Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
8809 | 1mvz RC | 5617 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H THR 1 1H THR 1 -5.423 25.000 2.230
2 2H THR 1 2H THR 1 -4.461 24.081 3.210
3 3H THR 1 3H THR 1 -4.152 25.692 3.014
4 HA THR 1 HA THR 1 -3.967 23.691 0.894
5 HB THR 1 HB THR 1 -2.853 25.542 -0.345
6 HG1 THR 1 HG1 THR 1 -2.436 26.862 1.491
7 1HG2 THR 1 1HG2 THR 1 -4.902 26.670 -1.027
8 2HG2 THR 1 2HG2 THR 1 -5.223 24.944 -0.781
9 3HG2 THR 1 3HG2 THR 1 -5.745 26.131 0.437
10 H LYS 2 H LYS 2 -2.306 22.331 1.347
11 HA LYS 2 HA LYS 2 0.328 23.417 1.736
12 1HB LYS 2 1HB LYS 2 -0.366 23.465 4.083
13 2HB LYS 2 2HB LYS 2 -0.940 21.798 3.992
14 1HG LYS 2 1HG LYS 2 1.224 22.007 5.148
15 2HG LYS 2 2HG LYS 2 1.346 20.969 3.723
16 1HD LYS 2 1HD LYS 2 2.374 22.806 2.436
17 2HD LYS 2 2HD LYS 2 2.146 23.916 3.808
18 1HE LYS 2 1HE LYS 2 3.677 22.509 5.169
19 2HE LYS 2 2HE LYS 2 3.866 21.390 3.804
20 1HZ LYS 2 1HZ LYS 2 5.667 22.921 3.903
21 2HZ LYS 2 2HZ LYS 2 4.787 23.211 2.540
22 3HZ LYS 2 3HZ LYS 2 4.653 24.220 3.836
23 H SER 3 H SER 3 -1.566 20.380 2.205
24 HA SER 3 HA SER 3 -0.327 19.066 -0.047
25 1HB SER 3 1HB SER 3 0.778 17.268 1.275
26 2HB SER 3 2HB SER 3 1.525 18.836 1.577
27 HG SER 3 HG SER 3 0.229 18.982 3.473
28 H THR 4 H THR 4 -0.947 16.474 0.411
29 HA THR 4 HA THR 4 -3.558 16.177 1.652
30 HB THR 4 HB THR 4 -4.087 17.291 -0.521
31 HG1 THR 4 HG1 THR 4 -5.556 15.860 0.384
32 1HG2 THR 4 1HG2 THR 4 -2.213 16.399 -1.890
33 2HG2 THR 4 2HG2 THR 4 -2.934 14.776 -1.814
34 3HG2 THR 4 3HG2 THR 4 -3.795 16.093 -2.627
35 H THR 5 H THR 5 -4.363 13.856 0.480
36 HA THR 5 HA THR 5 -2.502 11.946 1.658
37 HB THR 5 HB THR 5 -4.384 10.365 1.185
38 HG1 THR 5 HG1 THR 5 -5.187 11.539 -0.630
39 1HG2 THR 5 1HG2 THR 5 -4.285 11.577 3.337
40 2HG2 THR 5 2HG2 THR 5 -5.177 12.941 2.626
41 3HG2 THR 5 3HG2 THR 5 -5.961 11.360 2.796
42 H THR 6 H THR 6 -0.785 12.321 0.088
43 HA THR 6 HA THR 6 -1.014 11.457 -2.678
44 HB THR 6 HB THR 6 1.428 11.736 -2.630
45 HG1 THR 6 HG1 THR 6 1.070 12.384 0.107
46 1HG2 THR 6 1HG2 THR 6 -0.033 14.040 -1.278
47 2HG2 THR 6 2HG2 THR 6 1.497 14.125 -2.167
48 3HG2 THR 6 3HG2 THR 6 0.002 13.698 -3.021
49 H ALA 7 H ALA 7 0.858 9.877 -3.333
50 HA ALA 7 HA ALA 7 0.113 7.236 -2.593
51 1HB ALA 7 1HB ALA 7 2.599 8.239 -4.008
52 2HB ALA 7 2HB ALA 7 2.070 6.546 -3.888
53 3HB ALA 7 3HB ALA 7 1.064 7.729 -4.756
54 H CYS 8 H CYS 8 0.411 6.410 -0.656
55 HA CYS 8 HA CYS 8 2.847 7.008 0.995
56 1HB CYS 8 1HB CYS 8 1.391 7.000 2.870
57 2HB CYS 8 2HB CYS 8 0.674 8.062 1.693
58 H CYS 9 H CYS 9 2.480 5.363 2.927
59 HA CYS 9 HA CYS 9 1.572 2.728 2.351
60 1HB CYS 9 1HB CYS 9 3.858 2.884 1.083
61 2HB CYS 9 2HB CYS 9 4.586 2.913 2.677
62 H ASP 10 H ASP 10 2.497 1.289 4.360
63 HA ASP 10 HA ASP 10 3.125 3.008 6.708
64 1HB ASP 10 1HB ASP 10 0.742 2.637 6.930
65 2HB ASP 10 2HB ASP 10 0.921 0.922 6.537
66 HD2 ASP 10 HD2 ASP 10 0.720 0.435 9.949
67 H PHE 11 H PHE 11 2.444 -0.476 6.203
68 HA PHE 11 HA PHE 11 5.197 -1.166 7.029
69 1HB PHE 11 1HB PHE 11 2.985 -3.022 6.174
70 2HB PHE 11 2HB PHE 11 4.376 -3.380 7.189
71 HD1 PHE 11 HD1 PHE 11 0.941 -3.089 7.230
72 HD2 PHE 11 HD2 PHE 11 4.372 -1.647 9.411
73 HE1 PHE 11 HE1 PHE 11 -0.465 -2.790 9.226
74 HE2 PHE 11 HE2 PHE 11 2.959 -1.348 11.419
75 HZ PHE 11 HZ PHE 11 0.533 -1.917 11.342
76 H CYS 12 H CYS 12 6.688 -1.120 5.358
77 HA CYS 12 HA CYS 12 5.785 -1.886 2.634
78 1HB CYS 12 1HB CYS 12 7.355 -0.379 1.728
79 2HB CYS 12 2HB CYS 12 6.225 0.454 2.788
80 HA PRO 13 HA PRO 13 9.151 -4.849 3.793
81 1HB PRO 13 1HB PRO 13 7.889 -7.212 3.354
82 2HB PRO 13 2HB PRO 13 7.648 -6.276 4.858
83 1HG PRO 13 1HG PRO 13 5.884 -6.269 2.392
84 2HG PRO 13 2HG PRO 13 5.384 -6.512 4.093
85 1HD PRO 13 1HD PRO 13 5.236 -4.077 2.869
86 2HD PRO 13 2HD PRO 13 5.675 -4.233 4.599
87 H CYS 14 H CYS 14 10.316 -6.286 2.303
88 HA CYS 14 HA CYS 14 9.523 -6.171 -0.530
89 1HB CYS 14 1HB CYS 14 12.330 -5.549 0.469
90 2HB CYS 14 2HB CYS 14 11.718 -5.381 -1.168
91 H THR 15 H THR 15 10.689 -7.667 -1.885
92 HA THR 15 HA THR 15 11.418 -10.180 -0.574
93 HB THR 15 HB THR 15 11.713 -10.947 -2.895
94 HG1 THR 15 HG1 THR 15 12.435 -9.207 -3.965
95 1HG2 THR 15 1HG2 THR 15 9.118 -9.371 -2.574
96 2HG2 THR 15 2HG2 THR 15 9.407 -10.728 -3.677
97 3HG2 THR 15 3HG2 THR 15 9.438 -10.996 -1.923
98 H ARG 16 H ARG 16 13.537 -11.135 -0.939
99 HA ARG 16 HA ARG 16 15.759 -9.129 -1.135
100 1HB ARG 16 1HB ARG 16 15.635 -11.850 0.208
101 2HB ARG 16 2HB ARG 16 17.053 -10.785 0.112
102 1HG ARG 16 1HG ARG 16 15.830 -9.022 1.362
103 2HG ARG 16 2HG ARG 16 14.413 -10.081 1.473
104 1HD ARG 16 1HD ARG 16 15.613 -10.233 3.563
105 2HD ARG 16 2HD ARG 16 15.751 -11.764 2.703
106 HE ARG 16 HE ARG 16 18.015 -11.497 2.506
107 1HH1 ARG 16 1HH1 ARG 16 16.643 -8.345 3.413
108 2HH1 ARG 16 2HH1 ARG 16 18.195 -7.646 3.796
109 1HH2 ARG 16 1HH2 ARG 16 20.028 -10.570 3.024
110 2HH2 ARG 16 2HH2 ARG 16 20.129 -8.915 3.565
111 H SER 17 H SER 17 14.384 -10.152 -3.445
112 HA SER 17 HA SER 17 16.151 -12.089 -4.743
113 1HB SER 17 1HB SER 17 14.480 -11.496 -6.647
114 2HB SER 17 2HB SER 17 13.870 -12.353 -5.233
115 HG SER 17 HG SER 17 12.553 -10.575 -5.826
116 H ILE 18 H ILE 18 16.562 -11.354 -7.106
117 HA ILE 18 HA ILE 18 17.840 -8.668 -7.155
118 HB ILE 18 HB ILE 18 19.399 -10.423 -6.666
119 1HG1 ILE 18 1HG1 ILE 18 20.189 -8.406 -7.685
120 2HG1 ILE 18 2HG1 ILE 18 21.146 -9.805 -8.164
121 1HG2 ILE 18 1HG2 ILE 18 20.149 -12.101 -8.143
122 2HG2 ILE 18 2HG2 ILE 18 18.412 -12.318 -7.909
123 3HG2 ILE 18 3HG2 ILE 18 19.032 -11.632 -9.421
124 1HD1 ILE 18 1HD1 ILE 18 20.888 -8.374 -10.064
125 2HD1 ILE 18 2HD1 ILE 18 19.924 -9.824 -10.378
126 3HD1 ILE 18 3HD1 ILE 18 19.133 -8.303 -9.885
127 HA PRO 19 HA PRO 19 17.208 -6.840 -8.005
128 1HB PRO 19 1HB PRO 19 15.179 -5.262 -8.808
129 2HB PRO 19 2HB PRO 19 16.603 -5.579 -9.841
130 1HG PRO 19 1HG PRO 19 13.909 -6.969 -9.949
131 2HG PRO 19 2HG PRO 19 14.823 -6.242 -11.306
132 1HD PRO 19 1HD PRO 19 14.953 -8.910 -10.721
133 2HD PRO 19 2HD PRO 19 16.384 -8.024 -11.321
134 HA PRO 20 HA PRO 20 14.054 -7.741 -4.836
135 1HB PRO 20 1HB PRO 20 14.186 -5.571 -3.245
136 2HB PRO 20 2HB PRO 20 15.565 -6.702 -3.405
137 1HG PRO 20 1HG PRO 20 15.165 -4.085 -4.901
138 2HG PRO 20 2HG PRO 20 16.602 -4.592 -3.968
139 1HD PRO 20 1HD PRO 20 16.448 -4.944 -6.667
140 2HD PRO 20 2HD PRO 20 17.217 -6.179 -5.623
141 H GLN 21 H GLN 21 11.844 -7.423 -4.655
142 HA GLN 21 HA GLN 21 10.584 -5.040 -5.953
143 1HB GLN 21 1HB GLN 21 9.633 -7.906 -5.538
144 2HB GLN 21 2HB GLN 21 8.575 -6.557 -5.918
145 1HG GLN 21 1HG GLN 21 8.958 -6.875 -8.093
146 2HG GLN 21 2HG GLN 21 10.631 -6.364 -7.860
147 1HE2 GLN 21 1HE2 GLN 21 12.179 -8.141 -7.084
148 2HE2 GLN 21 2HE2 GLN 21 11.934 -9.735 -7.758
149 H CYS 22 H CYS 22 9.675 -3.688 -4.554
150 HA CYS 22 HA CYS 22 9.102 -4.535 -1.756
151 1HB CYS 22 1HB CYS 22 9.509 -1.809 -2.985
152 2HB CYS 22 2HB CYS 22 9.018 -2.100 -1.318
153 H GLN 23 H GLN 23 7.120 -4.023 -0.842
154 HA GLN 23 HA GLN 23 4.963 -3.040 -2.590
155 1HB GLN 23 1HB GLN 23 3.577 -4.963 -1.841
156 2HB GLN 23 2HB GLN 23 4.944 -5.490 -2.822
157 1HG GLN 23 1HG GLN 23 6.154 -6.240 -0.840
158 2HG GLN 23 2HG GLN 23 4.957 -5.502 0.236
159 1HE2 GLN 23 1HE2 GLN 23 4.633 -7.607 -2.700
160 2HE2 GLN 23 2HE2 GLN 23 3.700 -8.842 -1.886
161 H CYS 24 H CYS 24 2.883 -3.094 -1.131
162 HA CYS 24 HA CYS 24 3.524 -2.098 1.605
163 1HB CYS 24 1HB CYS 24 1.261 -1.380 -0.299
164 2HB CYS 24 2HB CYS 24 1.264 -0.975 1.425
165 H THR 25 H THR 25 2.505 -3.152 3.266
166 HA THR 25 HA THR 25 0.346 -5.126 2.580
167 HB THR 25 HB THR 25 1.010 -6.394 4.581
168 HG1 THR 25 HG1 THR 25 2.116 -4.858 5.727
169 1HG2 THR 25 1HG2 THR 25 1.814 -7.095 2.368
170 2HG2 THR 25 2HG2 THR 25 3.284 -6.114 2.589
171 3HG2 THR 25 3HG2 THR 25 2.960 -7.494 3.664
172 H ASP 26 H ASP 26 0.099 -2.274 2.978
173 HA ASP 26 HA ASP 26 -0.831 -1.934 5.702
174 1HB ASP 26 1HB ASP 26 0.248 -0.090 4.552
175 2HB ASP 26 2HB ASP 26 -1.030 -0.080 3.317
176 HD2 ASP 26 HD2 ASP 26 -2.186 0.966 7.094
177 H VAL 27 H VAL 27 -2.895 -1.439 6.269
178 HA VAL 27 HA VAL 27 -5.179 -2.139 4.532
179 HB VAL 27 HB VAL 27 -4.583 -3.506 7.200
180 1HG1 VAL 27 1HG1 VAL 27 -7.010 -3.487 5.366
181 2HG1 VAL 27 2HG1 VAL 27 -6.661 -4.881 6.396
182 3HG1 VAL 27 3HG1 VAL 27 -6.921 -3.281 7.112
183 1HG2 VAL 27 1HG2 VAL 27 -4.555 -5.611 5.809
184 2HG2 VAL 27 2HG2 VAL 27 -4.508 -4.588 4.359
185 3HG2 VAL 27 3HG2 VAL 27 -3.187 -4.539 5.531
186 H ARG 28 H ARG 28 -6.673 -0.568 4.844
187 HA ARG 28 HA ARG 28 -7.017 0.946 7.328
188 1HB ARG 28 1HB ARG 28 -4.906 1.642 5.444
189 2HB ARG 28 2HB ARG 28 -6.088 2.928 5.491
190 1HG ARG 28 1HG ARG 28 -5.924 3.048 7.944
191 2HG ARG 28 2HG ARG 28 -4.791 1.691 7.958
192 1HD ARG 28 1HD ARG 28 -3.642 3.812 8.223
193 2HD ARG 28 2HD ARG 28 -3.108 3.001 6.755
194 HE ARG 28 HE ARG 28 -4.659 5.493 7.063
195 1HH1 ARG 28 1HH1 ARG 28 -3.421 3.111 4.669
196 2HH1 ARG 28 2HH1 ARG 28 -3.683 4.207 3.341
197 1HH2 ARG 28 1HH2 ARG 28 -4.928 6.844 5.312
198 2HH2 ARG 28 2HH2 ARG 28 -4.612 6.283 3.684
199 H GLU 29 H GLU 29 -7.963 3.304 5.786
200 HA GLU 29 HA GLU 29 -10.449 2.351 4.656
201 1HB GLU 29 1HB GLU 29 -9.841 4.664 5.774
202 2HB GLU 29 2HB GLU 29 -9.259 5.096 4.169
203 1HG GLU 29 1HG GLU 29 -11.605 4.277 3.347
204 2HG GLU 29 2HG GLU 29 -12.052 4.227 5.050
205 HE2 GLU 29 HE2 GLU 29 -11.992 7.755 5.414
206 H LYS 30 H LYS 30 -9.924 4.389 2.257
207 HA LYS 30 HA LYS 30 -9.430 2.275 0.421
208 1HB LYS 30 1HB LYS 30 -9.396 5.237 -0.158
209 2HB LYS 30 2HB LYS 30 -9.583 3.896 -1.280
210 1HG LYS 30 1HG LYS 30 -11.683 3.207 0.030
211 2HG LYS 30 2HG LYS 30 -11.545 4.747 0.882
212 1HD LYS 30 1HD LYS 30 -13.157 4.918 -0.932
