 19 H GLY 19 10.740 0.625 4.993
119 HA2 GLY 19 2HA GLY 19 12.383 -0.868 4.235
120 HA3 GLY 19 1HA GLY 19 11.494 -2.189 4.964
121 H ARG 20 H ARG 20 8.987 -1.216 3.546
122 HA ARG 20 HA ARG 20 9.241 -2.938 1.308
123 HB2 ARG 20 2HB ARG 20 7.100 -0.965 2.096
124 HB3 ARG 20 1HB ARG 20 6.977 -1.989 0.673
125 HG2 ARG 20 2HG ARG 20 5.821 -3.245 2.182
126 HG3 ARG 20 1HG ARG 20 7.440 -3.908 2.402
127 HD2 ARG 20 2HD ARG 20 7.767 -2.755 4.410
128 HD3 ARG 20 1HD ARG 20 6.453 -1.625 4.078
129 HE ARG 20 HE ARG 20 5.041 -3.826 4.262
130 HH11 ARG 20 1HH1 ARG 20 7.804 -2.904 6.241
131 HH12 ARG 20 2HH1 ARG 20 7.225 -3.740 7.643
132 HH21 ARG 20 1HH2 ARG 20 4.287 -4.914 6.103
133 HH22 ARG 20 2HH2 ARG 20 5.231 -4.888 7.567
134 H LYS 21 H LYS 21 9.238 -2.470 -0.914
135 HA LYS 21 HA LYS 21 10.286 0.190 -1.549
136 HB2 LYS 21 2HB LYS 21 10.711 -2.482 -2.851
137 HB3 LYS 21 1HB LYS 21 11.129 -0.977 -3.661
138 HG2 LYS 21 2HG LYS 21 12.217 -1.884 -1.001
139 HG3 LYS 21 1HG LYS 21 13.058 -1.994 -2.550
140 HD2 LYS 21 2HD LYS 21 13.558 0.208 -2.581
141 HD3 LYS 21 1HD LYS 21 12.011 0.672 -1.870
142 HE2 LYS 21 2HE LYS 21 14.224 -0.623 -0.293
143 HE3 LYS 21 1HE LYS 21 14.065 1.124 -0.467
144 HZ1 LYS 21 3HZ LYS 21 11.671 0.684 0.382
145 HZ2 LYS 21 1HZ LYS 21 12.952 0.718 1.487
146 HZ3 LYS 21 2HZ LYS 21 12.321 -0.763 0.971
147 H PHE 22 H PHE 22 7.920 -2.174 -2.485
148 HA PHE 22 HA PHE 22 6.497 -0.081 -3.944
149 HB2 PHE 22 2HB PHE 22 6.433 -2.844 -5.076
150 HB3 PHE 22 1HB PHE 22 6.106 -1.313 -5.866
151 HD1 PHE 22 1HD PHE 22 7.990 0.161 -6.533
152 HD2 PHE 22 2HD PHE 22 8.605 -3.799 -5.097
153 HE1 PHE 22 1HE PHE 22 10.253 0.169 -7.495
154 HE2 PHE 22 2HE PHE 22 10.871 -3.796 -6.054
155 HZ PHE 22 HZ PHE 22 11.698 -1.811 -7.254
156 H GLY 23 H GLY 23 4.241 -0.515 -4.178
157 HA2 GLY 23 2HA GLY 23 2.779 -2.621 -3.249
158 HA3 GLY 23 1HA GLY 23 3.133 -1.676 -1.810
159 H PHE 24 H PHE 24 0.567 -2.183 -2.880
160 HA PHE 24 HA PHE 24 -0.511 0.444 -2.852
161 HB2 PHE 24 2HB PHE 24 -1.595 0.429 -5.060
162 HB3 PHE 24 1HB PHE 24 0.157 0.438 -5.217
163 HD1 PHE 24 2HD PHE 24 1.340 -1.669 -5.859
164 HD2 PHE 24 1HD PHE 24 -2.902 -1.318 -5.957
165 HE1 PHE 24 2HE PHE 24 1.214 -3.640 -7.326
166 HE2 PHE 24 1HE PHE 24 -3.033 -3.287 -7.426
167 HZ PHE 24 HZ PHE 24 -0.974 -4.450 -8.112
168 H CYS 25 H CYS 25 -3.010 0.209 -3.388
169 HA CYS 25 HA CYS 25 -3.996 -1.699 -1.556
170 HB2 CYS 25 2HB CYS 25 -5.642 -0.272 -3.646
171 HB3 CYS 25 1HB CYS 25 -6.169 -0.861 -2.072
172 H ALA 26 H ALA 26 -4.042 -3.805 -1.889
173 HA ALA 26 HA ALA 26 -5.053 -4.783 -4.476
174 HB1 ALA 26 1HB ALA 26 -3.437 -6.604 -4.457
175 HB2 ALA 26 2HB ALA 26 -2.731 -5.980 -2.967
176 HB3 ALA 26 3HB ALA 26 -2.617 -5.043 -4.455
177 H GLY 27 H GLY 27 -7.073 -5.262 -3.678
178 HA2 GLY 27 2HA GLY 27 -7.373 -7.749 -2.364
179 HA3 GLY 27 1HA GLY 27 -7.672 -6.439 -1.231
180 HA PRO 28 HA PRO 28 -11.160 -6.840 -4.616
181 HB2 PRO 28 2HB PRO 28 -12.135 -9.387 -4.514
182 HB3 PRO 28 1HB PRO 28 -10.935 -8.848 -5.693
183 HG2 PRO 28 2HG PRO 28 -10.546 -10.373 -3.151
184 HG3 PRO 28 1HG PRO 28 -9.755 -10.591 -4.723
185 HD2 PRO 28 2HD PRO 28 -8.569 -9.319 -2.641
186 HD3 PRO 28 1HD PRO 28 -8.240 -8.903 -4.334
187 H LEU 29 H LEU 29 -11.001 -8.716 -1.611
188 HA LEU 29 HA LEU 29 -13.756 -8.190 -0.953
189 HB2 LEU 29 2HB LEU 29 -11.508 -9.370 0.688
190 HB3 LEU 29 1HB LEU 29 -13.173 -9.257 1.223
191 HG LEU 29 HG LEU 29 -13.534 -10.605 -1.085
192 HD11 LEU 29 1HD1 LEU 29 -10.843 -11.486 -0.052
193 HD12 LEU 29 2HD1 LEU 29 -11.158 -10.702 -1.600
194 HD13 LEU 29 3HD1 LEU 29 -11.800 -12.313 -1.281
195 HD21 LEU 29 3HD2 LEU 29 -13.666 -12.625 0.291
196 HD22 LEU 29 1HD2 LEU 29 -14.396 -11.238 1.101
197 HD23 LEU 29 2HD2 LEU 29 -12.795 -11.800 1.584
198 H ARG 30 H ARG 30 -10.586 -7.055 0.051
199 HA ARG 30 HA ARG 30 -11.815 -4.636 1.136
200 HB2 ARG 30 2HB ARG 30 -9.868 -6.426 2.590
201 HB3 ARG 30 1HB ARG 30 -10.074 -4.732 3.009
202 HG2 ARG 30 2HG ARG 30 -12.137 -6.916 3.167
203 HG3 ARG 30 1HG ARG 30 -11.390 -6.035 4.501
204 HD2 ARG 30 2HD ARG 30 -12.425 -3.956 3.670
205 HD3 ARG 30 1HD ARG 30 -13.219 -4.883 2.399
206 HE ARG 30 HE ARG 30 -13.790 -5.068 5.279
207 HH11 ARG 30 1HH1 ARG 30 -14.653 -5.763 1.952
208 HH12 ARG 30 2HH1 ARG 30 -16.281 -6.224 2.342
209 HH21 ARG 30 1HH2 ARG 30 -15.935 -5.687 5.793
210 HH22 ARG 30 2HH2 ARG 30 -17.009 -6.184 4.529
211 H ALA 31 H ALA 31 -11.003 -3.103 -0.127
212 HA ALA 31 HA ALA 31 -8.538 -3.395 -1.531
213 HB1 ALA 31 1HB ALA 31 -10.448 -2.196 -2.482
214 HB2 ALA 31 2HB ALA 31 -9.003 -1.187 -2.427
215 HB3 ALA 31 3HB ALA 31 -10.285 -0.957 -1.238
216 H THR 32 H THR 32 -7.279 -3.756 0.491
217 HA THR 32 HA THR 32 -6.490 -1.239 1.789
218 HB THR 32 HB THR 32 -7.160 -3.124 3.281
219 HG1 THR 32 1HG THR 32 -4.675 -3.073 4.156
220 HG21 THR 32 3HG2 THR 32 -6.361 -4.996 1.934
221 HG22 THR 32 1HG2 THR 32 -5.637 -5.035 3.543
222 HG23 THR 32 2HG2 THR 32 -4.695 -4.467 2.165
223 H CYS 33 H CYS 33 -4.133 -0.924 2.130
224 HA CYS 33 HA CYS 33 -2.742 -1.330 -0.327
225 HB2 CYS 33 2HB CYS 33 -1.682 -0.314 2.314
226 HB3 CYS 33 1HB CYS 33 -0.851 -0.207 0.772
227 H THR 34 H THR 34 -1.431 -2.851 -0.901
228 HA THR 34 HA THR 34 -0.331 -4.690 1.122
229 HB THR 34 HB THR 34 -1.015 -5.612 -1.652
230 HG1 THR 34 1HG THR 34 -2.764 -5.092 0.479
231 HG21 THR 34 3HG2 THR 34 0.370 -7.048 -0.220
232 HG22 THR 34 1HG2 THR 34 -1.200 -7.785 -0.541
233 HG23 THR 34 2HG2 THR 34 -0.886 -7.022 1.018
234 H CYS 35 H CYS 35 1.831 -4.811 1.042
235 HA CYS 35 HA CYS 35 3.151 -3.792 -1.375
236 HB2 CYS 35 2HB CYS 35 3.999 -3.709 1.517
237 HB3 CYS 35 1HB CYS 35 5.082 -3.316 0.184
238 H GLY 36 H GLY 36 5.433 -4.664 -1.649
239 HA2 GLY 36 2HA GLY 36 5.333 -7.415 -2.144
240 HA3 GLY 36 1HA GLY 36 6.794 -6.443 -2.136
241 H LYS 37 H LYS 37 6.404 -5.695 0.676
242 HA LYS 37 HA LYS 37 7.194 -8.251 1.900
243 HB2 LYS 37 2HB LYS 37 8.137 -5.446 2.529
244 HB3 LYS 37 1HB LYS 37 8.520 -6.855 3.508
245 HG2 LYS 37 2HG LYS 37 9.527 -7.853 1.398
246 HG3 LYS 37 1HG LYS 37 9.409 -6.232 0.712
247 HD2 LYS 37 2HD LYS 37 11.613 -6.495 1.607
248 HD3 LYS 37 1HD LYS 37 10.727 -5.395 2.665
249 HE2 LYS 37 2HE LYS 37 10.313 -7.199 4.236
250 HE3 LYS 37 1HE LYS 37 11.108 -8.347 3.160
251 HZ1 LYS 37 3HZ LYS 37 12.407 -6.030 4.491
252 HZ2 LYS 37 1HZ LYS 37 13.174 -7.113 3.442
253 HZ3 LYS 37 2HZ LYS 37 12.584 -7.652 4.931
254 H GLN 38 H GLN 38 4.531 -7.312 1.650
255 HA GLN 38 HA GLN 38 2.616 -7.090 2.829
256 HB2 GLN 38 2HB GLN 38 4.476 -8.211 4.886
257 HB3 GLN 38 1HB GLN 38 2.899 -7.634 5.399
258 HG2 GLN 38 2HG GLN 38 2.898 -10.034 4.980
259 HG3 GLN 38 1HG GLN 38 1.809 -9.182 3.888
260 HE21 GLN 38 1HE2 GLN 38 4.882 -10.824 4.157
261 HE22 GLN 38 2HE2 GLN 38 5.075 -11.146 2.471
Start of MODEL 19
1 H1 GLY 1 1HT GLY 1 -8.680 2.726 -3.127
2 H2 GLY 1 2HT GLY 1 -10.235 2.536 -2.488
3 H3 GLY 1 3HT GLY 1 -9.641 1.414 -3.607
4 HA2 GLY 1 1HA GLY 1 -9.548 0.457 -1.420
5 HA3 GLY 1 2HA GLY 1 -7.918 0.746 -2.023
6 H PHE 2 H PHE 2 -7.279 0.711 0.238
7 HA PHE 2 HA PHE 2 -8.168 2.459 2.202
8 HB2 PHE 2 2HB PHE 2 -6.625 0.581 2.619
9 HB3 PHE 2 1HB PHE 2 -5.349 1.441 1.766
10 HD1 PHE 2 1HD PHE 2 -7.630 1.745 4.686
11 HD2 PHE 2 2HD PHE 2 -3.906 2.823 2.932
12 HE1 PHE 2 1HE PHE 2 -6.949 2.813 6.797
13 HE2 PHE 2 2HE PHE 2 -3.218 3.893 5.037
14 HZ PHE 2 HZ PHE 2 -4.740 3.888 6.974
15 H GLY 3 H GLY 3 -5.483 2.926 -0.092
16 HA2 GLY 3 2HA GLY 3 -5.643 5.815 0.486
17 HA3 GLY 3 1HA GLY 3 -4.163 4.992 0.010
18 H CYS 4 H CYS 4 -4.555 3.671 -2.129
19 HA CYS 4 HA CYS 4 -4.828 5.521 -4.205
20 HB2 CYS 4 2HB CYS 4 -5.216 2.967 -5.301
21 HB3 CYS 4 1HB CYS 4 -3.690 3.836 -5.144