213 2HD LYS 30 2HD LYS 30 -11.792 6.011 -1.178
214 1HE LYS 30 1HE LYS 30 -12.558 4.894 -3.266
215 2HE LYS 30 2HE LYS 30 -10.864 4.569 -2.918
216 1HZ LYS 30 1HZ LYS 30 -13.102 2.753 -2.325
217 2HZ LYS 30 2HZ LYS 30 -12.056 2.613 -3.590
218 3HZ LYS 30 3HZ LYS 30 -11.507 2.441 -2.046
219 H CYS 31 H CYS 31 -7.865 2.234 -1.232
220 HA CYS 31 HA CYS 31 -5.172 2.288 -0.234
221 1HB CYS 31 1HB CYS 31 -4.688 1.386 -2.529
222 2HB CYS 31 2HB CYS 31 -5.778 0.464 -1.529
223 H HIS 32 H HIS 32 -3.376 3.193 -1.427
224 HA HIS 32 HA HIS 32 -3.866 6.014 -1.618
225 1HB HIS 32 1HB HIS 32 -1.532 6.326 -1.497
226 2HB HIS 32 2HB HIS 32 -2.065 5.150 -0.353
227 HD1 HIS 32 HD1 HIS 32 -0.004 5.346 -3.576
228 HD2 HIS 32 HD2 HIS 32 -0.909 2.745 -0.402
229 HE1 HIS 32 HE1 HIS 32 1.664 3.408 -3.683
230 HE2 HIS 32 HE2 HIS 32 1.095 1.780 -1.805
231 H SER 33 H SER 33 -2.308 7.244 -3.113
232 HA SER 33 HA SER 33 -3.568 7.077 -5.691
233 1HB SER 33 1HB SER 33 -3.164 9.170 -4.399
234 2HB SER 33 2HB SER 33 -1.434 8.975 -4.745
235 HG SER 33 HG SER 33 -2.054 8.977 -6.996
236 H ALA 34 H ALA 34 -1.414 4.930 -4.977
237 HA ALA 34 HA ALA 34 -0.397 4.829 -7.699
238 1HB ALA 34 1HB ALA 34 1.372 6.228 -6.687
239 2HB ALA 34 2HB ALA 34 1.636 4.987 -5.443
240 3HB ALA 34 3HB ALA 34 1.974 4.629 -7.146
241 H CYS 35 H CYS 35 -2.163 3.196 -7.062
242 HA CYS 35 HA CYS 35 -0.828 0.680 -6.225
243 1HB CYS 35 1HB CYS 35 -3.673 1.528 -5.649
244 2HB CYS 35 2HB CYS 35 -2.958 -0.048 -5.266
245 H LYS 36 H LYS 36 -0.788 -0.824 -7.692
246 HA LYS 36 HA LYS 36 -2.501 -0.691 -10.120
247 1HB LYS 36 1HB LYS 36 0.130 -2.073 -9.402
248 2HB LYS 36 2HB LYS 36 -0.775 -2.413 -10.867
249 1HG LYS 36 1HG LYS 36 0.352 0.326 -10.122
250 2HG LYS 36 2HG LYS 36 1.126 -0.851 -11.195
251 1HD LYS 36 1HD LYS 36 -0.893 -0.734 -12.714
252 2HD LYS 36 2HD LYS 36 -1.557 0.531 -11.666
253 1HE LYS 36 1HE LYS 36 -0.537 1.617 -13.520
254 2HE LYS 36 2HE LYS 36 0.455 1.938 -12.089
255 1HZ LYS 36 1HZ LYS 36 1.967 0.244 -12.846
256 2HZ LYS 36 2HZ LYS 36 1.011 -0.092 -14.147
257 3HZ LYS 36 3HZ LYS 36 1.750 1.374 -14.023
258 H SER 37 H SER 37 -1.410 -2.663 -7.409
259 HA SER 37 HA SER 37 -3.845 -4.375 -7.713
260 1HB SER 37 1HB SER 37 -1.677 -5.587 -7.538
261 2HB SER 37 2HB SER 37 -1.425 -4.834 -5.960
262 HG SER 37 HG SER 37 -3.561 -6.536 -6.740
263 H CYS 38 H CYS 38 -5.411 -3.481 -6.649
264 HA CYS 38 HA CYS 38 -5.076 -2.680 -3.830
265 1HB CYS 38 1HB CYS 38 -5.263 -0.574 -4.976
266 2HB CYS 38 2HB CYS 38 -6.635 -1.139 -5.932
267 H LEU 39 H LEU 39 -6.548 -3.680 -2.586
268 HA LEU 39 HA LEU 39 -9.060 -4.700 -3.631
269 1HB LEU 39 1HB LEU 39 -7.302 -6.381 -4.395
270 2HB LEU 39 2HB LEU 39 -6.938 -6.684 -2.698
271 HG LEU 39 HG LEU 39 -9.279 -7.530 -2.376
272 1HD1 LEU 39 1HD1 LEU 39 -10.592 -8.057 -4.482
273 2HD1 LEU 39 2HD1 LEU 39 -10.548 -6.339 -4.079
274 3HD1 LEU 39 3HD1 LEU 39 -9.502 -6.975 -5.369
275 1HD2 LEU 39 1HD2 LEU 39 -7.433 -9.059 -2.940
276 2HD2 LEU 39 2HD2 LEU 39 -8.971 -9.609 -3.627
277 3HD2 LEU 39 3HD2 LEU 39 -7.765 -8.826 -4.671
278 H CYS 40 H CYS 40 -10.378 -5.640 -1.883
279 HA CYS 40 HA CYS 40 -9.548 -4.657 0.809
280 1HB CYS 40 1HB CYS 40 -12.362 -4.656 -0.311
281 2HB CYS 40 2HB CYS 40 -11.779 -3.817 1.122
282 H THR 41 H THR 41 -10.842 -5.595 2.595
283 HA THR 41 HA THR 41 -11.293 -8.509 2.135
284 HB THR 41 HB THR 41 -9.890 -7.967 4.038
285 HG1 THR 41 HG1 THR 41 -11.089 -9.229 5.482
286 1HG2 THR 41 1HG2 THR 41 -10.880 -6.976 6.076
287 2HG2 THR 41 2HG2 THR 41 -10.788 -5.807 4.756
288 3HG2 THR 41 3HG2 THR 41 -12.348 -6.557 5.174
289 H ARG 42 H ARG 42 -13.244 -9.462 2.653
290 HA ARG 42 HA ARG 42 -15.636 -7.855 2.157
291 1HB ARG 42 1HB ARG 42 -16.724 -9.996 1.910
292 2HB ARG 42 2HB ARG 42 -15.202 -9.988 1.004
293 1HG ARG 42 1HG ARG 42 -14.131 -11.208 2.955
294 2HG ARG 42 2HG ARG 42 -15.729 -11.276 3.720
295 1HD ARG 42 1HD ARG 42 -15.248 -13.372 2.638
296 2HD ARG 42 2HD ARG 42 -16.587 -12.595 1.804
297 HE ARG 42 HE ARG 42 -13.747 -12.896 0.904
298 1HH1 ARG 42 1HH1 ARG 42 -17.066 -11.952 -0.008
299 2HH1 ARG 42 2HH1 ARG 42 -16.674 -11.829 -1.701
300 1HH2 ARG 42 1HH2 ARG 42 -13.276 -12.703 -1.297
301 2HH2 ARG 42 2HH2 ARG 42 -14.518 -12.252 -2.436
302 H SER 43 H SER 43 -13.894 -8.411 4.907
303 HA SER 43 HA SER 43 -15.782 -9.401 6.739
304 1HB SER 43 1HB SER 43 -13.302 -7.688 7.199
305 2HB SER 43 2HB SER 43 -14.088 -8.745 8.379
306 HG SER 43 HG SER 43 -12.872 -9.571 5.958
307 H PHE 44 H PHE 44 -16.007 -7.926 8.869
308 HA PHE 44 HA PHE 44 -17.228 -5.315 8.111
309 1HB PHE 44 1HB PHE 44 -18.893 -7.007 8.669
310 2HB PHE 44 2HB PHE 44 -18.128 -7.275 10.233
311 HD1 PHE 44 HD1 PHE 44 -18.532 -5.739 12.081
312 HD2 PHE 44 HD2 PHE 44 -19.936 -4.796 8.113
313 HE1 PHE 44 HE1 PHE 44 -19.870 -3.863 12.996
314 HE2 PHE 44 HE2 PHE 44 -21.263 -2.914 9.032
315 HZ PHE 44 HZ PHE 44 -21.222 -2.436 11.473
316 HA PRO 45 HA PRO 45 -16.718 -3.243 8.413
317 1HB PRO 45 1HB PRO 45 -14.705 -1.428 8.285
318 2HB PRO 45 2HB PRO 45 -15.895 -1.476 9.618
319 1HG PRO 45 1HG PRO 45 -13.112 -2.682 9.596
320 2HG PRO 45 2HG PRO 45 -13.837 -1.628 10.842
321 1HD PRO 45 1HD PRO 45 -13.817 -4.356 11.056
322 2HD PRO 45 2HD PRO 45 -15.203 -3.395 11.647
323 HA PRO 46 HA PRO 46 -14.159 -4.943 5.041
324 1HB PRO 46 1HB PRO 46 -15.144 -3.597 2.902
325 2HB PRO 46 2HB PRO 46 -16.089 -4.843 3.763
326 1HG PRO 46 1HG PRO 46 -16.272 -1.839 4.091
327 2HG PRO 46 2HG PRO 46 -17.603 -3.013 3.915
328 1HD PRO 46 1HD PRO 46 -16.736 -2.057 6.355
329 2HD PRO 46 2HD PRO 46 -17.415 -3.700 6.149
330 H GLN 47 H GLN 47 -12.048 -4.275 5.335
331 HA GLN 47 HA GLN 47 -11.349 -1.401 5.048
332 1HB GLN 47 1HB GLN 47 -9.964 -3.802 6.321
333 2HB GLN 47 2HB GLN 47 -9.197 -2.236 6.044
334 1HG GLN 47 1HG GLN 47 -11.052 -1.143 7.371
335 2HG GLN 47 2HG GLN 47 -11.673 -2.763 7.733
336 1HE2 GLN 47 1HE2 GLN 47 -8.487 -1.029 7.767
337 2HE2 GLN 47 2HE2 GLN 47 -8.016 -1.585 9.360
338 H CYS 48 H CYS 48 -9.879 -0.736 3.559
339 HA CYS 48 HA CYS 48 -9.390 -2.627 1.331
340 1HB CYS 48 1HB CYS 48 -9.930 0.310 1.467
341 2HB CYS 48 2HB CYS 48 -9.261 -0.453 0.029
342 H ARG 49 H ARG 49 -7.497 -2.508 0.178
343 HA ARG 49 HA ARG 49 -5.112 -1.914 1.856
344 1HB ARG 49 1HB ARG 49 -5.693 -4.602 0.620
345 2HB ARG 49 2HB ARG 49 -4.542 -4.188 1.884
346 1HG ARG 49 1HG ARG 49 -6.401 -3.785 3.398
347 2HG ARG 49 2HG ARG 49 -7.599 -4.182 2.167
348 1HD ARG 49 1HD ARG 49 -5.485 -6.211 2.891
349 2HD ARG 49 2HD ARG 49 -6.943 -5.990 3.861
350 HE ARG 49 HE ARG 49 -8.320 -6.755 2.192
351 1HH1 ARG 49 1HH1 ARG 49 -4.981 -6.721 0.949
352 2HH1 ARG 49 2HH1 ARG 49 -5.374 -7.717 -0.427
353 1HH2 ARG 49 1HH2 ARG 49 -8.806 -7.989 0.339
354 2HH2 ARG 49 2HH2 ARG 49 -7.530 -8.463 -0.748
355 H CYS 50 H CYS 50 -3.194 -1.730 0.669
356 HA CYS 50 HA CYS 50 -3.399 -1.810 -2.319
357 1HB CYS 50 1HB CYS 50 -3.002 0.444 -1.342
358 2HB CYS 50 2HB CYS 50 -1.561 -0.172 -0.545
359 H TYR 51 H TYR 51 -2.079 -3.216 -3.327
360 HA TYR 51 HA TYR 51 0.184 -4.510 -1.867
361 1HB TYR 51 1HB TYR 51 -1.921 -5.888 -1.989
362 2HB TYR 51 2HB TYR 51 -1.825 -5.820 -3.735
363 HD1 TYR 51 HD1 TYR 51 0.125 -6.862 -0.686
364 HD2 TYR 51 HD2 TYR 51 -0.631 -7.542 -4.880
365 HE1 TYR 51 HE1 TYR 51 1.492 -8.923 -0.603
366 HE2 TYR 51 HE2 TYR 51 0.700 -9.628 -4.778
367 HH TYR 51 HH TYR 51 2.306 -10.721 -1.765
368 H ASP 52 H ASP 52 0.303 -2.185 -3.555
369 HA ASP 52 HA ASP 52 0.936 -2.663 -6.227
370 1HB ASP 52 1HB ASP 52 2.060 -0.528 -6.184
371 2HB ASP 52 2HB ASP 52 0.632 -0.451 -5.150
372 HD2 ASP 52 HD2 ASP 52 4.335 -0.054 -3.554
373 H ILE 53 H ILE 53 2.975 -2.784 -7.347
374 HA ILE 53 HA ILE 53 5.248 -3.919 -5.772
375 HB ILE 53 HB ILE 53 4.606 -4.492 -8.682
376 1HG1 ILE 53 1HG1 ILE 53 2.926 -5.592 -7.249
377 2HG1 ILE 53 2HG1 ILE 53 3.992 -6.730 -8.067
378 1HG2 ILE 53 1HG2 ILE 53 7.003 -4.568 -8.209
379 2HG2 ILE 53 2HG2 ILE 53 6.730 -5.534 -6.758
380 3HG2 ILE 53 3HG2 ILE 53 6.415 -6.227 -8.360
381 1HD1 ILE 53 1HD1 ILE 53 3.515 -7.359 -5.716
382 2HD1 ILE 53 2HD1 ILE 53 5.247 -7.140 -6.013
383 3HD1 ILE 53 3HD1 ILE 53 4.323 -5.888 -5.154
384 H THR 54 H THR 54 6.639 -2.328 -5.506
385 HA THR 54 HA THR 54 7.510 -0.745 -7.859
386 HB THR 54 HB THR 54 7.909 1.169 -6.217
387 HG1 THR 54 HG1 THR 54 7.644 0.102 -4.260
388 1HG2 THR 54 1HG2 THR 54 5.611 1.987 -6.305
389 2HG2 THR 54 2HG2 THR 54 6.060 1.207 -7.836
390 3HG2 THR 54 3HG2 THR 54 5.011 0.358 -6.676
391 H ASP 55 H ASP 55 9.782 0.031 -7.529
392 HA ASP 55 HA ASP 55 11.435 -2.068 -6.402
393 1HB ASP 55 1HB ASP 55 12.083 -0.804 -8.390
394 2HB ASP 55 2HB ASP 55 12.097 0.702 -7.468
395 HD2 ASP 55 HD2 ASP 55 15.017 -2.047 -6.705
396 H PHE 56 H PHE 56 9.937 0.774 -5.122
397 HA PHE 56 HA PHE 56 11.783 0.902 -2.770
398 1HB PHE 56 1HB PHE 56 11.424 3.398 -2.975
399 2HB PHE 56 2HB PHE 56 12.330 2.650 -4.262
400 HD1 PHE 56 HD1 PHE 56 8.936 3.958 -3.348
401 HD2 PHE 56 HD2 PHE 56 11.604 2.844 -6.551
402 HE1 PHE 56 HE1 PHE 56 7.333 4.842 -5.002
403 HE2 PHE 56 HE2 PHE 56 9.955 3.673 -8.206
404 HZ PHE 56 HZ PHE 56 7.802 4.651 -7.435
405 H CYS 57 H CYS 57 10.780 2.555 -1.207
406 HA CYS 57 HA CYS 57 7.987 1.756 -0.485
407 1HB CYS 57 1HB CYS 57 9.629 0.901 1.055
408 2HB CYS 57 2HB CYS 57 10.405 2.486 1.188
409 H TYR 58 H TYR 58 6.617 3.368 0.277
410 HA TYR 58 HA TYR 58 7.207 6.169 -0.497
411 1HB TYR 58 1HB TYR 58 4.687 4.629 0.178
412 2HB TYR 58 2HB TYR 58 4.705 6.335 -0.159
413 HD1 TYR 58 HD1 TYR 58 5.345 7.182 -2.448
414 HD2 TYR 58 HD2 TYR 58 4.623 3.012 -1.609
415 HE1 TYR 58 HE1 TYR 58 4.998 6.757 -4.861
416 HE2 TYR 58 HE2 TYR 58 4.317 2.582 -4.032
417 HH TYR 58 HH TYR 58 4.646 5.176 -6.486
418 HA PRO 59 HA PRO 59 7.319 7.364 3.825
419 1HB PRO 59 1HB PRO 59 5.973 9.772 3.882
420 2HB PRO 59 2HB PRO 59 7.596 9.551 3.167
421 1HG PRO 59 1HG PRO 59 4.930 9.476 1.719
422 2HG PRO 59 2HG PRO 59 6.370 10.458 1.306
423 1HD PRO 59 1HD PRO 59 5.942 8.135 0.052
424 2HD PRO 59 2HD PRO 59 7.589 8.509 0.626
425 H SER 60 H SER 60 5.939 7.836 5.764
426 HA SER 60 HA SER 60 3.965 5.899 5.958
427 1HB SER 60 1HB SER 60 3.590 7.270 8.216
428 2HB SER 60 2HB SER 60 4.959 6.200 7.924
429 HG SER 60 HG SER 60 5.621 8.249 8.717
430 H CYS 61 H CYS 61 1.832 5.931 6.116
431 HA CYS 61 HA CYS 61 0.388 8.200 4.928
432 1HB CYS 61 1HB CYS 61 0.197 5.520 4.525
433 2HB CYS 61 2HB CYS 61 -1.086 5.713 5.701
434 H SER 62 H SER 62 -2.029 8.250 5.786
435 HA SER 62 HA SER 62 -2.386 7.757 8.630
436 1HB SER 62 1HB SER 62 -1.573 10.114 8.601
437 2HB SER 62 2HB SER 62 -2.843 10.533 7.431
438 HG SER 62 HG SER 62 -3.347 10.986 9.655
Start of MODEL 2
1 1H THR 1 1H THR 1 -9.520 12.685 10.490
2 2H THR 1 2H THR 1 -10.828 13.577 10.007
3 3H THR 1 3H THR 1 -10.566 12.081 9.363
4 HA THR 1 HA THR 1 -8.800 14.375 9.002
5 HB THR 1 HB THR 1 -7.781 12.937 7.239
6 HG1 THR 1 HG1 THR 1 -8.256 10.718 7.333
7 1HG2 THR 1 1HG2 THR 1 -6.446 11.549 8.729
8 2HG2 THR 1 2HG2 THR 1 -6.730 13.130 9.481
9 3HG2 THR 1 3HG2 THR 1 -7.646 11.704 10.025
10 H LYS 2 H LYS 2 -8.769 15.218 6.806
11 HA LYS 2 HA LYS 2 -11.405 15.277 5.487
12 1HB LYS 2 1HB LYS 2 -8.747 16.617 4.826
13 2HB LYS 2 2HB LYS 2 -10.271 16.864 3.954
14 1HG LYS 2 1HG LYS 2 -11.340 17.626 6.084
15 2HG LYS 2 2HG LYS 2 -9.755 17.512 6.882
16 1HD LYS 2 1HD LYS 2 -8.844 19.087 5.120
17 2HD LYS 2 2HD LYS 2 -10.502 19.333 4.548
18 1HE LYS 2 1HE LYS 2 -9.480 19.877 7.379
19 2HE LYS 2 2HE LYS 2 -9.729 21.109 6.133
20 1HZ LYS 2 1HZ LYS 2 -11.847 19.399 7.236
21 2HZ LYS 2 2HZ LYS 2 -11.557 20.959 7.674
22 3HZ LYS 2 3HZ LYS 2 -12.042 20.613 6.137
23 H SER 3 H SER 3 -11.373 14.988 3.057
24 HA SER 3 HA SER 3 -10.628 12.306 2.444
25 1HB SER 3 1HB SER 3 -12.595 13.476 1.500
26 2HB SER 3 2HB SER 3 -11.513 14.551 0.586
27 HG SER 3 HG SER 3 -12.186 12.783 -0.670
28 H THR 4 H THR 4 -8.557 11.679 2.153
29 HA THR 4 HA THR 4 -6.962 12.892 0.059
30 HB THR 4 HB THR 4 -6.358 14.279 2.033
31 HG1 THR 4 HG1 THR 4 -4.265 12.546 1.265
32 1HG2 THR 4 1HG2 THR 4 -5.211 11.724 3.247
33 2HG2 THR 4 2HG2 THR 4 -5.107 13.367 3.897
34 3HG2 THR 4 3HG2 THR 4 -6.675 12.545 3.827
35 H THR 5 H THR 5 -5.428 11.441 -0.760
36 HA THR 5 HA THR 5 -4.956 8.875 0.525
37 HB THR 5 HB THR 5 -7.221 8.592 -0.445
38 HG1 THR 5 HG1 THR 5 -6.575 6.673 -1.656
39 1HG2 THR 5 1HG2 THR 5 -6.954 10.071 -2.464
40 2HG2 THR 5 2HG2 THR 5 -5.945 8.812 -3.206
41 3HG2 THR 5 3HG2 THR 5 -7.627 8.467 -2.796
42 H THR 6 H THR 6 -3.198 10.881 0.018
43 HA THR 6 HA THR 6 -1.853 10.794 -2.485
44 HB THR 6 HB THR 6 0.003 11.799 -1.150
45 HG1 THR 6 HG1 THR 6 -0.568 10.677 0.822
46 1HG2 THR 6 1HG2 THR 6 -2.741 13.034 -0.646
47 2HG2 THR 6 2HG2 THR 6 -1.179 13.875 -0.636
48 3HG2 THR 6 3HG2 THR 6 -1.802 13.182 -2.147
49 H ALA 7 H ALA 7 0.355 9.930 -2.865
50 HA ALA 7 HA ALA 7 0.292 7.124 -2.512
51 1HB ALA 7 1HB ALA 7 2.597 8.773 -3.534
52 2HB ALA 7 2HB ALA 7 2.320 7.026 -3.734
53 3HB ALA 7 3HB ALA 7 1.208 8.186 -4.489
54 H CYS 8 H CYS 8 0.334 6.443 -0.470
55 HA CYS 8 HA CYS 8 2.773 6.909 1.201
56 1HB CYS 8 1HB CYS 8 1.398 6.973 3.115
57 2HB CYS 8 2HB CYS 8 0.696 8.100 1.987
58 H CYS 9 H CYS 9 2.507 5.282 3.054
59 HA CYS 9 HA CYS 9 1.308 2.753 2.728
60 1HB CYS 9 1HB CYS 9 3.103 2.477 0.999
61 2HB CYS 9 2HB CYS 9 4.319 2.784 2.230
62 H ASP 10 H ASP 10 1.895 1.377 4.648
63 HA ASP 10 HA ASP 10 3.239 2.893 6.865
64 1HB ASP 10 1HB ASP 10 0.911 2.484 7.396
65 2HB ASP 10 2HB ASP 10 1.052 0.783 6.938
66 HD2 ASP 10 HD2 ASP 10 1.293 0.345 10.379
67 H PHE 11 H PHE 11 2.448 -0.558 6.284
68 HA PHE 11 HA PHE 11 5.213 -1.334 6.926
69 1HB PHE 11 1HB PHE 11 2.805 -3.009 6.201
70 2HB PHE 11 2HB PHE 11 4.295 -3.577 6.949
71 HD1 PHE 11 HD1 PHE 11 0.987 -3.137 7.655
72 HD2 PHE 11 HD2 PHE 11 4.823 -1.908 9.207
73 HE1 PHE 11 HE1 PHE 11 -0.002 -2.892 9.899
74 HE2 PHE 11 HE2 PHE 11 3.826 -1.648 11.450
75 HZ PHE 11 HZ PHE 11 1.412 -2.137 11.814
76 H CYS 12 H CYS 12 6.604 -1.214 5.250
77 HA CYS 12 HA CYS 12 5.715 -1.945 2.499
78 1HB CYS 12 1HB CYS 12 7.402 -0.407 1.703
79 2HB CYS 12 2HB CYS 12 6.170 0.388 2.670
80 HA PRO 13 HA PRO 13 9.095 -4.897 3.875
81 1HB PRO 13 1HB PRO 13 7.872 -7.282 3.336
82 2HB PRO 13 2HB PRO 13 7.611 -6.384 4.859
83 1HG PRO 13 1HG PRO 13 5.862 -6.341 2.384
84 2HG PRO 13 2HG PRO 13 5.363 -6.604 4.083
85 1HD PRO 13 1HD PRO 13 5.193 -4.169 2.897
86 2HD PRO 13 2HD PRO 13 5.669 -4.331 4.616
87 H CYS 14 H CYS 14 10.575 -5.822 2.426
88 HA CYS 14 HA CYS 14 9.830 -5.992 -0.438
89 1HB CYS 14 1HB CYS 14 12.374 -4.785 0.709
90 2HB CYS 14 2HB CYS 14 11.976 -4.934 -0.995
91 H THR 15 H THR 15 11.292 -7.226 -1.734
92 HA THR 15 HA THR 15 12.237 -9.641 -0.334
93 HB THR 15 HB THR 15 12.301 -10.577 -2.569
94 HG1 THR 15 HG1 THR 15 11.675 -7.940 -3.410
95 1HG2 THR 15 1HG2 THR 15 10.055 -10.434 -1.471
96 2HG2 THR 15 2HG2 THR 15 9.748 -8.911 -2.328
97 3HG2 THR 15 3HG2 THR 15 9.961 -10.413 -3.237
98 H ARG 16 H ARG 16 14.346 -10.482 -0.857
99 HA ARG 16 HA ARG 16 16.412 -8.407 -1.506
100 1HB ARG 16 1HB ARG 16 16.575 -10.967 0.109
101 2HB ARG 16 2HB ARG 16 17.920 -9.858 -0.237
102 1HG ARG 16 1HG ARG 16 16.786 -8.037 0.955
103 2HG ARG 16 2HG ARG 16 15.402 -9.076 1.319
104 1HD ARG 16 1HD ARG 16 18.252 -9.593 2.283
105 2HD ARG 16 2HD ARG 16 16.983 -8.802 3.208
106 HE ARG 16 HE ARG 16 15.775 -10.756 3.458
107 1HH1 ARG 16 1HH1 ARG 16 18.720 -11.418 1.569
108 2HH1 ARG 16 2HH1 ARG 16 18.630 -13.140 1.824
109 1HH2 ARG 16 1HH2 ARG 16 15.660 -13.006 3.734
110 2HH2 ARG 16 2HH2 ARG 16 16.878 -14.045 3.042
111 H SER 17 H SER 17 14.814 -9.769 -3.518
112 HA SER 17 HA SER 17 16.612 -11.719 -4.773
113 1HB SER 17 1HB SER 17 14.780 -11.793 -6.441
114 2HB SER 17 2HB SER 17 14.226 -12.149 -4.820
115 HG SER 17 HG SER 17 13.358 -10.057 -4.719
116 H ILE 18 H ILE 18 16.529 -11.227 -7.291
117 HA ILE 18 HA ILE 18 17.551 -8.473 -7.793
118 HB ILE 18 HB ILE 18 18.761 -11.094 -8.588
119 1HG1 ILE 18 1HG1 ILE 18 19.382 -10.264 -6.325
120 2HG1 ILE 18 2HG1 ILE 18 20.735 -10.369 -7.447
121 1HG2 ILE 18 1HG2 ILE 18 19.324 -8.327 -9.686
122 2HG2 ILE 18 2HG2 ILE 18 20.496 -9.662 -9.775
123 3HG2 ILE 18 3HG2 ILE 18 18.933 -9.810 -10.575
124 1HD1 ILE 18 1HD1 ILE 18 19.299 -7.803 -6.624
125 2HD1 ILE 18 2HD1 ILE 18 20.916 -8.339 -6.150
126 3HD1 ILE 18 3HD1 ILE 18 20.601 -7.897 -7.831
127 HA PRO 19 HA PRO 19 16.821 -6.837 -8.820
128 1HB PRO 19 1HB PRO 19 14.625 -5.426 -9.610
129 2HB PRO 19 2HB PRO 19 16.003 -5.762 -10.696
130 1HG PRO 19 1HG PRO 19 13.397 -7.297 -10.496
131 2HG PRO 19 2HG PRO 19 14.191 -6.679 -11.974
132 1HD PRO 19 1HD PRO 19 14.484 -9.262 -11.129
133 2HD PRO 19 2HD PRO 19 15.843 -8.386 -11.889
134 HA PRO 20 HA PRO 20 14.087 -7.710 -5.279
135 1HB PRO 20 1HB PRO 20 14.395 -5.511 -3.748
136 2HB PRO 20 2HB PRO 20 15.737 -6.656 -4.037
137 1HG PRO 20 1HG PRO 20 15.206 -4.037 -5.452
138 2HG PRO 20 2HG PRO 20 16.748 -4.612 -4.761
139 1HD PRO 20 1HD PRO 20 16.127 -4.879 -7.428
140 2HD PRO 20 2HD PRO 20 17.107 -6.096 -6.555
141 H GLN 21 H GLN 21 11.894 -7.596 -5.151
142 HA GLN 21 HA GLN 21 10.457 -5.213 -6.204
143 1HB GLN 21 1HB GLN 21 8.524 -6.673 -6.161
144 2HB GLN 21 2HB GLN 21 9.717 -7.082 -7.379
145 1HG GLN 21 1HG GLN 21 9.276 -8.570 -4.748
146 2HG GLN 21 2HG GLN 21 8.525 -8.980 -6.287
147 1HE2 GLN 21 1HE2 GLN 21 11.298 -8.185 -7.631
148 2HE2 GLN 21 2HE2 GLN 21 12.219 -9.645 -7.402
149 H CYS 22 H CYS 22 9.224 -4.061 -4.866
150 HA CYS 22 HA CYS 22 9.150 -4.727 -1.964
151 1HB CYS 22 1HB CYS 22 9.132 -2.107 -3.439
152 2HB CYS 22 2HB CYS 22 8.609 -2.248 -1.766
153 H GLN 23 H GLN 23 7.242 -4.418 -0.883
154 HA GLN 23 HA GLN 23 4.725 -4.163 -2.446
155 1HB GLN 23 1HB GLN 23 5.427 -6.422 -0.505
156 2HB GLN 23 2HB GLN 23 3.819 -6.099 -1.184
157 1HG GLN 23 1HG GLN 23 4.780 -6.367 -3.482
158 2HG GLN 23 2HG GLN 23 6.317 -6.871 -2.758
159 1HE2 GLN 23 1HE2 GLN 23 5.663 -8.763 -4.284
160 2HE2 GLN 23 2HE2 GLN 23 4.764 -10.060 -3.527
161 H CYS 24 H CYS 24 2.862 -4.039 -0.818
162 HA CYS 24 HA CYS 24 3.662 -2.799 1.745
163 1HB CYS 24 1HB CYS 24 1.775 -1.699 -0.326
164 2HB CYS 24 2HB CYS 24 1.532 -1.352 1.390
165 H THR 25 H THR 25 2.634 -3.605 3.444
166 HA THR 25 HA THR 25 0.258 -5.385 3.022
167 HB THR 25 HB THR 25 1.028 -6.612 5.007
168 HG1 THR 25 HG1 THR 25 2.241 -5.056 6.029
169 1HG2 THR 25 1HG2 THR 25 3.231 -6.426 2.909
170 2HG2 THR 25 2HG2 THR 25 2.860 -7.801 3.971
171 3HG2 THR 25 3HG2 THR 25 1.710 -7.321 2.704
172 H ASP 26 H ASP 26 0.521 -2.403 3.453
173 HA ASP 26 HA ASP 26 -0.568 -1.896 6.063
174 1HB ASP 26 1HB ASP 26 0.603 -0.180 4.828
175 2HB ASP 26 2HB ASP 26 -0.570 -0.272 3.501
176 HD2 ASP 26 HD2 ASP 26 -2.176 1.166 6.932
177 H VAL 27 H VAL 27 -2.648 -1.291 6.487
178 HA VAL 27 HA VAL 27 -4.866 -2.150 4.722
179 HB VAL 27 HB VAL 27 -4.471 -3.103 7.598
180 1HG1 VAL 27 1HG1 VAL 27 -6.781 -3.447 5.633
181 2HG1 VAL 27 2HG1 VAL 27 -6.557 -4.455 7.068
182 3HG1 VAL 27 3HG1 VAL 27 -6.812 -2.706 7.228
183 1HG2 VAL 27 1HG2 VAL 27 -3.057 -4.448 6.208
184 2HG2 VAL 27 2HG2 VAL 27 -4.521 -5.396 6.485
185 3HG2 VAL 27 3HG2 VAL 27 -4.286 -4.564 4.937
186 H ARG 28 H ARG 28 -6.403 -0.578 4.735
187 HA ARG 28 HA ARG 28 -6.744 1.372 6.864
188 1HB ARG 28 1HB ARG 28 -4.495 1.657 5.159
189 2HB ARG 28 2HB ARG 28 -5.642 2.777 4.490
190 1HG ARG 28 1HG ARG 28 -4.858 2.619 7.452
191 2HG ARG 28 2HG ARG 28 -4.030 3.633 6.271
192 1HD ARG 28 1HD ARG 28 -6.971 3.898 7.000
193 2HD ARG 28 2HD ARG 28 -5.647 4.901 7.618
194 HE ARG 28 HE ARG 28 -5.455 4.989 4.823
195 1HH1 ARG 28 1HH1 ARG 28 -7.691 6.076 7.352
196 2HH1 ARG 28 2HH1 ARG 28 -8.328 7.392 6.398
197 1HH2 ARG 28 1HH2 ARG 28 -6.256 6.735 3.603
198 2HH2 ARG 28 2HH2 ARG 28 -7.483 7.789 4.262