22 HA PRO 5 HA PRO 5 -5.228 5.691 -6.159
23 HB2 PRO 5 2HB PRO 5 -6.927 7.161 -7.847
24 HB3 PRO 5 1HB PRO 5 -6.249 5.567 -8.173
25 HG2 PRO 5 2HG PRO 5 -8.964 6.178 -7.782
26 HG3 PRO 5 1HG PRO 5 -8.243 4.560 -7.802
27 HD2 PRO 5 2HD PRO 5 -9.001 6.271 -5.480
28 HD3 PRO 5 1HD PRO 5 -9.039 4.501 -5.644
29 H PHE 6 H PHE 6 -7.363 7.164 -4.100
30 HA PHE 6 HA PHE 6 -7.015 9.910 -4.688
31 HB2 PHE 6 2HB PHE 6 -7.650 8.617 -2.026
32 HB3 PHE 6 1HB PHE 6 -7.890 10.312 -2.436
33 HD1 PHE 6 1HD PHE 6 -9.526 10.866 -4.299
34 HD2 PHE 6 2HD PHE 6 -9.309 7.040 -2.449
35 HE1 PHE 6 1HE PHE 6 -11.793 10.352 -5.106
36 HE2 PHE 6 2HE PHE 6 -11.575 6.518 -3.253
37 HZ PHE 6 HZ PHE 6 -12.820 8.175 -4.585
38 H ASN 7 H ASN 7 -5.706 8.125 -1.904
39 HA ASN 7 HA ASN 7 -3.375 9.915 -1.967
40 HB2 ASN 7 2HB ASN 7 -4.721 8.403 0.262
41 HB3 ASN 7 1HB ASN 7 -3.052 8.944 0.421
42 HD21 ASN 7 1HD2 ASN 7 -2.744 11.306 -0.218
43 HD22 ASN 7 2HD2 ASN 7 -3.920 12.410 0.422
44 H GLU 8 H GLU 8 -3.022 8.290 -3.852
45 HA GLU 8 HA GLU 8 -2.120 5.679 -3.236
46 HB2 GLU 8 2HB GLU 8 -2.882 6.658 -5.499
47 HB3 GLU 8 1HB GLU 8 -1.233 7.249 -5.638
48 HG2 GLU 8 2HG GLU 8 -0.363 5.172 -5.947
49 HG3 GLU 8 1HG GLU 8 -1.624 4.382 -4.999
50 H ASN 9 H ASN 9 -0.468 8.758 -3.687
51 HA ASN 9 HA ASN 9 2.167 7.746 -3.507
52 HB2 ASN 9 2HB ASN 9 0.933 10.462 -3.139
53 HB3 ASN 9 1HB ASN 9 2.624 10.202 -2.725
54 HD21 ASN 9 1HD2 ASN 9 1.468 11.875 -4.791
55 HD22 ASN 9 2HD2 ASN 9 2.139 11.328 -6.285
56 H GLU 10 H GLU 10 -0.172 8.839 -1.127
57 HA GLU 10 HA GLU 10 1.631 8.789 1.077
58 HB2 GLU 10 2HB GLU 10 -1.385 8.756 0.926
59 HB3 GLU 10 1HB GLU 10 -0.500 8.796 2.444
60 HG2 GLU 10 2HG GLU 10 -1.206 11.018 1.861
61 HG3 GLU 10 1HG GLU 10 0.549 10.913 1.758
62 H CYS 11 H CYS 11 -0.652 6.490 -0.303
63 HA CYS 11 HA CYS 11 -0.371 4.473 1.660
64 HB2 CYS 11 2HB CYS 11 -2.211 4.357 0.122
65 HB3 CYS 11 1HB CYS 11 -1.138 4.405 -1.269
66 H HIS 12 H HIS 12 1.263 5.091 -1.401
67 HA HIS 12 HA HIS 12 3.028 2.896 -1.310
68 HB2 HIS 12 2HB HIS 12 2.447 4.460 -3.283
69 HB3 HIS 12 1HB HIS 12 3.672 5.535 -2.619
70 HD1 HIS 12 1HD HIS 12 3.261 2.736 -4.874
71 HD2 HIS 12 2HD HIS 12 6.296 4.213 -2.462
72 HE1 HIS 12 1HE HIS 12 5.384 1.696 -5.742
73 HE2 HIS 12 2HE HIS 12 7.187 2.485 -4.170
74 H ALA 13 H ALA 13 3.313 6.257 -0.207
75 HA ALA 13 HA ALA 13 5.980 6.127 0.685
76 HB1 ALA 13 1HB ALA 13 3.740 7.863 1.726
77 HB2 ALA 13 2HB ALA 13 4.791 8.243 0.361
78 HB3 ALA 13 3HB ALA 13 5.465 8.125 1.987
79 H HIS 14 H HIS 14 2.900 5.446 2.292
80 HA HIS 14 HA HIS 14 3.823 4.991 4.879
81 HB2 HIS 14 2HB HIS 14 1.440 5.005 4.371
82 HB3 HIS 14 1HB HIS 14 1.610 3.573 3.373
83 HD1 HIS 14 1HD HIS 14 2.534 4.387 6.993
84 HD2 HIS 14 2HD HIS 14 0.711 1.421 4.716
85 HE1 HIS 14 1HE HIS 14 1.924 2.565 8.618
86 HE2 HIS 14 2HE HIS 14 0.960 0.723 7.194
87 H CYS 15 H CYS 15 3.361 2.692 2.232
88 HA CYS 15 HA CYS 15 4.473 0.450 3.454
89 HB2 CYS 15 2HB CYS 15 4.066 1.307 0.644
90 HB3 CYS 15 1HB CYS 15 5.199 -0.013 0.909
91 H LEU 16 H LEU 16 6.027 3.063 1.736
92 HA LEU 16 HA LEU 16 8.646 2.019 1.694
93 HB2 LEU 16 2HB LEU 16 7.363 4.627 1.244
94 HB3 LEU 16 1HB LEU 16 9.026 4.717 1.786
95 HG LEU 16 HG LEU 16 9.816 3.538 -0.124
96 HD11 LEU 16 1HD1 LEU 16 8.331 2.563 -1.794
97 HD12 LEU 16 2HD1 LEU 16 6.931 3.012 -0.819
98 HD13 LEU 16 3HD1 LEU 16 8.086 1.825 -0.212
99 HD21 LEU 16 3HD2 LEU 16 7.659 5.477 -0.948
100 HD22 LEU 16 1HD2 LEU 16 8.956 4.898 -1.995
101 HD23 LEU 16 2HD2 LEU 16 9.338 5.864 -0.569
102 H SER 17 H SER 17 6.795 3.618 4.159
103 HA SER 17 HA SER 17 8.997 4.371 5.808
104 HB2 SER 17 2HB SER 17 6.187 3.895 6.792
105 HB3 SER 17 1HB SER 17 7.389 5.028 7.409
106 HG SER 17 HG SER 17 6.802 5.463 4.780
107 H ILE 18 H ILE 18 7.385 1.367 5.235
108 HA ILE 18 HA ILE 18 8.421 0.328 7.780