199 H GLU 29 H GLU 29 -7.569 3.454 5.004
200 HA GLU 29 HA GLU 29 -10.170 2.439 4.214
201 1HB GLU 29 1HB GLU 29 -9.498 4.689 5.332
202 2HB GLU 29 2HB GLU 29 -9.027 5.207 3.710
203 1HG GLU 29 1HG GLU 29 -11.411 4.677 2.990
204 2HG GLU 29 2HG GLU 29 -11.764 4.243 4.666
205 HE2 GLU 29 HE2 GLU 29 -12.896 7.643 4.397
206 H LYS 30 H LYS 30 -9.822 4.592 1.830
207 HA LYS 30 HA LYS 30 -9.621 2.597 -0.170
208 1HB LYS 30 1HB LYS 30 -9.340 5.604 -0.451
209 2HB LYS 30 2HB LYS 30 -9.692 4.473 -1.743
210 1HG LYS 30 1HG LYS 30 -11.550 5.105 0.587
211 2HG LYS 30 2HG LYS 30 -11.694 5.650 -1.088
212 1HD LYS 30 1HD LYS 30 -11.810 3.180 -1.776
213 2HD LYS 30 2HD LYS 30 -11.915 2.796 -0.049
214 1HE LYS 30 1HE LYS 30 -14.141 2.804 -0.852
215 2HE LYS 30 2HE LYS 30 -13.963 4.297 0.083
216 1HZ LYS 30 1HZ LYS 30 -13.826 4.040 -2.849
217 2HZ LYS 30 2HZ LYS 30 -15.097 4.635 -1.990
218 3HZ LYS 30 3HZ LYS 30 -13.669 5.455 -2.016
219 H CYS 31 H CYS 31 -8.168 2.692 -2.034
220 HA CYS 31 HA CYS 31 -5.479 2.203 -1.139
221 1HB CYS 31 1HB CYS 31 -6.243 2.232 -4.030
222 2HB CYS 31 2HB CYS 31 -5.182 1.144 -3.161
223 H HIS 32 H HIS 32 -3.532 3.289 -2.077
224 HA HIS 32 HA HIS 32 -4.039 6.107 -2.189
225 1HB HIS 32 1HB HIS 32 -1.711 6.458 -2.198
226 2HB HIS 32 2HB HIS 32 -2.230 5.443 -0.902
227 HD1 HIS 32 HD1 HIS 32 -0.003 5.514 -3.953
228 HD2 HIS 32 HD2 HIS 32 -1.195 2.849 -0.936
229 HE1 HIS 32 HE1 HIS 32 1.611 3.553 -4.020
230 HE2 HIS 32 HE2 HIS 32 0.926 1.921 -2.160
231 H SER 33 H SER 33 -2.914 7.536 -3.581
232 HA SER 33 HA SER 33 -3.948 7.646 -6.123
233 1HB SER 33 1HB SER 33 -2.972 9.538 -4.852
234 2HB SER 33 2HB SER 33 -1.358 8.889 -5.195
235 HG SER 33 HG SER 33 -1.886 9.123 -7.447
236 H ALA 34 H ALA 34 -0.839 6.328 -5.148
237 HA ALA 34 HA ALA 34 -0.231 5.469 -7.948
238 1HB ALA 34 1HB ALA 34 2.083 5.450 -7.291
239 2HB ALA 34 2HB ALA 34 1.392 6.983 -6.722
240 3HB ALA 34 3HB ALA 34 1.663 5.649 -5.577
241 H CYS 35 H CYS 35 -2.136 4.035 -6.240
242 HA CYS 35 HA CYS 35 -0.682 1.497 -5.727
243 1HB CYS 35 1HB CYS 35 -2.182 2.437 -3.938
244 2HB CYS 35 2HB CYS 35 -3.550 2.162 -5.023
245 H LYS 36 H LYS 36 -0.831 -0.110 -7.230
246 HA LYS 36 HA LYS 36 -2.702 0.249 -9.513
247 1HB LYS 36 1HB LYS 36 -0.127 0.182 -9.735
248 2HB LYS 36 2HB LYS 36 -0.276 -1.559 -9.461
249 1HG LYS 36 1HG LYS 36 -1.901 -1.708 -11.349
250 2HG LYS 36 2HG LYS 36 -1.705 0.036 -11.631
251 1HD LYS 36 1HD LYS 36 0.781 -0.387 -11.944
252 2HD LYS 36 2HD LYS 36 0.432 -2.124 -11.919
253 1HE LYS 36 1HE LYS 36 -0.720 -0.065 -13.872
254 2HE LYS 36 2HE LYS 36 0.584 -1.208 -14.230
255 1HZ LYS 36 1HZ LYS 36 -0.940 -2.996 -13.901
256 2HZ LYS 36 2HZ LYS 36 -2.163 -1.960 -13.512
257 3HZ LYS 36 3HZ LYS 36 -1.533 -1.957 -15.033
258 H SER 37 H SER 37 -1.361 -2.173 -7.323
259 HA SER 37 HA SER 37 -3.705 -3.988 -7.834
260 1HB SER 37 1HB SER 37 -1.552 -5.108 -8.149
261 2HB SER 37 2HB SER 37 -1.018 -4.583 -6.546
262 HG SER 37 HG SER 37 -1.834 -6.686 -6.497
263 H CYS 38 H CYS 38 -5.214 -3.998 -6.297
264 HA CYS 38 HA CYS 38 -4.594 -3.421 -3.487
265 1HB CYS 38 1HB CYS 38 -5.153 -1.212 -4.617
266 2HB CYS 38 2HB CYS 38 -6.732 -1.882 -5.015
267 H LEU 39 H LEU 39 -6.026 -4.464 -2.126
268 HA LEU 39 HA LEU 39 -8.458 -5.690 -3.209
269 1HB LEU 39 1HB LEU 39 -6.612 -7.318 -3.711
270 2HB LEU 39 2HB LEU 39 -6.203 -7.346 -1.996
271 HG LEU 39 HG LEU 39 -8.460 -8.308 -1.498
272 1HD1 LEU 39 1HD1 LEU 39 -9.795 -7.462 -3.396
273 2HD1 LEU 39 2HD1 LEU 39 -8.780 -8.375 -4.533
274 3HD1 LEU 39 3HD1 LEU 39 -9.815 -9.224 -3.368
275 1HD2 LEU 39 1HD2 LEU 39 -8.006 -10.528 -2.376
276 2HD2 LEU 39 2HD2 LEU 39 -6.930 -9.858 -3.623
277 3HD2 LEU 39 3HD2 LEU 39 -6.473 -9.773 -1.920
278 H CYS 40 H CYS 40 -9.875 -6.402 -1.526
279 HA CYS 40 HA CYS 40 -9.287 -5.191 1.132
280 1HB CYS 40 1HB CYS 40 -11.973 -5.133 -0.272
281 2HB CYS 40 2HB CYS 40 -11.476 -4.208 1.142
282 H THR 41 H THR 41 -10.818 -5.854 2.826
283 HA THR 41 HA THR 41 -11.259 -8.776 2.786
284 HB THR 41 HB THR 41 -12.043 -8.336 5.112
285 HG1 THR 41 HG1 THR 41 -12.558 -6.067 4.597
286 1HG2 THR 41 1HG2 THR 41 -9.730 -8.991 4.677
287 2HG2 THR 41 2HG2 THR 41 -9.261 -7.284 4.475
288 3HG2 THR 41 3HG2 THR 41 -9.840 -7.876 6.052
289 H ARG 42 H ARG 42 -13.318 -9.694 3.145
290 HA ARG 42 HA ARG 42 -15.622 -8.149 2.145
291 1HB ARG 42 1HB ARG 42 -16.738 -10.253 2.018
292 2HB ARG 42 2HB ARG 42 -15.173 -10.350 1.203
293 1HG ARG 42 1HG ARG 42 -14.236 -11.537 3.169
294 2HG ARG 42 2HG ARG 42 -15.817 -11.422 3.978
295 1HD ARG 42 1HD ARG 42 -16.845 -12.706 2.114
296 2HD ARG 42 2HD ARG 42 -15.245 -12.856 1.352
297 HE ARG 42 HE ARG 42 -15.122 -13.799 4.043
298 1HH1 ARG 42 1HH1 ARG 42 -16.488 -14.729 0.900
299 2HH1 ARG 42 2HH1 ARG 42 -16.452 -16.438 1.246
300 1HH2 ARG 42 1HH2 ARG 42 -15.085 -16.046 4.488
301 2HH2 ARG 42 2HH2 ARG 42 -15.653 -17.190 3.301
302 H SER 43 H SER 43 -14.235 -7.919 5.008
303 HA SER 43 HA SER 43 -16.284 -8.744 6.818
304 1HB SER 43 1HB SER 43 -14.843 -7.567 8.461
305 2HB SER 43 2HB SER 43 -13.963 -8.712 7.485
306 HG SER 43 HG SER 43 -13.074 -7.003 6.342
307 H PHE 44 H PHE 44 -16.700 -6.881 8.520
308 HA PHE 44 HA PHE 44 -17.669 -4.408 7.209
309 1HB PHE 44 1HB PHE 44 -19.548 -5.941 7.371
310 2HB PHE 44 2HB PHE 44 -19.308 -6.090 9.109
311 HD1 PHE 44 HD1 PHE 44 -20.096 -3.659 6.366
312 HD2 PHE 44 HD2 PHE 44 -20.180 -4.411 10.615
313 HE1 PHE 44 HE1 PHE 44 -21.390 -1.571 6.716
314 HE2 PHE 44 HE2 PHE 44 -21.477 -2.327 10.953
315 HZ PHE 44 HZ PHE 44 -22.059 -0.890 9.011
316 HA PRO 45 HA PRO 45 -17.291 -2.299 7.531
317 1HB PRO 45 1HB PRO 45 -15.231 -0.548 7.813
318 2HB PRO 45 2HB PRO 45 -16.732 -0.463 8.781
319 1HG PRO 45 1HG PRO 45 -14.111 -1.757 9.590
320 2HG PRO 45 2HG PRO 45 -15.073 -0.562 10.511
321 1HD PRO 45 1HD PRO 45 -15.317 -3.232 10.977
322 2HD PRO 45 2HD PRO 45 -16.755 -2.175 11.005
323 HA PRO 46 HA PRO 46 -14.223 -4.634 5.115
324 1HB PRO 46 1HB PRO 46 -14.529 -3.533 2.653
325 2HB PRO 46 2HB PRO 46 -15.793 -4.547 3.407
326 1HG PRO 46 1HG PRO 46 -15.652 -1.517 3.379
327 2HG PRO 46 2HG PRO 46 -17.038 -2.554 2.938
328 1HD PRO 46 1HD PRO 46 -16.795 -1.451 5.420
329 2HD PRO 46 2HD PRO 46 -17.463 -3.097 5.199
330 H GLN 47 H GLN 47 -12.059 -4.324 5.239
331 HA GLN 47 HA GLN 47 -10.943 -1.565 5.161
332 1HB GLN 47 1HB GLN 47 -9.953 -4.212 6.314
333 2HB GLN 47 2HB GLN 47 -9.036 -2.708 6.290
334 1HG GLN 47 1HG GLN 47 -11.696 -3.150 7.716
335 2HG GLN 47 2HG GLN 47 -10.108 -3.108 8.487
336 1HE2 GLN 47 1HE2 GLN 47 -8.771 -0.995 7.749
337 2HE2 GLN 47 2HE2 GLN 47 -9.674 0.492 7.945
338 H CYS 48 H CYS 48 -9.629 -1.033 3.499
339 HA CYS 48 HA CYS 48 -9.050 -3.114 1.462
340 1HB CYS 48 1HB CYS 48 -9.492 -0.148 1.312
341 2HB CYS 48 2HB CYS 48 -8.775 -1.065 -0.001
342 H ARG 49 H ARG 49 -7.079 -3.152 0.469
343 HA ARG 49 HA ARG 49 -4.801 -2.245 2.161
344 1HB ARG 49 1HB ARG 49 -5.059 -5.040 1.185
345 2HB ARG 49 2HB ARG 49 -4.152 -4.418 2.548
346 1HG ARG 49 1HG ARG 49 -6.246 -4.111 3.767
347 2HG ARG 49 2HG ARG 49 -7.210 -4.702 2.414
348 1HD ARG 49 1HD ARG 49 -5.031 -6.447 3.560
349 2HD ARG 49 2HD ARG 49 -6.626 -6.324 4.310
350 HE ARG 49 HE ARG 49 -7.684 -7.291 2.507
351 1HH1 ARG 49 1HH1 ARG 49 -4.205 -7.034 1.727
352 2HH1 ARG 49 2HH1 ARG 49 -4.338 -8.137 0.381
353 1HH2 ARG 49 1HH2 ARG 49 -7.800 -8.673 0.744
354 2HH2 ARG 49 2HH2 ARG 49 -6.362 -9.046 -0.173
355 H CYS 50 H CYS 50 -3.236 -1.475 0.851
356 HA CYS 50 HA CYS 50 -3.442 -1.853 -2.063
357 1HB CYS 50 1HB CYS 50 -2.983 0.392 -1.189
358 2HB CYS 50 2HB CYS 50 -1.520 -0.201 -0.385
359 H TYR 51 H TYR 51 -2.319 -3.356 -3.144
360 HA TYR 51 HA TYR 51 0.009 -4.713 -1.865
361 1HB TYR 51 1HB TYR 51 -2.491 -5.814 -2.571
362 2HB TYR 51 2HB TYR 51 -1.481 -6.256 -3.907
363 HD1 TYR 51 HD1 TYR 51 -1.611 -6.267 -0.160
364 HD2 TYR 51 HD2 TYR 51 0.064 -8.087 -3.694
365 HE1 TYR 51 HE1 TYR 51 -0.559 -8.020 1.239
366 HE2 TYR 51 HE2 TYR 51 1.061 -9.873 -2.298
367 HH TYR 51 HH TYR 51 1.315 -10.728 -0.175
368 H ASP 52 H ASP 52 -0.077 -2.319 -3.648
369 HA ASP 52 HA ASP 52 0.571 -2.933 -6.297
370 1HB ASP 52 1HB ASP 52 0.055 -0.684 -5.397
371 2HB ASP 52 2HB ASP 52 1.613 -0.661 -4.553
372 HD2 ASP 52 HD2 ASP 52 2.788 1.026 -7.361
373 H ILE 53 H ILE 53 2.555 -3.207 -7.401
374 HA ILE 53 HA ILE 53 4.777 -4.274 -5.715
375 HB ILE 53 HB ILE 53 4.357 -4.629 -8.696
376 1HG1 ILE 53 1HG1 ILE 53 2.509 -5.758 -7.671
377 2HG1 ILE 53 2HG1 ILE 53 3.699 -6.957 -8.175
378 1HG2 ILE 53 1HG2 ILE 53 6.064 -6.435 -8.373
379 2HG2 ILE 53 2HG2 ILE 53 6.693 -4.833 -7.990
380 3HG2 ILE 53 3HG2 ILE 53 6.251 -5.933 -6.682
381 1HD1 ILE 53 1HD1 ILE 53 2.789 -7.531 -5.989
382 2HD1 ILE 53 2HD1 ILE 53 4.505 -7.124 -5.810
383 3HD1 ILE 53 3HD1 ILE 53 3.248 -5.960 -5.325
384 H THR 54 H THR 54 6.629 -3.219 -5.679
385 HA THR 54 HA THR 54 7.120 -0.880 -7.428
386 HB THR 54 HB THR 54 7.616 0.409 -5.290
387 HG1 THR 54 HG1 THR 54 6.253 -1.782 -4.114
388 1HG2 THR 54 1HG2 THR 54 5.332 0.994 -4.791
389 2HG2 THR 54 2HG2 THR 54 5.472 0.709 -6.535
390 3HG2 THR 54 3HG2 THR 54 4.726 -0.517 -5.485
391 H ASP 55 H ASP 55 9.371 0.051 -6.303
392 HA ASP 55 HA ASP 55 11.204 -2.249 -5.800
393 1HB ASP 55 1HB ASP 55 11.135 -0.962 -8.170
394 2HB ASP 55 2HB ASP 55 12.182 0.163 -7.307
395 HD2 ASP 55 HD2 ASP 55 14.643 -2.500 -6.810
396 H PHE 56 H PHE 56 9.670 0.011 -4.289
397 HA PHE 56 HA PHE 56 11.824 1.060 -2.585
398 1HB PHE 56 1HB PHE 56 10.868 3.398 -3.149
399 2HB PHE 56 2HB PHE 56 11.922 2.633 -4.315
400 HD1 PHE 56 HD1 PHE 56 8.328 3.376 -3.531
401 HD2 PHE 56 HD2 PHE 56 11.167 2.210 -6.565
402 HE1 PHE 56 HE1 PHE 56 6.546 3.450 -5.249
403 HE2 PHE 56 HE2 PHE 56 9.375 2.300 -8.273
404 HZ PHE 56 HZ PHE 56 7.056 2.908 -7.614
405 H CYS 57 H CYS 57 10.736 2.738 -1.096
406 HA CYS 57 HA CYS 57 8.048 1.808 -0.164