109 HB ILE 18 HB ILE 18 7.077 -1.799 6.709
110 HG12 ILE 18 2HG1 ILE 18 5.484 0.688 6.044
111 HG13 ILE 18 1HG1 ILE 18 6.192 -0.412 4.867
112 HG21 ILE 18 1HG2 ILE 18 5.382 -1.317 8.381
113 HG22 ILE 18 2HG2 ILE 18 5.934 0.354 8.485
114 HG23 ILE 18 3HG2 ILE 18 6.989 -0.958 9.011
115 HD11 ILE 18 3HD1 ILE 18 3.806 -0.796 5.144
116 HD12 ILE 18 1HD1 ILE 18 4.051 -1.117 6.861
117 HD13 ILE 18 2HD1 ILE 18 4.744 -2.200 5.653
118 H GLY 19 H GLY 19 10.040 0.982 5.433
119 HA2 GLY 19 2HA GLY 19 12.080 0.068 4.777
120 HA3 GLY 19 1HA GLY 19 11.565 -1.485 5.408
121 H ARG 20 H ARG 20 9.011 -1.133 3.747
122 HA ARG 20 HA ARG 20 9.923 -2.657 1.532
123 HB2 ARG 20 2HB ARG 20 7.260 -1.386 2.157
124 HB3 ARG 20 1HB ARG 20 7.541 -2.337 0.705
125 HG2 ARG 20 2HG ARG 20 6.671 -3.936 2.078
126 HG3 ARG 20 1HG ARG 20 8.388 -4.130 2.433
127 HD2 ARG 20 2HD ARG 20 8.208 -3.027 4.484
128 HD3 ARG 20 1HD ARG 20 6.669 -2.283 4.054
129 HE ARG 20 HE ARG 20 5.815 -4.711 4.116
130 HH11 ARG 20 1HH1 ARG 20 8.325 -3.406 6.206
131 HH12 ARG 20 2HH1 ARG 20 8.005 -4.530 7.486
132 HH21 ARG 20 1HH2 ARG 20 5.381 -6.168 5.799
133 HH22 ARG 20 2HH2 ARG 20 6.329 -6.101 7.260
134 H LYS 21 H LYS 21 9.725 -2.093 -0.742
135 HA LYS 21 HA LYS 21 10.325 0.746 -1.165
136 HB2 LYS 21 2HB LYS 21 11.117 -1.699 -2.734
137 HB3 LYS 21 1HB LYS 21 11.389 -0.057 -3.306
138 HG2 LYS 21 2HG LYS 21 12.452 -1.134 -0.704
139 HG3 LYS 21 1HG LYS 21 13.364 -1.101 -2.215
140 HD2 LYS 21 2HD LYS 21 13.732 1.122 -2.092
141 HD3 LYS 21 1HD LYS 21 12.126 1.455 -1.440
142 HE2 LYS 21 2HE LYS 21 14.325 0.194 0.182
143 HE3 LYS 21 1HE LYS 21 14.088 1.938 0.089
144 HZ1 LYS 21 3HZ LYS 21 12.421 -0.102 1.385
145 HZ2 LYS 21 1HZ LYS 21 11.659 1.278 0.763
146 HZ3 LYS 21 2HZ LYS 21 12.869 1.433 1.934
147 H PHE 22 H PHE 22 8.021 -1.636 -1.821
148 HA PHE 22 HA PHE 22 6.610 0.232 -3.575
149 HB2 PHE 22 2HB PHE 22 6.374 -2.694 -4.142
150 HB3 PHE 22 1HB PHE 22 6.047 -1.333 -5.197
151 HD1 PHE 22 2HD PHE 22 7.935 -0.083 -6.222
152 HD2 PHE 22 1HD PHE 22 8.508 -3.730 -4.102
153 HE1 PHE 22 2HE PHE 22 10.142 -0.345 -7.276
154 HE2 PHE 22 1HE PHE 22 10.717 -3.997 -5.154
155 HZ PHE 22 HZ PHE 22 11.536 -2.304 -6.742
156 H GLY 23 H GLY 23 4.302 -0.155 -3.613
157 HA2 GLY 23 2HA GLY 23 2.928 -1.987 -2.053
158 HA3 GLY 23 1HA GLY 23 3.280 -0.616 -1.011
159 H PHE 24 H PHE 24 0.753 -1.723 -2.124
160 HA PHE 24 HA PHE 24 -0.503 0.786 -2.712
161 HB2 PHE 24 2HB PHE 24 -1.497 0.094 -4.870
162 HB3 PHE 24 1HB PHE 24 0.250 0.262 -4.974
163 HD1 PHE 24 1HD PHE 24 1.679 -1.762 -5.094
164 HD2 PHE 24 2HD PHE 24 -2.569 -1.988 -5.258
165 HE1 PHE 24 1HE PHE 24 1.838 -4.036 -6.021
166 HE2 PHE 24 2HE PHE 24 -2.416 -4.263 -6.182
167 HZ PHE 24 HZ PHE 24 -0.210 -5.289 -6.564
168 H CYS 25 H CYS 25 -2.918 0.454 -2.924
169 HA CYS 25 HA CYS 25 -3.716 -1.412 -0.901
170 HB2 CYS 25 2HB CYS 25 -6.009 -0.497 -1.328
171 HB3 CYS 25 1HB CYS 25 -4.805 0.706 -0.887
172 H ALA 26 H ALA 26 -3.966 -3.464 -1.278
173 HA ALA 26 HA ALA 26 -5.321 -4.295 -3.756
174 HB1 ALA 26 1HB ALA 26 -2.989 -5.689 -2.441
175 HB2 ALA 26 2HB ALA 26 -2.936 -4.781 -3.952
176 HB3 ALA 26 3HB ALA 26 -3.877 -6.268 -3.850
177 H GLY 27 H GLY 27 -5.959 -6.739 -3.465
178 HA2 GLY 27 2HA GLY 27 -6.639 -8.411 -1.811
179 HA3 GLY 27 1HA GLY 27 -7.084 -7.076 -0.758
180 HA PRO 28 HA PRO 28 -10.484 -8.318 -4.059
181 HB2 PRO 28 2HB PRO 28 -11.149 -10.701 -2.447
182 HB3 PRO 28 1HB PRO 28 -11.013 -10.536 -4.199
183 HG2 PRO 28 2HG PRO 28 -9.171 -11.863 -2.778
184 HG3 PRO 28 1HG PRO 28 -8.728 -10.885 -4.190
185 HD2 PRO 28 2HD PRO 28 -8.482 -10.230 -1.277
186 HD3 PRO 28 1HD PRO 28 -7.339 -9.919 -2.601
187 H LEU 29 H LEU 29 -10.348 -8.871 -0.584
188 HA LEU 29 HA LEU 29 -12.921 -7.472 -0.310
189 HB2 LEU 29 2HB LEU 29 -11.727 -9.595 1.481
190 HB3 LEU 29 1HB LEU 29 -13.199 -8.706 1.824
191 HG LEU 29 HG LEU 29 -12.819 -10.532 -0.551
192 HD11 LEU 29 1HD1 LEU 29 -14.279 -12.080 0.646
193 HD12 LEU 29 2HD1 LEU 29 -14.276 -11.006 2.045
194 HD13 LEU 29 3HD1 LEU 29 -12.782 -11.792 1.532
195 HD21 LEU 29 3HD2 LEU 29 -15.273 -9.172 0.560
196 HD22 LEU 29 1HD2 LEU 29 -15.248 -10.324 -0.776
197 HD23 LEU 29 2HD2 LEU 29 -14.446 -8.763 -0.943
198 H ARG 30 H ARG 30 -12.643 -5.505 0.452
199 HA ARG 30 HA ARG 30 -11.895 -3.722 1.641
200 HB2 ARG 30 2HB ARG 30 -11.059 -5.986 3.404
201 HB3 ARG 30 1HB ARG 30 -10.466 -4.370 3.760
202 HG2 ARG 30 2HG ARG 30 -13.378 -5.075 3.473
203 HG3 ARG 30 1HG ARG 30 -12.512 -5.007 5.009
204 HD2 ARG 30 2HD ARG 30 -12.998 -2.746 3.078
205 HD3 ARG 30 1HD ARG 30 -13.664 -2.929 4.700
206 HE ARG 30 HE ARG 30 -10.840 -2.924 4.807
207 HH11 ARG 30 1HH1 ARG 30 -13.553 -0.768 4.308
208 HH12 ARG 30 2HH1 ARG 30 -12.715 0.634 4.883
209 HH21 ARG 30 1HH2 ARG 30 -9.724 -1.079 5.568
210 HH22 ARG 30 2HH2 ARG 30 -10.528 0.456 5.607
211 H ALA 31 H ALA 31 -10.606 -3.632 -0.432
212 HA ALA 31 HA ALA 31 -7.939 -4.334 -0.662
213 HB1 ALA 31 1HB ALA 31 -9.323 -3.536 -2.519
214 HB2 ALA 31 2HB ALA 31 -7.795 -2.662 -2.414
215 HB3 ALA 31 3HB ALA 31 -9.283 -1.909 -1.841
216 H THR 32 H THR 32 -6.681 -3.979 1.080
217 HA THR 32 HA THR 32 -6.309 -1.205 1.991
218 HB THR 32 HB THR 32 -5.376 -3.699 3.426
219 HG1 THR 32 1HG THR 32 -7.687 -3.718 3.138
220 HG21 THR 32 3HG2 THR 32 -5.396 -2.239 5.394
221 HG22 THR 32 1HG2 THR 32 -5.950 -0.893 4.398
222 HG23 THR 32 2HG2 THR 32 -4.349 -1.584 4.136
223 H CYS 33 H CYS 33 -4.029 -0.566 2.427
224 HA CYS 33 HA CYS 33 -2.417 -1.078 0.201
225 HB2 CYS 33 2HB CYS 33 -1.633 0.084 2.862
226 HB3 CYS 33 1HB CYS 33 -0.624 0.102 1.429
227 H THR 34 H THR 34 -1.255 -2.638 -0.314
228 HA THR 34 HA THR 34 -0.051 -4.401 1.711
229 HB THR 34 HB THR 34 -0.618 -5.349 -1.078
230 HG1 THR 34 1HG THR 34 -2.526 -4.517 0.603
231 HG21 THR 34 3HG2 THR 34 0.727 -6.742 0.412
232 HG22 THR 34 1HG2 THR 34 -0.819 -7.517 0.062
233 HG23 THR 34 2HG2 THR 34 -0.562 -6.719 1.615
234 H CYS 35 H CYS 35 2.113 -4.350 1.653
235 HA CYS 35 HA CYS 35 3.401 -2.904 -0.492
236 HB2 CYS 35 2HB CYS 35 4.769 -4.201 1.851
237 HB3 CYS 35 1HB CYS 35 5.307 -2.824 0.894
238 H GLY 36 H GLY 36 5.454 -3.768 -1.421
239 HA2 GLY 36 2HA GLY 36 5.022 -6.050 -2.923
240 HA3 GLY 36 1HA GLY 36 6.601 -5.336 -2.644
241 H LYS 37 H LYS 37 6.917 -5.788 0.067
242 HA LYS 37 HA LYS 37 7.082 -8.721 0.122
243 HB2 LYS 37 2HB LYS 37 8.815 -6.586 1.359
244 HB3 LYS 37 1HB LYS 37 8.871 -8.256 1.905
245 HG2 LYS 37 2HG LYS 37 9.389 -8.913 -0.460
246 HG3 LYS 37 1HG LYS 37 9.559 -7.193 -0.822
247 HD2 LYS 37 2HD LYS 37 11.350 -6.986 0.780
248 HD3 LYS 37 1HD LYS 37 11.122 -8.656 1.303
249 HE2 LYS 37 2HE LYS 37 11.709 -9.406 -0.982
250 HE3 LYS 37 1HE LYS 37 12.031 -7.729 -1.419
251 HZ1 LYS 37 3HZ LYS 37 14.062 -8.909 -0.842
252 HZ2 LYS 37 1HZ LYS 37 13.448 -9.261 0.695
253 HZ3 LYS 37 2HZ LYS 37 13.767 -7.658 0.258
254 H GLN 38 H GLN 38 4.693 -7.577 0.761
255 HA GLN 38 HA GLN 38 3.042 -7.534 2.305
256 HB2 GLN 38 2HB GLN 38 4.174 -9.860 2.715
257 HB3 GLN 38 1HB GLN 38 4.751 -9.116 4.200
258 HG2 GLN 38 2HG GLN 38 2.533 -8.763 4.981
259 HG3 GLN 38 1HG GLN 38 1.849 -9.212 3.420
260 HE21 GLN 38 1HE2 GLN 38 1.819 -11.381 2.816
261 HE22 GLN 38 2HE2 GLN 38 1.989 -12.651 3.975
Start of MODEL 20
1 H1 GLY 1 1HT GLY 1 -9.172 2.770 -2.448
2 H2 GLY 1 2HT GLY 1 -10.595 2.685 -1.539
3 H3 GLY 1 3HT GLY 1 -10.327 1.576 -2.788
4 HA2 GLY 1 1HA GLY 1 -9.914 0.466 -0.736
5 HA3 GLY 1 2HA GLY 1 -8.378 0.722 -1.558
6 H PHE 2 H PHE 2 -7.275 0.598 0.458
7 HA PHE 2 HA PHE 2 -7.854 2.243 2.669
8 HB2 PHE 2 2HB PHE 2 -6.352 0.215 2.660
9 HB3 PHE 2 1HB PHE 2 -5.124 1.206 1.879
10 HD1 PHE 2 1HD PHE 2 -7.305 1.163 4.900
11 HD2 PHE 2 2HD PHE 2 -3.584 2.312 3.185