407 1HB CYS 57 1HB CYS 57 9.747 0.928 1.324
408 2HB CYS 57 2HB CYS 57 10.474 2.536 1.499
409 H TYR 58 H TYR 58 6.698 3.388 0.575
410 HA TYR 58 HA TYR 58 7.290 6.190 -0.148
411 1HB TYR 58 1HB TYR 58 4.782 4.605 0.545
412 2HB TYR 58 2HB TYR 58 4.782 6.345 0.362
413 HD1 TYR 58 HD1 TYR 58 4.281 3.297 -1.382
414 HD2 TYR 58 HD2 TYR 58 5.805 7.302 -1.881
415 HE1 TYR 58 HE1 TYR 58 3.959 3.122 -3.832
416 HE2 TYR 58 HE2 TYR 58 5.456 7.134 -4.323
417 HH TYR 58 HH TYR 58 4.689 5.833 -6.060
418 HA PRO 59 HA PRO 59 7.624 7.313 4.180
419 1HB PRO 59 1HB PRO 59 6.395 9.775 4.289
420 2HB PRO 59 2HB PRO 59 7.989 9.493 3.529
421 1HG PRO 59 1HG PRO 59 5.288 9.600 2.159
422 2HG PRO 59 2HG PRO 59 6.789 10.465 1.701
423 1HD PRO 59 1HD PRO 59 6.084 8.164 0.487
424 2HD PRO 59 2HD PRO 59 7.795 8.460 0.903
425 H SER 60 H SER 60 6.260 7.742 6.149
426 HA SER 60 HA SER 60 4.241 5.848 6.229
427 1HB SER 60 1HB SER 60 3.893 7.178 8.553
428 2HB SER 60 2HB SER 60 5.118 5.952 8.236
429 HG SER 60 HG SER 60 6.032 7.861 9.121
430 H CYS 61 H CYS 61 2.086 5.896 6.319
431 HA CYS 61 HA CYS 61 0.723 8.211 5.173
432 1HB CYS 61 1HB CYS 61 0.326 5.582 4.849
433 2HB CYS 61 2HB CYS 61 -0.822 5.831 6.151
434 H SER 62 H SER 62 -1.559 8.671 6.119
435 HA SER 62 HA SER 62 -1.800 8.569 9.027
436 1HB SER 62 1HB SER 62 -1.906 11.172 7.428
437 2HB SER 62 2HB SER 62 -2.322 10.954 9.134
438 HG SER 62 HG SER 62 -0.097 10.135 9.356
Start of MODEL 3
1 1H THR 1 1H THR 1 -6.209 15.426 9.990
2 2H THR 1 2H THR 1 -7.417 14.853 9.021
3 3H THR 1 3H THR 1 -5.883 14.966 8.435
4 HA THR 1 HA THR 1 -7.582 17.213 9.207
5 HB THR 1 HB THR 1 -5.785 18.553 8.068
6 HG1 THR 1 HG1 THR 1 -4.126 16.325 8.620
7 1HG2 THR 1 1HG2 THR 1 -6.036 18.597 10.495
8 2HG2 THR 1 2HG2 THR 1 -4.997 17.160 10.658
9 3HG2 THR 1 3HG2 THR 1 -4.328 18.680 10.027
10 H LYS 2 H LYS 2 -8.450 18.436 7.516
11 HA LYS 2 HA LYS 2 -8.934 17.114 4.952
12 1HB LYS 2 1HB LYS 2 -10.683 18.450 6.081
13 2HB LYS 2 2HB LYS 2 -9.633 19.865 6.057
14 1HG LYS 2 1HG LYS 2 -11.218 20.134 4.342
15 2HG LYS 2 2HG LYS 2 -9.688 19.801 3.526
16 1HD LYS 2 1HD LYS 2 -10.365 17.458 3.152
17 2HD LYS 2 2HD LYS 2 -11.878 17.725 4.036
18 1HE LYS 2 1HE LYS 2 -11.043 19.174 1.474
19 2HE LYS 2 2HE LYS 2 -12.142 17.786 1.549
20 1HZ LYS 2 1HZ LYS 2 -13.620 19.096 2.893
21 2HZ LYS 2 2HZ LYS 2 -12.615 20.400 2.797
22 3HZ LYS 2 3HZ LYS 2 -13.341 19.819 1.440
23 H SER 3 H SER 3 -6.770 16.879 4.202
24 HA SER 3 HA SER 3 -5.463 19.291 3.114
25 1HB SER 3 1HB SER 3 -4.075 17.374 5.048
26 2HB SER 3 2HB SER 3 -3.335 18.759 4.221
27 HG SER 3 HG SER 3 -5.006 20.037 5.326
28 H THR 4 H THR 4 -3.384 18.510 1.923
29 HA THR 4 HA THR 4 -4.203 16.741 -0.096
30 HB THR 4 HB THR 4 -2.567 18.521 -0.428
31 HG1 THR 4 HG1 THR 4 -2.622 16.786 -1.856
32 1HG2 THR 4 1HG2 THR 4 -1.227 18.234 1.694
33 2HG2 THR 4 2HG2 THR 4 -0.528 16.753 1.000
34 3HG2 THR 4 3HG2 THR 4 -0.245 18.316 0.222
35 H THR 5 H THR 5 -3.910 14.629 -0.506
36 HA THR 5 HA THR 5 -2.610 12.888 1.548
37 HB THR 5 HB THR 5 -4.914 12.669 1.899
38 HG1 THR 5 HG1 THR 5 -4.058 10.615 0.155
39 1HG2 THR 5 1HG2 THR 5 -6.556 12.066 0.145
40 2HG2 THR 5 2HG2 THR 5 -5.927 13.705 -0.043
41 3HG2 THR 5 3HG2 THR 5 -5.350 12.406 -1.107
42 H THR 6 H THR 6 -0.731 13.290 0.169
43 HA THR 6 HA THR 6 -0.542 12.346 -2.514
44 HB THR 6 HB THR 6 1.866 12.476 -2.115
45 HG1 THR 6 HG1 THR 6 1.144 12.927 0.590
46 1HG2 THR 6 1HG2 THR 6 0.433 14.825 -0.799
47 2HG2 THR 6 2HG2 THR 6 2.048 14.828 -1.524
48 3HG2 THR 6 3HG2 THR 6 0.622 14.573 -2.548
49 H ALA 7 H ALA 7 1.034 10.571 -3.112
50 HA ALA 7 HA ALA 7 0.152 8.001 -2.296
51 1HB ALA 7 1HB ALA 7 2.155 7.208 -3.537
52 2HB ALA 7 2HB ALA 7 1.139 8.337 -4.465
53 3HB ALA 7 3HB ALA 7 2.668 8.893 -3.741
54 H CYS 8 H CYS 8 0.256 7.481 -0.179
55 HA CYS 8 HA CYS 8 2.950 7.510 1.162
56 1HB CYS 8 1HB CYS 8 1.953 7.966 3.189
57 2HB CYS 8 2HB CYS 8 1.212 9.099 2.110
58 H CYS 9 H CYS 9 2.693 6.099 3.128
59 HA CYS 9 HA CYS 9 1.642 3.436 2.989
60 1HB CYS 9 1HB CYS 9 3.168 3.381 1.008
61 2HB CYS 9 2HB CYS 9 4.485 3.987 2.006
62 H ASP 10 H ASP 10 3.067 2.126 4.764
63 HA ASP 10 HA ASP 10 4.920 3.894 6.228
64 1HB ASP 10 1HB ASP 10 2.693 4.149 7.367
65 2HB ASP 10 2HB ASP 10 2.748 2.426 7.753
66 HD2 ASP 10 HD2 ASP 10 4.417 4.884 10.241
67 H PHE 11 H PHE 11 3.366 0.623 6.481
68 HA PHE 11 HA PHE 11 6.040 -0.529 6.997
69 1HB PHE 11 1HB PHE 11 3.967 -2.518 6.926
70 2HB PHE 11 2HB PHE 11 5.053 -2.040 8.203
71 HD1 PHE 11 HD1 PHE 11 1.681 -2.415 7.391
72 HD2 PHE 11 HD2 PHE 11 4.361 0.285 9.424
73 HE1 PHE 11 HE1 PHE 11 -0.152 -1.732 8.895
74 HE2 PHE 11 HE2 PHE 11 2.491 1.062 10.846
75 HZ PHE 11 HZ PHE 11 0.239 0.026 10.625
76 H CYS 12 H CYS 12 7.171 -0.743 5.146
77 HA CYS 12 HA CYS 12 5.893 -2.007 2.778
78 1HB CYS 12 1HB CYS 12 7.605 -0.848 1.465
79 2HB CYS 12 2HB CYS 12 6.403 0.164 2.236
80 HA PRO 13 HA PRO 13 9.201 -5.004 4.098
81 1HB PRO 13 1HB PRO 13 7.702 -7.289 3.896
82 2HB PRO 13 2HB PRO 13 7.747 -6.285 5.373
83 1HG PRO 13 1HG PRO 13 5.693 -6.192 3.145
84 2HG PRO 13 2HG PRO 13 5.392 -6.324 4.907
85 1HD PRO 13 1HD PRO 13 5.278 -3.947 3.635
86 2HD PRO 13 2HD PRO 13 6.015 -4.056 5.258
87 H CYS 14 H CYS 14 10.205 -6.520 2.650
88 HA CYS 14 HA CYS 14 9.294 -6.489 -0.155
89 1HB CYS 14 1HB CYS 14 12.119 -5.804 0.746
90 2HB CYS 14 2HB CYS 14 11.447 -5.630 -0.867
91 H THR 15 H THR 15 10.666 -7.865 -1.544
92 HA THR 15 HA THR 15 11.561 -10.358 -0.247
93 HB THR 15 HB THR 15 11.948 -11.057 -2.585
94 HG1 THR 15 HG1 THR 15 11.595 -9.709 -4.240
95 1HG2 THR 15 1HG2 THR 15 9.692 -11.365 -1.566
96 2HG2 THR 15 2HG2 THR 15 9.187 -9.805 -2.253
97 3HG2 THR 15 3HG2 THR 15 9.629 -11.146 -3.326
98 H ARG 16 H ARG 16 13.738 -11.161 -0.770
99 HA ARG 16 HA ARG 16 15.805 -9.017 -1.151
100 1HB ARG 16 1HB ARG 16 16.011 -11.730 0.201
101 2HB ARG 16 2HB ARG 16 17.334 -10.575 -0.055
102 1HG ARG 16 1HG ARG 16 16.111 -8.882 1.312
103 2HG ARG 16 2HG ARG 16 14.848 -10.085 1.630
104 1HD ARG 16 1HD ARG 16 16.554 -11.569 2.711
105 2HD ARG 16 2HD ARG 16 17.804 -10.376 2.338
106 HE ARG 16 HE ARG 16 17.244 -9.201 4.177
107 1HH1 ARG 16 1HH1 ARG 16 14.415 -11.186 3.349
108 2HH1 ARG 16 2HH1 ARG 16 13.480 -10.643 4.717
109 1HH2 ARG 16 1HH2 ARG 16 16.031 -8.548 5.993
110 2HH2 ARG 16 2HH2 ARG 16 14.415 -9.153 6.241
111 H SER 17 H SER 17 14.252 -10.144 -3.316
112 HA SER 17 HA SER 17 15.900 -12.164 -4.620
113 1HB SER 17 1HB SER 17 14.120 -11.883 -6.388
114 2HB SER 17 2HB SER 17 13.546 -12.367 -4.805
115 HG SER 17 HG SER 17 13.480 -9.772 -5.946
116 H ILE 18 H ILE 18 16.026 -11.617 -7.103
117 HA ILE 18 HA ILE 18 17.580 -9.109 -7.438
118 HB ILE 18 HB ILE 18 19.052 -10.878 -7.170
119 1HG1 ILE 18 1HG1 ILE 18 20.280 -10.944 -9.305
120 2HG1 ILE 18 2HG1 ILE 18 18.870 -10.337 -10.175
121 1HG2 ILE 18 1HG2 ILE 18 17.652 -12.851 -7.607
122 2HG2 ILE 18 2HG2 ILE 18 17.752 -12.537 -9.353
123 3HG2 ILE 18 3HG2 ILE 18 19.207 -12.906 -8.428
124 1HD1 ILE 18 1HD1 ILE 18 20.591 -8.595 -9.669
125 2HD1 ILE 18 2HD1 ILE 18 19.011 -8.198 -8.981
126 3HD1 ILE 18 3HD1 ILE 18 20.301 -8.839 -7.934
127 HA PRO 19 HA PRO 19 16.810 -7.236 -7.981
128 1HB PRO 19 1HB PRO 19 14.904 -5.471 -8.640
129 2HB PRO 19 2HB PRO 19 16.252 -5.857 -9.744
130 1HG PRO 19 1HG PRO 19 13.442 -6.996 -9.792
131 2HG PRO 19 2HG PRO 19 14.364 -6.296 -11.155
132 1HD PRO 19 1HD PRO 19 14.270 -8.996 -10.669
133 2HD PRO 19 2HD PRO 19 15.735 -8.212 -11.327
134 HA PRO 20 HA PRO 20 13.750 -8.004 -4.731
135 1HB PRO 20 1HB PRO 20 14.005 -5.869 -3.117
136 2HB PRO 20 2HB PRO 20 15.350 -7.022 -3.366
137 1HG PRO 20 1HG PRO 20 14.924 -4.377 -4.799
138 2HG PRO 20 2HG PRO 20 16.399 -4.926 -3.951
139 1HD PRO 20 1HD PRO 20 16.094 -5.226 -6.641
140 2HD PRO 20 2HD PRO 20 16.906 -6.483 -5.663
141 H GLN 21 H GLN 21 11.587 -7.509 -4.232
142 HA GLN 21 HA GLN 21 10.302 -5.145 -5.523
143 1HB GLN 21 1HB GLN 21 9.386 -8.038 -5.243
144 2HB GLN 21 2HB GLN 21 8.312 -6.704 -5.627
145 1HG GLN 21 1HG GLN 21 8.860 -6.789 -7.806
146 2HG GLN 21 2HG GLN 21 10.566 -6.554 -7.445
147 1HE2 GLN 21 1HE2 GLN 21 11.836 -8.514 -6.790
148 2HE2 GLN 21 2HE2 GLN 21 11.387 -10.058 -7.478
149 H CYS 22 H CYS 22 9.121 -3.962 -4.148
150 HA CYS 22 HA CYS 22 8.650 -4.917 -1.371
151 1HB CYS 22 1HB CYS 22 8.895 -2.090 -2.425
152 2HB CYS 22 2HB CYS 22 8.542 -2.545 -0.762
153 H GLN 23 H GLN 23 6.668 -4.470 -0.404
154 HA GLN 23 HA GLN 23 4.507 -3.305 -2.053
155 1HB GLN 23 1HB GLN 23 4.307 -5.704 -2.399
156 2HB GLN 23 2HB GLN 23 4.368 -6.019 -0.654
157 1HG GLN 23 1HG GLN 23 2.234 -5.050 -0.269
158 2HG GLN 23 2HG GLN 23 2.248 -4.201 -1.823
159 1HE2 GLN 23 1HE2 GLN 23 2.357 -5.640 -3.814
160 2HE2 GLN 23 2HE2 GLN 23 1.420 -7.120 -3.796
161 H CYS 24 H CYS 24 2.812 -2.443 -0.771
162 HA CYS 24 HA CYS 24 3.668 -1.619 1.967
163 1HB CYS 24 1HB CYS 24 1.975 -0.383 -0.198
164 2HB CYS 24 2HB CYS 24 1.870 0.154 1.483
165 H THR 25 H THR 25 2.721 -2.545 3.567
166 HA THR 25 HA THR 25 0.368 -4.294 3.062
167 HB THR 25 HB THR 25 1.314 -5.583 4.977
168 HG1 THR 25 HG1 THR 25 3.423 -3.685 4.758
169 1HG2 THR 25 1HG2 THR 25 3.280 -5.081 2.706
170 2HG2 THR 25 2HG2 THR 25 3.208 -6.504 3.766
171 3HG2 THR 25 3HG2 THR 25 1.872 -6.161 2.652
172 H ASP 26 H ASP 26 0.518 -1.264 4.111
173 HA ASP 26 HA ASP 26 -0.890 -1.374 6.582
174 1HB ASP 26 1HB ASP 26 -0.817 0.645 4.309
175 2HB ASP 26 2HB ASP 26 -1.600 0.896 5.857
176 HD2 ASP 26 HD2 ASP 26 1.245 1.236 7.769
177 H VAL 27 H VAL 27 -3.119 -1.022 6.867
178 HA VAL 27 HA VAL 27 -4.938 -1.977 4.719
179 HB VAL 27 HB VAL 27 -4.882 -3.034 7.577
180 1HG1 VAL 27 1HG1 VAL 27 -6.632 -3.775 5.186
181 2HG1 VAL 27 2HG1 VAL 27 -6.631 -4.586 6.767
182 3HG1 VAL 27 3HG1 VAL 27 -7.167 -2.911 6.642
183 1HG2 VAL 27 1HG2 VAL 27 -3.041 -4.024 6.303
184 2HG2 VAL 27 2HG2 VAL 27 -4.330 -5.216 6.465
185 3HG2 VAL 27 3HG2 VAL 27 -4.122 -4.348 4.927
186 H ARG 28 H ARG 28 -6.532 -0.526 4.491
187 HA ARG 28 HA ARG 28 -7.436 1.288 6.617
188 1HB ARG 28 1HB ARG 28 -5.141 1.828 4.850
189 2HB ARG 28 2HB ARG 28 -6.367 3.045 4.614
190 1HG ARG 28 1HG ARG 28 -5.315 2.238 7.360
191 2HG ARG 28 2HG ARG 28 -4.607 3.514 6.378
192 1HD ARG 28 1HD ARG 28 -7.519 3.499 7.293
193 2HD ARG 28 2HD ARG 28 -6.222 4.334 8.133
194 HE ARG 28 HE ARG 28 -7.555 5.123 5.667
195 1HH1 ARG 28 1HH1 ARG 28 -4.599 5.575 7.605
196 2HH1 ARG 28 2HH1 ARG 28 -4.187 7.083 6.837
197 1HH2 ARG 28 1HH2 ARG 28 -6.965 7.055 4.640
198 2HH2 ARG 28 2HH2 ARG 28 -5.529 7.918 5.130
199 H GLU 29 H GLU 29 -8.423 3.319 4.885
200 HA GLU 29 HA GLU 29 -10.615 2.021 3.550
201 1HB GLU 29 1HB GLU 29 -10.420 4.314 4.832
202 2HB GLU 29 2HB GLU 29 -9.784 4.938 3.318
203 1HG GLU 29 1HG GLU 29 -12.148 5.382 3.530
204 2HG GLU 29 2HG GLU 29 -11.940 4.210 2.222
205 HE2 GLU 29 HE2 GLU 29 -13.749 3.062 5.669
206 H LYS 30 H LYS 30 -10.317 4.194 1.284
207 HA LYS 30 HA LYS 30 -9.483 2.324 -0.652
208 1HB LYS 30 1HB LYS 30 -9.592 5.327 -0.971
209 2HB LYS 30 2HB LYS 30 -9.691 4.122 -2.237
210 1HG LYS 30 1HG LYS 30 -11.902 4.004 -2.079
211 2HG LYS 30 2HG LYS 30 -11.808 3.497 -0.392
212 1HD LYS 30 1HD LYS 30 -11.724 5.872 0.323
213 2HD LYS 30 2HD LYS 30 -11.763 6.389 -1.377
214 1HE LYS 30 1HE LYS 30 -13.982 5.349 -1.672
215 2HE LYS 30 2HE LYS 30 -13.953 4.771 0.006
216 1HZ LYS 30 1HZ LYS 30 -13.902 7.046 0.724
217 2HZ LYS 30 2HZ LYS 30 -13.926 7.586 -0.833
218 3HZ LYS 30 3HZ LYS 30 -15.218 6.766 -0.225
219 H CYS 31 H CYS 31 -7.722 2.482 -2.157
220 HA CYS 31 HA CYS 31 -5.206 2.749 -0.765
221 1HB CYS 31 1HB CYS 31 -5.896 1.904 -3.597
222 2HB CYS 31 2HB CYS 31 -4.314 1.839 -2.863
223 H HIS 32 H HIS 32 -3.308 3.718 -2.034
224 HA HIS 32 HA HIS 32 -3.964 6.522 -2.468
225 1HB HIS 32 1HB HIS 32 -1.629 6.927 -2.341
226 2HB HIS 32 2HB HIS 32 -2.242 6.109 -0.950
227 HD1 HIS 32 HD1 HIS 32 0.385 5.895 -3.569
228 HD2 HIS 32 HD2 HIS 32 -1.417 3.405 -0.705
229 HE1 HIS 32 HE1 HIS 32 1.945 3.903 -3.232
230 HE2 HIS 32 HE2 HIS 32 0.857 2.353 -1.496
231 H SER 33 H SER 33 -2.569 7.691 -4.021
232 HA SER 33 HA SER 33 -3.490 7.245 -6.617
233 1HB SER 33 1HB SER 33 -2.818 9.429 -5.680
234 2HB SER 33 2HB SER 33 -1.124 8.902 -5.758
235 HG SER 33 HG SER 33 -1.669 10.105 -7.588
236 H ALA 34 H ALA 34 -0.495 6.186 -5.141
237 HA ALA 34 HA ALA 34 0.560 5.181 -7.763
238 1HB ALA 34 1HB ALA 34 2.729 5.235 -6.770
239 2HB ALA 34 2HB ALA 34 1.966 6.812 -6.478
240 3HB ALA 34 3HB ALA 34 2.067 5.613 -5.168
241 H CYS 35 H CYS 35 -1.546 3.833 -6.612
242 HA CYS 35 HA CYS 35 -0.349 1.189 -6.193
243 1HB CYS 35 1HB CYS 35 -0.624 1.878 -3.942
244 2HB CYS 35 2HB CYS 35 -2.229 2.549 -4.247
245 H LYS 36 H LYS 36 -1.203 0.076 -7.801
246 HA LYS 36 HA LYS 36 -3.546 1.140 -9.231
247 1HB LYS 36 1HB LYS 36 -1.258 -0.749 -9.924
248 2HB LYS 36 2HB LYS 36 -2.528 -0.257 -11.038
249 1HG LYS 36 1HG LYS 36 -1.826 2.135 -10.760
250 2HG LYS 36 2HG LYS 36 -0.552 1.616 -9.637
251 1HD LYS 36 1HD LYS 36 0.416 0.172 -11.427
252 2HD LYS 36 2HD LYS 36 -0.798 0.806 -12.561
253 1HE LYS 36 1HE LYS 36 0.078 3.110 -12.189
254 2HE LYS 36 2HE LYS 36 1.294 2.465 -11.068
255 1HZ LYS 36 1HZ LYS 36 2.160 2.801 -13.274
256 2HZ LYS 36 2HZ LYS 36 2.210 1.205 -12.863
257 3HZ LYS 36 3HZ LYS 36 1.057 1.752 -13.906
258 H SER 37 H SER 37 -2.274 -1.836 -7.841
259 HA SER 37 HA SER 37 -4.901 -3.211 -8.253
260 1HB SER 37 1HB SER 37 -2.868 -4.388 -8.999
261 2HB SER 37 2HB SER 37 -2.273 -4.397 -7.322
262 HG SER 37 HG SER 37 -4.253 -5.505 -6.793
263 H CYS 38 H CYS 38 -6.169 -2.699 -6.725
264 HA CYS 38 HA CYS 38 -5.333 -2.487 -3.865
265 1HB CYS 38 1HB CYS 38 -6.034 -0.341 -4.906
266 2HB CYS 38 2HB CYS 38 -7.611 -1.054 -5.274
267 H LEU 39 H LEU 39 -6.346 -3.897 -2.579
268 HA LEU 39 HA LEU 39 -8.630 -5.532 -3.575
269 1HB LEU 39 1HB LEU 39 -5.959 -6.369 -3.554
270 2HB LEU 39 2HB LEU 39 -6.540 -6.959 -2.009
271 HG LEU 39 HG LEU 39 -6.734 -8.699 -3.592
272 1HD1 LEU 39 1HD1 LEU 39 -9.564 -7.644 -3.367
273 2HD1 LEU 39 2HD1 LEU 39 -9.029 -9.321 -3.546
274 3HD1 LEU 39 3HD1 LEU 39 -8.668 -8.444 -2.047
275 1HD2 LEU 39 1HD2 LEU 39 -6.613 -7.323 -5.646
276 2HD2 LEU 39 2HD2 LEU 39 -7.886 -8.553 -5.728
277 3HD2 LEU 39 3HD2 LEU 39 -8.312 -6.856 -5.434
278 H CYS 40 H CYS 40 -9.929 -6.394 -1.874
279 HA CYS 40 HA CYS 40 -9.397 -5.334 0.844
280 1HB CYS 40 1HB CYS 40 -12.102 -5.194 -0.493
281 2HB CYS 40 2HB CYS 40 -11.586 -4.367 0.968
282 H THR 41 H THR 41 -10.678 -6.246 2.511
283 HA THR 41 HA THR 41 -11.015 -9.144 2.060
284 HB THR 41 HB THR 41 -9.741 -8.410 3.999
285 HG1 THR 41 HG1 THR 41 -10.800 -9.776 5.424
286 1HG2 THR 41 1HG2 THR 41 -10.890 -6.346 4.644
287 2HG2 THR 41 2HG2 THR 41 -12.371 -7.247 5.028
288 3HG2 THR 41 3HG2 THR 41 -10.895 -7.494 5.982
289 H ARG 42 H ARG 42 -12.915 -10.280 2.694
290 HA ARG 42 HA ARG 42 -15.427 -8.847 2.120
291 1HB ARG 42 1HB ARG 42 -16.354 -11.055 1.835
292 2HB ARG 42 2HB ARG 42 -14.914 -10.836 0.832
293 1HG ARG 42 1HG ARG 42 -13.581 -12.174 2.400
294 2HG ARG 42 2HG ARG 42 -14.956 -12.276 3.521
295 1HD ARG 42 1HD ARG 42 -14.727 -14.349 2.244
296 2HD ARG 42 2HD ARG 42 -16.257 -13.529 1.875
297 HE ARG 42 HE ARG 42 -14.225 -12.728 0.016
298 1HH1 ARG 42 1HH1 ARG 42 -16.249 -15.540 0.794
299 2HH1 ARG 42 2HH1 ARG 42 -16.333 -16.094 -0.859
300 1HH2 ARG 42 1HH2 ARG 42 -14.352 -13.464 -2.150
301 2HH2 ARG 42 2HH2 ARG 42 -15.243 -14.914 -2.535
302 H SER 43 H SER 43 -13.708 -9.068 4.847
303 HA SER 43 HA SER 43 -15.470 -10.250 6.721
304 1HB SER 43 1HB SER 43 -13.310 -8.135 7.096
305 2HB SER 43 2HB SER 43 -13.960 -9.213 8.336
306 HG SER 43 HG SER 43 -12.550 -10.026 6.015
307 H PHE 44 H PHE 44 -16.033 -8.679 8.700
308 HA PHE 44 HA PHE 44 -17.411 -6.232 7.709
309 1HB PHE 44 1HB PHE 44 -19.053 -7.902 8.256
310 2HB PHE 44 2HB PHE 44 -18.325 -8.163 9.841
311 HD1 PHE 44 HD1 PHE 44 -19.962 -5.552 7.688
312 HD2 PHE 44 HD2 PHE 44 -18.933 -6.772 11.697
313 HE1 PHE 44 HE1 PHE 44 -21.314 -3.688 8.608
314 HE2 PHE 44 HE2 PHE 44 -20.300 -4.918 12.608
315 HZ PHE 44 HZ PHE 44 -21.484 -3.366 11.068
316 HA PRO 45 HA PRO 45 -17.183 -4.107 7.967
317 1HB PRO 45 1HB PRO 45 -15.352 -2.113 7.843
318 2HB PRO 45 2HB PRO 45 -16.572 -2.219 9.143
319 1HG PRO 45 1HG PRO 45 -13.699 -3.186 9.245
320 2HG PRO 45 2HG PRO 45 -14.536 -2.126 10.417
321 1HD PRO 45 1HD PRO 45 -14.336 -4.816 10.815
322 2HD PRO 45 2HD PRO 45 -15.826 -3.938 11.260
323 HA PRO 46 HA PRO 46 -14.223 -5.628 4.784
324 1HB PRO 46 1HB PRO 46 -15.123 -4.329 2.582
325 2HB PRO 46 2HB PRO 46 -16.052 -5.657 3.338
326 1HG PRO 46 1HG PRO 46 -16.461 -2.678 3.699
327 2HG PRO 46 2HG PRO 46 -17.696 -3.923 3.360
328 1HD PRO 46 1HD PRO 46 -17.143 -2.983 5.893
329 2HD PRO 46 2HD PRO 46 -17.683 -4.665 5.597
330 H GLN 47 H GLN 47 -12.213 -4.800 4.216
331 HA GLN 47 HA GLN 47 -11.696 -1.903 4.323
332 1HB GLN 47 1HB GLN 47 -11.727 -2.846 6.680
333 2HB GLN 47 2HB GLN 47 -10.319 -3.833 6.247
334 1HG GLN 47 1HG GLN 47 -9.036 -1.794 5.772
335 2HG GLN 47 2HG GLN 47 -10.465 -0.789 6.085
336 1HE2 GLN 47 1HE2 GLN 47 -7.880 -0.639 7.455
337 2HE2 GLN 47 2HE2 GLN 47 -8.211 -0.966 9.144
338 H CYS 48 H CYS 48 -9.703 -1.334 3.350
339 HA CYS 48 HA CYS 48 -8.961 -3.380 1.359
340 1HB CYS 48 1HB CYS 48 -9.206 -0.392 1.237
341 2HB CYS 48 2HB CYS 48 -8.667 -1.404 -0.100
342 H ARG 49 H ARG 49 -6.977 -3.094 0.214
343 HA ARG 49 HA ARG 49 -4.576 -2.339 1.773
344 1HB ARG 49 1HB ARG 49 -5.202 -4.516 2.625
345 2HB ARG 49 2HB ARG 49 -5.463 -5.132 0.977
346 1HG ARG 49 1HG ARG 49 -3.070 -4.907 0.499
347 2HG ARG 49 2HG ARG 49 -2.777 -4.254 2.116
348 1HD ARG 49 1HD ARG 49 -2.195 -6.629 2.071
349 2HD ARG 49 2HD ARG 49 -3.627 -6.383 3.083
350 HE ARG 49 HE ARG 49 -4.758 -7.808 1.746
351 1HH1 ARG 49 1HH1 ARG 49 -2.142 -6.468 -0.279
352 2HH1 ARG 49 2HH1 ARG 49 -2.652 -7.335 -1.702
353 1HH2 ARG 49 1HH2 ARG 49 -5.404 -8.897 -0.135
354 2HH2 ARG 49 2HH2 ARG 49 -4.489 -8.744 -1.612
355 H CYS 50 H CYS 50 -2.696 -2.470 0.437
356 HA CYS 50 HA CYS 50 -3.164 -2.214 -2.482
357 1HB CYS 50 1HB CYS 50 -0.963 -1.433 -0.574
358 2HB CYS 50 2HB CYS 50 -0.609 -1.657 -2.282
359 H TYR 51 H TYR 51 -2.836 -3.849 -3.785
360 HA TYR 51 HA TYR 51 -1.008 -6.072 -3.024
361 1HB TYR 51 1HB TYR 51 -3.615 -6.208 -3.866
362 2HB TYR 51 2HB TYR 51 -2.803 -6.301 -5.412
363 HD1 TYR 51 HD1 TYR 51 -4.589 -8.378 -4.190
364 HD2 TYR 51 HD2 TYR 51 -0.307 -7.958 -4.188
365 HE1 TYR 51 HE1 TYR 51 -4.353 -10.763 -3.569
366 HE2 TYR 51 HE2 TYR 51 -0.068 -10.324 -3.562
367 HH TYR 51 HH TYR 51 -2.901 -12.441 -2.961
368 H ASP 52 H ASP 52 -0.504 -3.239 -4.127
369 HA ASP 52 HA ASP 52 0.426 -3.641 -6.852
370 1HB ASP 52 1HB ASP 52 -0.688 -1.582 -6.087
371 2HB ASP 52 2HB ASP 52 0.602 -1.300 -4.907
372 HD2 ASP 52 HD2 ASP 52 2.956 -0.299 -7.338
373 H ILE 53 H ILE 53 2.597 -3.478 -7.504
374 HA ILE 53 HA ILE 53 4.670 -4.142 -5.456
375 HB ILE 53 HB ILE 53 4.531 -4.704 -8.444
376 1HG1 ILE 53 1HG1 ILE 53 2.980 -6.160 -7.168
377 2HG1 ILE 53 2HG1 ILE 53 4.292 -7.031 -7.951
378 1HG2 ILE 53 1HG2 ILE 53 6.663 -5.350 -6.380
379 2HG2 ILE 53 2HG2 ILE 53 6.573 -6.117 -7.985
380 3HG2 ILE 53 3HG2 ILE 53 6.839 -4.376 -7.848
381 1HD1 ILE 53 1HD1 ILE 53 3.821 -7.876 -5.677
382 2HD1 ILE 53 2HD1 ILE 53 5.481 -7.284 -5.825
383 3HD1 ILE 53 3HD1 ILE 53 4.253 -6.306 -4.988
384 H THR 54 H THR 54 6.353 -2.759 -5.226
385 HA THR 54 HA THR 54 7.161 -1.065 -7.495
386 HB THR 54 HB THR 54 7.719 0.790 -5.877
387 HG1 THR 54 HG1 THR 54 7.420 -0.240 -3.920
388 1HG2 THR 54 1HG2 THR 54 5.549 1.860 -5.949
389 2HG2 THR 54 2HG2 THR 54 5.765 0.930 -7.448
390 3HG2 THR 54 3HG2 THR 54 4.734 0.301 -6.139
391 H ASP 55 H ASP 55 9.401 -0.666 -7.471