12 HE1 PHE 2 1HE PHE 2 -6.527 1.923 7.108
13 HE2 PHE 2 2HE PHE 2 -2.798 3.073 5.389
14 HZ PHE 2 HZ PHE 2 -4.270 2.879 7.354
15 H GLY 3 H GLY 3 -5.351 2.616 0.160
16 HA2 GLY 3 2HA GLY 3 -5.302 5.499 0.780
17 HA3 GLY 3 1HA GLY 3 -3.953 4.603 0.093
18 H CYS 4 H CYS 4 -4.717 3.352 -1.989
19 HA CYS 4 HA CYS 4 -5.171 5.245 -3.990
20 HB2 CYS 4 2HB CYS 4 -5.938 2.484 -4.649
21 HB3 CYS 4 1HB CYS 4 -4.710 3.515 -5.376
22 HA PRO 5 HA PRO 5 -5.837 5.785 -5.638
23 HB2 PRO 5 2HB PRO 5 -7.522 7.247 -7.176
24 HB3 PRO 5 1HB PRO 5 -7.215 5.532 -7.443
25 HG2 PRO 5 2HG PRO 5 -9.643 6.831 -6.522
26 HG3 PRO 5 1HG PRO 5 -9.402 5.146 -7.002
27 HD2 PRO 5 2HD PRO 5 -9.472 6.323 -4.316
28 HD3 PRO 5 1HD PRO 5 -9.611 4.621 -4.802
29 H PHE 6 H PHE 6 -7.700 7.121 -3.272
30 HA PHE 6 HA PHE 6 -7.504 9.895 -3.801
31 HB2 PHE 6 2HB PHE 6 -7.908 8.374 -1.225
32 HB3 PHE 6 1HB PHE 6 -7.967 10.129 -1.334
33 HD1 PHE 6 1HD PHE 6 -9.741 11.213 -2.692
34 HD2 PHE 6 2HD PHE 6 -9.738 7.036 -1.887
35 HE1 PHE 6 1HE PHE 6 -12.122 11.100 -3.302
36 HE2 PHE 6 2HE PHE 6 -12.119 6.912 -2.496
37 HZ PHE 6 HZ PHE 6 -13.315 8.946 -3.206
38 H ASN 7 H ASN 7 -5.627 7.786 -1.639
39 HA ASN 7 HA ASN 7 -3.372 9.659 -1.912
40 HB2 ASN 7 2HB ASN 7 -4.350 8.366 0.647
41 HB3 ASN 7 1HB ASN 7 -2.803 9.187 0.489
42 HD21 ASN 7 1HD2 ASN 7 -2.753 11.433 0.327
43 HD22 ASN 7 2HD2 ASN 7 -4.130 12.407 0.695
44 H GLU 8 H GLU 8 -3.401 7.664 -3.577
45 HA GLU 8 HA GLU 8 -2.451 5.185 -2.611
46 HB2 GLU 8 2HB GLU 8 -1.568 5.284 -5.206
47 HB3 GLU 8 1HB GLU 8 -3.155 4.742 -4.687
48 HG2 GLU 8 2HG GLU 8 -3.596 6.233 -6.410
49 HG3 GLU 8 1HG GLU 8 -3.888 7.167 -4.945
50 H ASN 9 H ASN 9 -0.828 8.022 -3.953
51 HA ASN 9 HA ASN 9 1.787 6.956 -3.866
52 HB2 ASN 9 2HB ASN 9 0.613 9.690 -4.079
53 HB3 ASN 9 1HB ASN 9 2.315 9.559 -3.648
54 HD21 ASN 9 1HD2 ASN 9 -0.086 8.926 -6.098
55 HD22 ASN 9 2HD2 ASN 9 1.034 8.683 -7.394
56 H GLU 10 H GLU 10 -0.197 8.596 -1.495
57 HA GLU 10 HA GLU 10 1.846 9.031 0.427
58 HB2 GLU 10 2HB GLU 10 -1.101 8.665 0.986
59 HB3 GLU 10 1HB GLU 10 0.071 9.540 1.963
60 HG2 GLU 10 2HG GLU 10 -0.799 10.329 -0.808
61 HG3 GLU 10 1HG GLU 10 -1.425 11.019 0.688
62 H CYS 11 H CYS 11 -0.535 6.450 -0.056
63 HA CYS 11 HA CYS 11 0.237 4.930 2.204
64 HB2 CYS 11 2HB CYS 11 -1.843 4.727 0.544
65 HB3 CYS 11 1HB CYS 11 -0.793 3.553 -0.243
66 H HIS 12 H HIS 12 1.339 5.122 -1.110
67 HA HIS 12 HA HIS 12 3.093 2.894 -1.064
68 HB2 HIS 12 2HB HIS 12 2.187 4.161 -3.101
69 HB3 HIS 12 1HB HIS 12 3.426 5.364 -2.771
70 HD1 HIS 12 1HD HIS 12 2.876 2.604 -4.875
71 HD2 HIS 12 2HD HIS 12 6.115 3.861 -2.602
72 HE1 HIS 12 1HE HIS 12 4.894 1.511 -5.907
73 HE2 HIS 12 2HE HIS 12 6.852 2.359 -4.572
74 H ALA 13 H ALA 13 3.557 6.377 -0.522
75 HA ALA 13 HA ALA 13 6.325 6.327 -0.068
76 HB1 ALA 13 1HB ALA 13 5.072 8.395 -0.457
77 HB2 ALA 13 2HB ALA 13 6.011 8.486 1.034
78 HB3 ALA 13 3HB ALA 13 4.271 8.204 1.104
79 H HIS 14 H HIS 14 3.588 6.110 2.182
80 HA HIS 14 HA HIS 14 5.037 5.845 4.562
81 HB2 HIS 14 2HB HIS 14 2.589 6.144 4.491
82 HB3 HIS 14 1HB HIS 14 2.409 4.533 3.826
83 HD1 HIS 14 1HD HIS 14 4.599 5.500 6.773
84 HD2 HIS 14 2HD HIS 14 1.217 3.238 5.907
85 HE1 HIS 14 1HE HIS 14 4.070 4.236 8.884
86 HE2 HIS 14 2HE HIS 14 2.033 2.861 8.332
87 H CYS 15 H CYS 15 3.837 3.421 2.328
88 HA CYS 15 HA CYS 15 4.699 1.107 3.578
89 HB2 CYS 15 2HB CYS 15 3.262 0.902 1.707
90 HB3 CYS 15 1HB CYS 15 4.346 1.827 0.677
91 H LEU 16 H LEU 16 6.426 3.278 1.464
92 HA LEU 16 HA LEU 16 8.783 1.781 1.156
93 HB2 LEU 16 2HB LEU 16 7.882 4.507 0.629
94 HB3 LEU 16 1HB LEU 16 9.589 4.405 1.012
95 HG LEU 16 HG LEU 16 10.012 2.959 -0.839
96 HD11 LEU 16 1HD1 LEU 16 7.028 2.869 -1.257
97 HD12 LEU 16 2HD1 LEU 16 8.030 1.554 -0.640
98 HD13 LEU 16 3HD1 LEU 16 8.244 2.124 -2.295
99 HD21 LEU 16 3HD2 LEU 16 8.117 5.157 -1.659