392 HA ASP 55 HA ASP 55 11.095 -2.520 -6.050
393 1HB ASP 55 1HB ASP 55 11.671 0.074 -7.544
394 2HB ASP 55 2HB ASP 55 12.900 -1.052 -6.960
395 HD2 ASP 55 HD2 ASP 55 12.154 -3.529 -9.385
396 H PHE 56 H PHE 56 9.980 0.764 -5.545
397 HA PHE 56 HA PHE 56 11.765 1.233 -3.218
398 1HB PHE 56 1HB PHE 56 11.059 3.637 -3.650
399 2HB PHE 56 2HB PHE 56 11.955 2.856 -4.919
400 HD1 PHE 56 HD1 PHE 56 11.043 2.607 -7.129
401 HD2 PHE 56 HD2 PHE 56 8.496 3.865 -3.876
402 HE1 PHE 56 HE1 PHE 56 9.225 3.102 -8.737
403 HE2 PHE 56 HE2 PHE 56 6.670 4.288 -5.490
404 HZ PHE 56 HZ PHE 56 7.038 3.960 -7.918
405 H CYS 57 H CYS 57 10.528 3.055 -1.840
406 HA CYS 57 HA CYS 57 7.804 2.235 -1.033
407 1HB CYS 57 1HB CYS 57 9.270 0.912 0.349
408 2HB CYS 57 2HB CYS 57 10.279 2.315 0.735
409 H TYR 58 H TYR 58 6.708 3.926 0.056
410 HA TYR 58 HA TYR 58 7.715 6.646 -0.495
411 1HB TYR 58 1HB TYR 58 5.018 5.417 0.199
412 2HB TYR 58 2HB TYR 58 5.278 7.145 0.198
413 HD1 TYR 58 HD1 TYR 58 4.673 4.221 -1.875
414 HD2 TYR 58 HD2 TYR 58 5.999 8.326 -1.928
415 HE1 TYR 58 HE1 TYR 58 4.360 4.298 -4.333
416 HE2 TYR 58 HE2 TYR 58 5.715 8.389 -4.382
417 HH TYR 58 HH TYR 58 5.216 7.182 -6.281
418 HA PRO 59 HA PRO 59 8.565 7.397 3.821
419 1HB PRO 59 1HB PRO 59 7.740 9.990 4.215
420 2HB PRO 59 2HB PRO 59 9.191 9.551 3.266
421 1HG PRO 59 1HG PRO 59 6.403 10.114 2.215
422 2HG PRO 59 2HG PRO 59 7.943 10.837 1.660
423 1HD PRO 59 1HD PRO 59 6.854 8.748 0.358
424 2HD PRO 59 2HD PRO 59 8.617 8.782 0.633
425 H SER 60 H SER 60 7.480 7.716 5.932
426 HA SER 60 HA SER 60 5.206 6.209 6.024
427 1HB SER 60 1HB SER 60 6.068 8.071 8.191
428 2HB SER 60 2HB SER 60 5.239 6.538 8.354
429 HG SER 60 HG SER 60 7.096 5.516 7.448
430 H CYS 61 H CYS 61 3.110 6.595 6.427
431 HA CYS 61 HA CYS 61 1.963 9.167 5.622
432 1HB CYS 61 1HB CYS 61 1.233 6.720 5.008
433 2HB CYS 61 2HB CYS 61 0.303 6.800 6.491
434 H SER 62 H SER 62 -0.007 9.892 6.822
435 HA SER 62 HA SER 62 0.311 9.899 9.788
436 1HB SER 62 1HB SER 62 0.158 12.093 8.704
437 2HB SER 62 2HB SER 62 -1.371 11.625 7.926
438 HG SER 62 HG SER 62 -1.699 12.811 9.844
Start of MODEL 4
1 1H THR 1 1H THR 1 2.730 27.484 -3.835
2 2H THR 1 2H THR 1 2.483 25.877 -4.125
3 3H THR 1 3H THR 1 2.156 26.993 -5.300
4 HA THR 1 HA THR 1 0.759 26.850 -2.737
5 HB THR 1 HB THR 1 -0.848 28.377 -3.835
6 HG1 THR 1 HG1 THR 1 -0.329 27.947 -5.991
7 1HG2 THR 1 1HG2 THR 1 1.997 29.486 -3.788
8 2HG2 THR 1 2HG2 THR 1 0.489 30.402 -3.636
9 3HG2 THR 1 3HG2 THR 1 0.957 29.262 -2.360
10 H LYS 2 H LYS 2 0.724 24.496 -3.082
11 HA LYS 2 HA LYS 2 -1.765 23.695 -4.292
12 1HB LYS 2 1HB LYS 2 -0.308 23.580 -6.284
13 2HB LYS 2 2HB LYS 2 0.862 22.586 -5.401
14 1HG LYS 2 1HG LYS 2 -0.722 20.747 -5.242
15 2HG LYS 2 2HG LYS 2 -2.036 21.765 -5.877
16 1HD LYS 2 1HD LYS 2 -0.797 21.973 -8.024
17 2HD LYS 2 2HD LYS 2 0.478 20.914 -7.377
18 1HE LYS 2 1HE LYS 2 -1.174 19.083 -7.099
19 2HE LYS 2 2HE LYS 2 -2.467 20.150 -7.678
20 1HZ LYS 2 1HZ LYS 2 -1.717 18.754 -9.412
21 2HZ LYS 2 2HZ LYS 2 -1.300 20.308 -9.766
22 3HZ LYS 2 3HZ LYS 2 -0.153 19.246 -9.241
23 H SER 3 H SER 3 -2.398 21.611 -3.493
24 HA SER 3 HA SER 3 -0.591 20.042 -1.840
25 1HB SER 3 1HB SER 3 -3.016 21.462 -0.648
26 2HB SER 3 2HB SER 3 -2.251 20.043 0.093
27 HG SER 3 HG SER 3 -0.774 22.356 -0.573
28 H THR 4 H THR 4 -1.464 17.930 -1.427
29 HA THR 4 HA THR 4 -4.009 17.110 -2.493
30 HB THR 4 HB THR 4 -2.752 17.425 -4.615
31 HG1 THR 4 HG1 THR 4 -3.059 14.679 -4.065
32 1HG2 THR 4 1HG2 THR 4 -0.440 17.005 -3.767
33 2HG2 THR 4 2HG2 THR 4 -0.844 15.285 -3.570
34 3HG2 THR 4 3HG2 THR 4 -0.843 16.019 -5.183
35 H THR 5 H THR 5 -4.199 14.707 -2.345
36 HA THR 5 HA THR 5 -2.893 13.648 0.062
37 HB THR 5 HB THR 5 -5.181 13.225 -0.029
38 HG1 THR 5 HG1 THR 5 -3.825 10.899 -0.892
39 1HG2 THR 5 1HG2 THR 5 -6.321 11.949 -1.821
40 2HG2 THR 5 2HG2 THR 5 -5.797 13.545 -2.355
41 3HG2 THR 5 3HG2 THR 5 -4.889 12.101 -2.851
42 H THR 6 H THR 6 -0.738 13.717 -0.752
43 HA THR 6 HA THR 6 0.246 12.402 -3.032
44 HB THR 6 HB THR 6 2.398 12.438 -1.786
45 HG1 THR 6 HG1 THR 6 1.430 12.123 0.310
46 1HG2 THR 6 1HG2 THR 6 1.618 14.434 -3.041
47 2HG2 THR 6 2HG2 THR 6 0.826 15.041 -1.570
48 3HG2 THR 6 3HG2 THR 6 2.588 14.864 -1.620
49 H ALA 7 H ALA 7 1.334 10.412 -3.309
50 HA ALA 7 HA ALA 7 0.108 8.110 -2.186
51 1HB ALA 7 1HB ALA 7 2.730 8.425 -3.700
52 2HB ALA 7 2HB ALA 7 1.895 6.889 -3.383
53 3HB ALA 7 3HB ALA 7 1.127 8.123 -4.406
54 H CYS 8 H CYS 8 0.343 7.304 -0.207
55 HA CYS 8 HA CYS 8 3.008 7.265 1.093
56 1HB CYS 8 1HB CYS 8 1.937 7.747 3.247
57 2HB CYS 8 2HB CYS 8 2.151 9.077 2.155
58 H CYS 9 H CYS 9 3.105 5.860 2.867
59 HA CYS 9 HA CYS 9 1.402 3.575 3.202
60 1HB CYS 9 1HB CYS 9 2.093 2.973 0.985
61 2HB CYS 9 2HB CYS 9 3.782 3.352 1.322
62 H ASP 10 H ASP 10 2.083 2.414 5.008
63 HA ASP 10 HA ASP 10 4.366 3.574 6.514
64 1HB ASP 10 1HB ASP 10 1.823 2.076 7.294
65 2HB ASP 10 2HB ASP 10 3.145 2.422 8.406
66 HD2 ASP 10 HD2 ASP 10 0.459 5.222 7.698
67 H PHE 11 H PHE 11 2.745 0.332 6.537
68 HA PHE 11 HA PHE 11 5.298 -1.007 6.931
69 1HB PHE 11 1HB PHE 11 2.642 -2.230 6.199
70 2HB PHE 11 2HB PHE 11 4.031 -3.015 6.944
71 HD1 PHE 11 HD1 PHE 11 4.275 -0.445 9.012
72 HD2 PHE 11 HD2 PHE 11 1.274 -3.338 7.888
73 HE1 PHE 11 HE1 PHE 11 3.200 -0.197 11.214
74 HE2 PHE 11 HE2 PHE 11 0.183 -3.059 10.087
75 HZ PHE 11 HZ PHE 11 1.136 -1.477 11.762
76 H CYS 12 H CYS 12 6.653 -1.028 5.223
77 HA CYS 12 HA CYS 12 5.644 -1.738 2.511
78 1HB CYS 12 1HB CYS 12 7.186 -0.095 1.625
79 2HB CYS 12 2HB CYS 12 5.934 0.623 2.627
80 HA PRO 13 HA PRO 13 9.317 -4.362 3.861
81 1HB PRO 13 1HB PRO 13 8.222 -6.855 3.539
82 2HB PRO 13 2HB PRO 13 8.023 -5.896 5.034
83 1HG PRO 13 1HG PRO 13 6.101 -6.072 2.693
84 2HG PRO 13 2HG PRO 13 5.740 -6.315 4.431
85 1HD PRO 13 1HD PRO 13 5.289 -3.927 3.248
86 2HD PRO 13 2HD PRO 13 5.991 -3.998 4.890
87 H CYS 14 H CYS 14 10.605 -5.735 2.448
88 HA CYS 14 HA CYS 14 9.728 -5.877 -0.367
89 1HB CYS 14 1HB CYS 14 12.515 -5.110 0.537
90 2HB CYS 14 2HB CYS 14 11.908 -5.143 -1.110
91 H THR 15 H THR 15 10.742 -7.456 -1.589
92 HA THR 15 HA THR 15 11.317 -9.927 -0.127
93 HB THR 15 HB THR 15 11.297 -10.871 -2.456
94 HG1 THR 15 HG1 THR 15 10.544 -8.235 -3.180
95 1HG2 THR 15 1HG2 THR 15 8.876 -9.122 -1.812
96 2HG2 THR 15 2HG2 THR 15 8.910 -10.533 -2.884
97 3HG2 THR 15 3HG2 THR 15 9.187 -10.738 -1.142
98 H ARG 16 H ARG 16 13.162 -11.276 -0.856
99 HA ARG 16 HA ARG 16 15.660 -9.647 -1.103
100 1HB ARG 16 1HB ARG 16 15.182 -12.436 0.016
101 2HB ARG 16 2HB ARG 16 16.724 -11.564 -0.033
102 1HG ARG 16 1HG ARG 16 15.774 -9.783 1.415
103 2HG ARG 16 2HG ARG 16 14.242 -10.678 1.506
104 1HD ARG 16 1HD ARG 16 15.437 -12.617 2.481
105 2HD ARG 16 2HD ARG 16 16.950 -11.683 2.467
106 HE ARG 16 HE ARG 16 15.082 -10.105 3.818
107 1HH1 ARG 16 1HH1 ARG 16 16.590 -13.285 4.279
108 2HH1 ARG 16 2HH1 ARG 16 16.400 -13.266 6.013
109 1HH2 ARG 16 1HH2 ARG 16 14.839 -10.095 6.105
110 2HH2 ARG 16 2HH2 ARG 16 15.408 -11.445 7.051
111 H SER 17 H SER 17 13.855 -10.592 -3.375
112 HA SER 17 HA SER 17 15.417 -12.602 -4.794
113 1HB SER 17 1HB SER 17 13.693 -12.013 -6.576
114 2HB SER 17 2HB SER 17 13.052 -12.627 -5.061
115 HG SER 17 HG SER 17 13.212 -9.919 -5.904
116 H ILE 18 H ILE 18 15.695 -11.896 -7.197
117 HA ILE 18 HA ILE 18 17.147 -9.306 -7.339
118 HB ILE 18 HB ILE 18 18.612 -11.179 -6.956
119 1HG1 ILE 18 1HG1 ILE 18 19.472 -9.178 -7.923
120 2HG1 ILE 18 2HG1 ILE 18 20.308 -10.602 -8.542
121 1HG2 ILE 18 1HG2 ILE 18 17.454 -12.963 -8.211
122 2HG2 ILE 18 2HG2 ILE 18 18.026 -12.247 -9.730
123 3HG2 ILE 18 3HG2 ILE 18 19.187 -12.833 -8.539
124 1HD1 ILE 18 1HD1 ILE 18 20.015 -9.061 -10.346
125 2HD1 ILE 18 2HD1 ILE 18 18.921 -10.415 -10.658
126 3HD1 ILE 18 3HD1 ILE 18 18.288 -8.875 -10.029
127 HA PRO 19 HA PRO 19 16.643 -7.439 -8.182
128 1HB PRO 19 1HB PRO 19 14.705 -5.695 -8.833
129 2HB PRO 19 2HB PRO 19 16.001 -6.142 -9.980
130 1HG PRO 19 1HG PRO 19 13.209 -7.325 -9.811
131 2HG PRO 19 2HG PRO 19 14.016 -6.644 -11.257
132 1HD PRO 19 1HD PRO 19 14.043 -9.321 -10.727
133 2HD PRO 19 2HD PRO 19 15.484 -8.515 -11.412
134 HA PRO 20 HA PRO 20 13.675 -8.089 -4.794
135 1HB PRO 20 1HB PRO 20 14.076 -5.931 -3.229
136 2HB PRO 20 2HB PRO 20 15.350 -7.165 -3.471
137 1HG PRO 20 1HG PRO 20 15.061 -4.526 -4.941
138 2HG PRO 20 2HG PRO 20 16.516 -5.157 -4.120
139 1HD PRO 20 1HD PRO 20 16.116 -5.479 -6.806
140 2HD PRO 20 2HD PRO 20 16.888 -6.761 -5.826
141 H GLN 21 H GLN 21 11.490 -7.661 -4.612
142 HA GLN 21 HA GLN 21 10.325 -5.226 -5.904
143 1HB GLN 21 1HB GLN 21 9.132 -7.929 -5.165
144 2HB GLN 21 2HB GLN 21 8.234 -6.528 -5.722
145 1HG GLN 21 1HG GLN 21 8.554 -7.188 -7.836
146 2HG GLN 21 2HG GLN 21 10.275 -6.831 -7.664
147 1HE2 GLN 21 1HE2 GLN 21 11.720 -8.597 -6.985
148 2HE2 GLN 21 2HE2 GLN 21 11.239 -10.263 -7.205
149 H CYS 22 H CYS 22 9.307 -3.797 -4.584
150 HA CYS 22 HA CYS 22 8.999 -4.423 -1.680
151 1HB CYS 22 1HB CYS 22 9.252 -1.797 -3.111
152 2HB CYS 22 2HB CYS 22 8.905 -1.979 -1.392
153 H GLN 23 H GLN 23 7.057 -4.052 -0.721
154 HA GLN 23 HA GLN 23 4.693 -3.361 -2.374
155 1HB GLN 23 1HB GLN 23 4.989 -6.014 -0.885
156 2HB GLN 23 2HB GLN 23 3.562 -5.438 -1.762
157 1HG GLN 23 1HG GLN 23 4.909 -5.454 -3.878
158 2HG GLN 23 2HG GLN 23 6.274 -6.135 -2.977
159 1HE2 GLN 23 1HE2 GLN 23 6.497 -8.252 -3.482
160 2HE2 GLN 23 2HE2 GLN 23 5.177 -9.395 -3.607
161 H CYS 24 H CYS 24 2.762 -3.091 -1.027
162 HA CYS 24 HA CYS 24 3.467 -2.173 1.723
163 1HB CYS 24 1HB CYS 24 1.426 -1.240 -0.294
164 2HB CYS 24 2HB CYS 24 1.340 -0.807 1.419
165 H THR 25 H THR 25 2.427 -2.912 3.459
166 HA THR 25 HA THR 25 0.431 -5.117 3.084
167 HB THR 25 HB THR 25 1.465 -6.089 5.131
168 HG1 THR 25 HG1 THR 25 3.546 -5.279 5.667
169 1HG2 THR 25 1HG2 THR 25 3.431 -6.993 4.027