100 HD22 LEU 16 1HD2 LEU 16 9.233 4.317 -2.737
101 HD23 LEU 16 2HD2 LEU 16 9.858 5.306 -1.417
102 H SER 17 H SER 17 7.634 3.779 3.747
103 HA SER 17 HA SER 17 10.216 4.092 4.986
104 HB2 SER 17 2HB SER 17 7.800 4.500 6.635
105 HB3 SER 17 1HB SER 17 9.186 5.559 6.381
106 HG SER 17 HG SER 17 8.140 5.721 4.131
107 H ILE 18 H ILE 18 7.889 1.588 4.886
108 HA ILE 18 HA ILE 18 8.729 0.564 7.503
109 HB ILE 18 HB ILE 18 6.911 -1.224 6.171
110 HG12 ILE 18 2HG1 ILE 18 5.879 1.596 6.547
111 HG13 ILE 18 1HG1 ILE 18 6.207 0.858 4.983
112 HG21 ILE 18 1HG2 ILE 18 7.366 -1.069 8.592
113 HG22 ILE 18 2HG2 ILE 18 5.648 -0.952 8.212
114 HG23 ILE 18 3HG2 ILE 18 6.561 0.501 8.619
115 HD11 ILE 18 3HD1 ILE 18 4.183 -0.104 6.992
116 HD12 ILE 18 1HD1 ILE 18 4.505 -0.830 5.417
117 HD13 ILE 18 2HD1 ILE 18 3.839 0.800 5.518
118 H GLY 19 H GLY 19 10.543 0.611 5.237
119 HA2 GLY 19 2HA GLY 19 12.285 -0.780 4.620
120 HA3 GLY 19 1HA GLY 19 11.502 -2.088 5.489
121 H ARG 20 H ARG 20 9.270 -0.777 3.409
122 HA ARG 20 HA ARG 20 9.724 -2.951 1.501
123 HB2 ARG 20 2HB ARG 20 7.311 -1.214 2.043
124 HB3 ARG 20 1HB ARG 20 7.387 -2.397 0.745
125 HG2 ARG 20 2HG ARG 20 6.644 -3.925 2.162
126 HG3 ARG 20 1HG ARG 20 8.145 -3.764 3.073
127 HD2 ARG 20 2HD ARG 20 7.207 -2.242 4.579
128 HD3 ARG 20 1HD ARG 20 5.860 -1.870 3.504
129 HE ARG 20 HE ARG 20 4.902 -4.026 4.048
130 HH11 ARG 20 1HH1 ARG 20 7.597 -3.018 6.078
131 HH12 ARG 20 2HH1 ARG 20 7.122 -4.026 7.404
132 HH21 ARG 20 1HH2 ARG 20 4.280 -5.334 5.801
133 HH22 ARG 20 2HH2 ARG 20 5.249 -5.345 7.247
134 H LYS 21 H LYS 21 9.697 -2.544 -0.791
135 HA LYS 21 HA LYS 21 10.523 0.201 -1.406
136 HB2 LYS 21 2HB LYS 21 11.148 -2.361 -2.869
137 HB3 LYS 21 1HB LYS 21 11.594 -0.764 -3.445
138 HG2 LYS 21 2HG LYS 21 12.828 -2.442 -1.380
139 HG3 LYS 21 1HG LYS 21 13.543 -1.226 -2.432
140 HD2 LYS 21 2HD LYS 21 11.926 -0.645 0.052
141 HD3 LYS 21 1HD LYS 21 13.685 -0.637 -0.036
142 HE2 LYS 21 2HE LYS 21 13.754 1.336 -1.187
143 HE3 LYS 21 1HE LYS 21 12.193 1.063 -1.963
144 HZ1 LYS 21 3HZ LYS 21 12.687 1.952 0.824
145 HZ2 LYS 21 1HZ LYS 21 11.168 1.448 0.271
146 HZ3 LYS 21 2HZ LYS 21 11.911 2.809 -0.408
147 H PHE 22 H PHE 22 8.152 -2.153 -2.078
148 HA PHE 22 HA PHE 22 6.810 -0.266 -3.859
149 HB2 PHE 22 2HB PHE 22 6.519 -3.144 -4.548
150 HB3 PHE 22 1HB PHE 22 6.422 -1.733 -5.584
151 HD1 PHE 22 1HD PHE 22 8.471 -0.682 -6.453
152 HD2 PHE 22 2HD PHE 22 8.579 -4.312 -4.233
153 HE1 PHE 22 1HE PHE 22 10.745 -1.120 -7.284
154 HE2 PHE 22 2HE PHE 22 10.854 -4.754 -5.059
155 HZ PHE 22 HZ PHE 22 11.940 -3.156 -6.586
156 H GLY 23 H GLY 23 4.517 -0.584 -3.919
157 HA2 GLY 23 2HA GLY 23 3.032 -2.487 -2.620
158 HA3 GLY 23 1HA GLY 23 3.469 -1.332 -1.371
159 H PHE 24 H PHE 24 0.887 -2.094 -2.652
160 HA PHE 24 HA PHE 24 -0.281 0.496 -2.699
161 HB2 PHE 24 2HB PHE 24 -1.188 0.453 -4.986
162 HB3 PHE 24 1HB PHE 24 0.569 0.539 -5.001
163 HD1 PHE 24 1HD PHE 24 1.894 -1.488 -5.581
164 HD2 PHE 24 2HD PHE 24 -2.343 -1.363 -5.967
165 HE1 PHE 24 1HE PHE 24 1.975 -3.449 -7.064
166 HE2 PHE 24 2HE PHE 24 -2.269 -3.326 -7.449
167 HZ PHE 24 HZ PHE 24 -0.109 -4.371 -7.999
168 H CYS 25 H CYS 25 -2.704 0.241 -3.309
169 HA CYS 25 HA CYS 25 -3.785 -1.720 -1.616
170 HB2 CYS 25 2HB CYS 25 -5.334 -0.348 -3.809
171 HB3 CYS 25 1HB CYS 25 -5.910 -0.875 -2.231
172 H ALA 26 H ALA 26 -3.857 -3.823 -1.957
173 HA ALA 26 HA ALA 26 -4.606 -4.785 -4.636
174 HB1 ALA 26 1HB ALA 26 -3.043 -6.644 -4.420
175 HB2 ALA 26 2HB ALA 26 -2.495 -6.016 -2.866
176 HB3 ALA 26 3HB ALA 26 -2.198 -5.099 -4.344
177 H GLY 27 H GLY 27 -6.714 -5.223 -4.081
178 HA2 GLY 27 2HA GLY 27 -7.274 -7.700 -2.897
179 HA3 GLY 27 1HA GLY 27 -7.558 -6.447 -1.697
180 HA PRO 28 HA PRO 28 -10.990 -6.771 -5.137
181 HB2 PRO 28 2HB PRO 28 -12.206 -9.006 -3.653
182 HB3 PRO 28 1HB PRO 28 -11.942 -8.826 -5.389
183 HG2 PRO 28 2HG PRO 28 -10.501 -10.546 -3.918
184 HG3 PRO 28 1HG PRO 28 -9.795 -9.667 -5.285
185 HD2 PRO 28 2HD PRO 28 -9.546 -9.126 -2.349
186 HD3 PRO 28 1HD PRO 28 -8.307 -9.039 -3.620
187 H LEU 29 H LEU 29 -11.712 -7.966 -1.854
188 HA LEU 29 HA LEU 29 -13.812 -5.969 -1.592
189 HB2 LEU 29 2HB LEU 29 -12.946 -8.152 0.311
190 HB3 LEU 29 1HB LEU 29 -14.358 -7.131 0.506
191 HG LEU 29 HG LEU 29 -13.952 -9.085 -1.761
192 HD11 LEU 29 1HD1 LEU 29 -15.661 -9.300 0.712
193 HD12 LEU 29 2HD1 LEU 29 -14.209 -10.240 0.367
194 HD13 LEU 29 3HD1 LEU 29 -15.647 -10.437 -0.636
195 HD21 LEU 29 3HD2 LEU 29 -16.358 -7.468 -0.929
196 HD22 LEU 29 1HD2 LEU 29 -16.316 -8.670 -2.219
197 HD23 LEU 29 2HD2 LEU 29 -15.365 -7.191 -2.360
198 H ARG 30 H ARG 30 -11.068 -7.082 0.379
199 HA ARG 30 HA ARG 30 -10.971 -4.492 1.702
200 HB2 ARG 30 2HB ARG 30 -9.591 -7.126 2.184
201 HB3 ARG 30 1HB ARG 30 -9.054 -5.653 2.979
202 HG2 ARG 30 2HG ARG 30 -11.359 -5.392 3.893
203 HG3 ARG 30 1HG ARG 30 -11.741 -6.982 3.228
204 HD2 ARG 30 2HD ARG 30 -10.002 -7.995 4.580
205 HD3 ARG 30 1HD ARG 30 -9.527 -6.413 5.194
206 HE ARG 30 HE ARG 30 -12.261 -7.330 5.680
207 HH11 ARG 30 1HH1 ARG 30 -9.060 -6.638 6.902
208 HH12 ARG 30 2HH1 ARG 30 -9.543 -6.654 8.565
209 HH21 ARG 30 1HH2 ARG 30 -12.917 -7.353 7.880
210 HH22 ARG 30 2HH2 ARG 30 -11.747 -7.063 9.123
211 H ALA 31 H ALA 31 -10.351 -3.365 -0.221
212 HA ALA 31 HA ALA 31 -7.890 -3.933 -1.549
213 HB1 ALA 31 1HB ALA 31 -8.275 -1.851 -2.741
214 HB2 ALA 31 2HB ALA 31 -9.556 -1.421 -1.607
215 HB3 ALA 31 3HB ALA 31 -9.753 -2.811 -2.675
216 H THR 32 H THR 32 -6.918 -4.020 0.776
217 HA THR 32 HA THR 32 -6.047 -1.450 1.797
218 HB THR 32 HB THR 32 -4.755 -3.928 2.776
219 HG1 THR 32 1HG THR 32 -6.677 -4.907 2.703
220 HG21 THR 32 3HG2 THR 32 -4.457 -1.768 3.889
221 HG22 THR 32 1HG2 THR 32 -5.268 -2.918 4.953
222 HG23 THR 32 2HG2 THR 32 -6.197 -1.654 4.147
223 H CYS 33 H CYS 33 -3.776 -0.854 1.913
224 HA CYS 33 HA CYS 33 -2.400 -1.400 -0.510
225 HB2 CYS 33 2HB CYS 33 -1.197 -0.164 1.958
226 HB3 CYS 33 1HB CYS 33 -0.663 0.032 0.298
227 H THR 34 H THR 34 -1.304 -3.096 -0.971
228 HA THR 34 HA THR 34 -0.045 -4.680 1.173
229 HB THR 34 HB THR 34 -0.543 -5.739 -1.593
230 HG1 THR 34 1HG THR 34 -2.449 -4.917 0.143
231 HG21 THR 34 3HG2 THR 34 -0.712 -7.870 -0.393
232 HG22 THR 34 1HG2 THR 34 -0.501 -7.027 1.142
233 HG23 THR 34 2HG2 THR 34 0.813 -7.060 -0.034
234 H CYS 35 H CYS 35 2.133 -4.846 1.158
235 HA CYS 35 HA CYS 35 3.530 -3.679 -1.148
236 HB2 CYS 35 2HB CYS 35 4.465 -3.969 1.710
237 HB3 CYS 35 1HB CYS 35 5.356 -3.188 0.406
238 H GLY 36 H GLY 36 5.888 -4.527 -1.288
239 HA2 GLY 36 2HA GLY 36 5.822 -7.212 -2.087
240 HA3 GLY 36 1HA GLY 36 7.284 -6.270 -1.834
241 H LYS 37 H LYS 37 6.797 -5.763 0.943
242 HA LYS 37 HA LYS 37 7.417 -8.425 2.027
243 HB2 LYS 37 2HB LYS 37 8.113 -5.672 3.079
244 HB3 LYS 37 1HB LYS 37 8.494 -7.179 3.897
245 HG2 LYS 37 2HG LYS 37 9.956 -7.830 2.077
246 HG3 LYS 37 1HG LYS 37 9.531 -6.362 1.190
247 HD2 LYS 37 2HD LYS 37 10.435 -5.020 3.066
248 HD3 LYS 37 1HD LYS 37 10.943 -6.516 3.853
249 HE2 LYS 37 2HE LYS 37 12.453 -7.014 2.054
250 HE3 LYS 37 1HE LYS 37 11.849 -5.651 1.111
251 HZ1 LYS 37 3HZ LYS 37 12.687 -4.159 2.851
252 HZ2 LYS 37 1HZ LYS 37 13.928 -5.078 2.150
253 HZ3 LYS 37 2HZ LYS 37 13.333 -5.489 3.678
254 H GLN 38 H GLN 38 4.765 -7.530 1.529
255 HA GLN 38 HA GLN 38 2.714 -7.442 2.470
256 HB2 GLN 38 2HB GLN 38 3.781 -9.414 3.760
257 HB3 GLN 38 1HB GLN 38 3.932 -8.281 5.095
258 HG2 GLN 38 2HG GLN 38 1.553 -7.973 5.177
259 HG3 GLN 38 1HG GLN 38 1.337 -8.951 3.727
260 HE21 GLN 38 1HE2 GLN 38 -0.023 -10.380 4.786
261 HE22 GLN 38 2HE2 GLN 38 0.559 -11.528 5.935
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