170 2HG2 THR 25 2HG2 THR 25 2.107 -6.854 2.854
171 3HG2 THR 25 3HG2 THR 25 3.433 -5.668 2.841
172 H ASP 26 H ASP 26 0.929 -1.996 4.481
173 HA ASP 26 HA ASP 26 -0.631 -2.341 6.826
174 1HB ASP 26 1HB ASP 26 0.861 -0.464 6.540
175 2HB ASP 26 2HB ASP 26 -0.094 0.140 5.166
176 HD2 ASP 26 HD2 ASP 26 -1.781 0.358 8.876
177 H VAL 27 H VAL 27 -2.689 -1.611 7.265
178 HA VAL 27 HA VAL 27 -4.648 -2.125 5.056
179 HB VAL 27 HB VAL 27 -4.776 -2.999 7.966
180 1HG1 VAL 27 1HG1 VAL 27 -7.003 -2.554 6.974
181 2HG1 VAL 27 2HG1 VAL 27 -6.605 -3.606 5.597
182 3HG1 VAL 27 3HG1 VAL 27 -6.746 -4.287 7.230
183 1HG2 VAL 27 1HG2 VAL 27 -4.555 -5.297 6.980
184 2HG2 VAL 27 2HG2 VAL 27 -4.210 -4.565 5.404
185 3HG2 VAL 27 3HG2 VAL 27 -3.098 -4.326 6.765
186 H ARG 28 H ARG 28 -5.928 -0.448 4.662
187 HA ARG 28 HA ARG 28 -6.652 1.551 6.728
188 1HB ARG 28 1HB ARG 28 -4.948 1.911 4.241
189 2HB ARG 28 2HB ARG 28 -5.936 3.263 4.754
190 1HG ARG 28 1HG ARG 28 -4.173 2.038 6.855
191 2HG ARG 28 2HG ARG 28 -3.411 2.951 5.550
192 1HD ARG 28 1HD ARG 28 -3.921 4.359 7.536
193 2HD ARG 28 2HD ARG 28 -4.667 4.920 6.032
194 HE ARG 28 HE ARG 28 -6.257 3.168 7.812
195 1HH1 ARG 28 1HH1 ARG 28 -5.583 6.571 7.036
196 2HH1 ARG 28 2HH1 ARG 28 -7.245 7.062 7.193
197 1HH2 ARG 28 1HH2 ARG 28 -8.419 3.843 8.083
198 2HH2 ARG 28 2HH2 ARG 28 -8.839 5.529 7.899
199 H GLU 29 H GLU 29 -7.938 3.374 5.065
200 HA GLU 29 HA GLU 29 -10.169 1.901 3.931
201 1HB GLU 29 1HB GLU 29 -10.250 4.027 5.309
202 2HB GLU 29 2HB GLU 29 -9.518 4.888 3.962
203 1HG GLU 29 1HG GLU 29 -11.958 5.155 4.164
204 2HG GLU 29 2HG GLU 29 -11.527 4.456 2.608
205 HE2 GLU 29 HE2 GLU 29 -13.368 2.058 5.331
206 H LYS 30 H LYS 30 -9.854 4.425 1.786
207 HA LYS 30 HA LYS 30 -9.293 2.612 -0.300
208 1HB LYS 30 1HB LYS 30 -9.136 5.627 -0.334
209 2HB LYS 30 2HB LYS 30 -9.177 4.610 -1.752
210 1HG LYS 30 1HG LYS 30 -11.473 4.747 0.245
211 2HG LYS 30 2HG LYS 30 -11.363 5.650 -1.270
212 1HD LYS 30 1HD LYS 30 -11.181 3.506 -2.536
213 2HD LYS 30 2HD LYS 30 -11.425 2.611 -1.019
214 1HE LYS 30 1HE LYS 30 -13.625 3.696 -0.718
215 2HE LYS 30 2HE LYS 30 -13.390 4.611 -2.221
216 1HZ LYS 30 1HZ LYS 30 -13.309 2.540 -3.401
217 2HZ LYS 30 2HZ LYS 30 -13.527 1.686 -2.008
218 3HZ LYS 30 3HZ LYS 30 -14.722 2.674 -2.566
219 H CYS 31 H CYS 31 -7.670 2.592 -1.785
220 HA CYS 31 HA CYS 31 -4.997 2.657 -0.608
221 1HB CYS 31 1HB CYS 31 -4.530 1.350 -2.801
222 2HB CYS 31 2HB CYS 31 -5.310 0.607 -1.411
223 H HIS 32 H HIS 32 -3.197 3.466 -1.778
224 HA HIS 32 HA HIS 32 -3.871 6.160 -2.204
225 1HB HIS 32 1HB HIS 32 -1.482 6.604 -2.321
226 2HB HIS 32 2HB HIS 32 -1.982 5.679 -0.944
227 HD1 HIS 32 HD1 HIS 32 -0.109 5.296 -4.256
228 HD2 HIS 32 HD2 HIS 32 -0.694 3.314 -0.598
229 HE1 HIS 32 HE1 HIS 32 1.592 3.420 -4.168
230 HE2 HIS 32 HE2 HIS 32 1.258 2.173 -1.938
231 H SER 33 H SER 33 -2.763 7.583 -3.687
232 HA SER 33 HA SER 33 -3.911 7.546 -6.201
233 1HB SER 33 1HB SER 33 -3.099 9.545 -5.054
234 2HB SER 33 2HB SER 33 -1.427 8.999 -5.290
235 HG SER 33 HG SER 33 -2.145 10.515 -6.874
236 H ALA 34 H ALA 34 -0.724 6.431 -5.263
237 HA ALA 34 HA ALA 34 -0.079 5.581 -8.054
238 1HB ALA 34 1HB ALA 34 1.518 7.067 -6.799
239 2HB ALA 34 2HB ALA 34 1.716 5.776 -5.597
240 3HB ALA 34 3HB ALA 34 2.228 5.510 -7.275
241 H CYS 35 H CYS 35 -1.996 4.107 -6.385
242 HA CYS 35 HA CYS 35 -0.558 1.531 -6.017
243 1HB CYS 35 1HB CYS 35 -1.906 2.438 -4.072
244 2HB CYS 35 2HB CYS 35 -3.350 2.214 -5.070
245 H LYS 36 H LYS 36 -0.894 -0.022 -7.552
246 HA LYS 36 HA LYS 36 -2.851 0.514 -9.717
247 1HB LYS 36 1HB LYS 36 -0.294 -1.116 -9.586
248 2HB LYS 36 2HB LYS 36 -1.337 -0.928 -10.999
249 1HG LYS 36 1HG LYS 36 -0.996 1.589 -10.814
250 2HG LYS 36 2HG LYS 36 0.245 1.276 -9.591
251 1HD LYS 36 1HD LYS 36 0.247 0.288 -12.478
252 2HD LYS 36 2HD LYS 36 1.204 1.632 -11.832
253 1HE LYS 36 1HE LYS 36 2.413 0.075 -10.327
254 2HE LYS 36 2HE LYS 36 1.474 -1.290 -10.971
255 1HZ LYS 36 1HZ LYS 36 2.383 -0.837 -13.119
256 2HZ LYS 36 2HZ LYS 36 3.277 0.415 -12.525
257 3HZ LYS 36 3HZ LYS 36 3.576 -1.126 -12.020
258 H SER 37 H SER 37 -1.495 -2.096 -7.724
259 HA SER 37 HA SER 37 -3.934 -3.770 -8.213
260 1HB SER 37 1HB SER 37 -1.734 -4.846 -8.683
261 2HB SER 37 2HB SER 37 -1.253 -4.568 -7.008
262 HG SER 37 HG SER 37 -3.473 -6.091 -7.924
263 H CYS 38 H CYS 38 -5.324 -3.973 -6.555
264 HA CYS 38 HA CYS 38 -4.609 -3.406 -3.762
265 1HB CYS 38 1HB CYS 38 -5.019 -1.192 -4.771
266 2HB CYS 38 2HB CYS 38 -6.563 -1.745 -5.409
267 H LEU 39 H LEU 39 -6.142 -4.287 -2.331
268 HA LEU 39 HA LEU 39 -8.593 -5.478 -3.415
269 1HB LEU 39 1HB LEU 39 -6.835 -7.164 -3.863
270 2HB LEU 39 2HB LEU 39 -6.464 -7.257 -2.143
271 HG LEU 39 HG LEU 39 -9.327 -7.709 -2.887
272 1HD1 LEU 39 1HD1 LEU 39 -8.221 -8.920 -4.694
273 2HD1 LEU 39 2HD1 LEU 39 -7.133 -9.716 -3.535
274 3HD1 LEU 39 3HD1 LEU 39 -8.875 -10.064 -3.509
275 1HD2 LEU 39 1HD2 LEU 39 -9.182 -9.378 -1.124
276 2HD2 LEU 39 2HD2 LEU 39 -7.411 -9.288 -1.102
277 3HD2 LEU 39 3HD2 LEU 39 -8.373 -7.926 -0.512
278 H CYS 40 H CYS 40 -10.092 -6.016 -1.819
279 HA CYS 40 HA CYS 40 -9.468 -5.168 0.952
280 1HB CYS 40 1HB CYS 40 -12.092 -4.626 -0.465
281 2HB CYS 40 2HB CYS 40 -11.576 -4.006 1.095
282 H THR 41 H THR 41 -10.940 -5.998 2.544
283 HA THR 41 HA THR 41 -11.399 -8.835 2.041
284 HB THR 41 HB THR 41 -11.926 -8.907 4.441
285 HG1 THR 41 HG1 THR 41 -11.652 -7.003 5.652
286 1HG2 THR 41 1HG2 THR 41 -9.712 -8.357 5.283
287 2HG2 THR 41 2HG2 THR 41 -9.589 -9.107 3.679
288 3HG2 THR 41 3HG2 THR 41 -9.378 -7.349 3.857
289 H ARG 42 H ARG 42 -13.319 -9.901 2.511
290 HA ARG 42 HA ARG 42 -15.860 -8.442 2.009
291 1HB ARG 42 1HB ARG 42 -16.722 -10.818 1.754
292 2HB ARG 42 2HB ARG 42 -15.615 -10.234 0.508
293 1HG ARG 42 1HG ARG 42 -13.790 -11.491 1.375
294 2HG ARG 42 2HG ARG 42 -14.681 -11.896 2.864
295 1HD ARG 42 1HD ARG 42 -16.206 -13.328 1.593
296 2HD ARG 42 2HD ARG 42 -15.556 -12.722 0.065
297 HE ARG 42 HE ARG 42 -13.842 -14.187 0.155
298 1HH1 ARG 42 1HH1 ARG 42 -15.149 -13.938 3.450
299 2HH1 ARG 42 2HH1 ARG 42 -14.107 -15.182 4.088
300 1HH2 ARG 42 1HH2 ARG 42 -12.495 -15.815 1.002
301 2HH2 ARG 42 2HH2 ARG 42 -12.591 -16.258 2.684
302 H SER 43 H SER 43 -14.217 -8.368 4.585
303 HA SER 43 HA SER 43 -15.825 -9.806 6.508
304 1HB SER 43 1HB SER 43 -13.570 -7.796 6.821
305 2HB SER 43 2HB SER 43 -14.209 -8.847 8.082
306 HG SER 43 HG SER 43 -13.553 -10.644 6.858
307 H PHE 44 H PHE 44 -16.329 -8.367 8.537
308 HA PHE 44 HA PHE 44 -17.726 -5.872 7.812
309 1HB PHE 44 1HB PHE 44 -19.288 -6.718 9.595
310 2HB PHE 44 2HB PHE 44 -19.381 -7.425 7.983
311 HD1 PHE 44 HD1 PHE 44 -18.589 -9.748 7.556
312 HD2 PHE 44 HD2 PHE 44 -18.806 -8.099 11.539
313 HE1 PHE 44 HE1 PHE 44 -18.475 -12.030 8.514
314 HE2 PHE 44 HE2 PHE 44 -18.664 -10.382 12.486
315 HZ PHE 44 HZ PHE 44 -18.508 -12.353 10.979
316 HA PRO 45 HA PRO 45 -17.223 -3.823 8.166
317 1HB PRO 45 1HB PRO 45 -15.262 -1.960 8.396
318 2HB PRO 45 2HB PRO 45 -16.647 -2.066 9.522
319 1HG PRO 45 1HG PRO 45 -13.876 -3.242 9.911
320 2HG PRO 45 2HG PRO 45 -14.785 -2.191 11.038
321 1HD PRO 45 1HD PRO 45 -14.819 -4.901 11.288
322 2HD PRO 45 2HD PRO 45 -16.302 -3.949 11.572
323 HA PRO 46 HA PRO 46 -14.224 -5.369 5.126
324 1HB PRO 46 1HB PRO 46 -14.737 -3.779 2.988
325 2HB PRO 46 2HB PRO 46 -15.931 -4.962 3.596
326 1HG PRO 46 1HG PRO 46 -15.817 -1.993 4.205
327 2HG PRO 46 2HG PRO 46 -17.228 -2.944 3.663
328 1HD PRO 46 1HD PRO 46 -16.772 -2.383 6.301
329 2HD PRO 46 2HD PRO 46 -17.485 -3.941 5.785
330 H GLN 47 H GLN 47 -12.049 -4.976 4.991
331 HA GLN 47 HA GLN 47 -11.002 -2.212 5.399
332 1HB GLN 47 1HB GLN 47 -10.022 -4.946 6.343
333 2HB GLN 47 2HB GLN 47 -9.127 -3.440 6.493
334 1HG GLN 47 1HG GLN 47 -11.820 -4.063 7.785
335 2HG GLN 47 2HG GLN 47 -10.258 -4.025 8.604
336 1HE2 GLN 47 1HE2 GLN 47 -9.005 -1.769 7.924
337 2HE2 GLN 47 2HE2 GLN 47 -9.979 -0.357 8.276
338 H CYS 48 H CYS 48 -9.430 -1.533 3.991
339 HA CYS 48 HA CYS 48 -8.912 -3.274 1.641
340 1HB CYS 48 1HB CYS 48 -9.163 -0.326 2.072
341 2HB CYS 48 2HB CYS 48 -8.482 -0.992 0.590
342 H ARG 49 H ARG 49 -6.910 -3.148 0.575
343 HA ARG 49 HA ARG 49 -4.601 -1.955 1.937
344 1HB ARG 49 1HB ARG 49 -4.855 -4.003 3.122
345 2HB ARG 49 2HB ARG 49 -5.001 -4.940 1.630
346 1HG ARG 49 1HG ARG 49 -2.471 -3.377 2.197
347 2HG ARG 49 2HG ARG 49 -2.777 -4.873 3.082
348 1HD ARG 49 1HD ARG 49 -2.491 -4.603 0.075
349 2HD ARG 49 2HD ARG 49 -1.362 -5.319 1.202
350 HE ARG 49 HE ARG 49 -2.803 -7.153 1.597
351 1HH1 ARG 49 1HH1 ARG 49 -4.067 -5.052 -1.002
352 2HH1 ARG 49 2HH1 ARG 49 -4.801 -6.375 -1.854
353 1HH2 ARG 49 1HH2 ARG 49 -3.962 -8.811 0.561
354 2HH2 ARG 49 2HH2 ARG 49 -4.860 -8.486 -0.899
355 H CYS 50 H CYS 50 -2.893 -1.737 0.657
356 HA CYS 50 HA CYS 50 -3.440 -1.767 -2.269
357 1HB CYS 50 1HB CYS 50 -2.781 0.391 -1.341
358 2HB CYS 50 2HB CYS 50 -1.360 -0.327 -0.572
359 H TYR 51 H TYR 51 -2.518 -3.312 -3.526
360 HA TYR 51 HA TYR 51 -0.397 -5.025 -2.357
361 1HB TYR 51 1HB TYR 51 -2.903 -5.657 -3.289
362 2HB TYR 51 2HB TYR 51 -1.995 -5.873 -4.751
363 HD1 TYR 51 HD1 TYR 51 -3.568 -7.972 -3.262
364 HD2 TYR 51 HD2 TYR 51 0.625 -6.935 -3.130
365 HE1 TYR 51 HE1 TYR 51 -3.024 -10.230 -2.411
366 HE2 TYR 51 HE2 TYR 51 1.154 -9.189 -2.310
367 HH TYR 51 HH TYR 51 -1.366 -11.659 -1.691
368 H ASP 52 H ASP 52 -0.134 -2.392 -3.965
369 HA ASP 52 HA ASP 52 0.650 -2.937 -6.598
370 1HB ASP 52 1HB ASP 52 0.072 -0.721 -5.687
371 2HB ASP 52 2HB ASP 52 1.551 -0.718 -4.710
372 HD2 ASP 52 HD2 ASP 52 3.056 1.006 -7.304
373 H ILE 53 H ILE 53 2.712 -3.044 -7.587
374 HA ILE 53 HA ILE 53 4.880 -4.192 -5.884
375 HB ILE 53 HB ILE 53 4.560 -4.439 -8.890
376 1HG1 ILE 53 1HG1 ILE 53 2.634 -5.559 -7.989
377 2HG1 ILE 53 2HG1 ILE 53 3.810 -6.751 -8.530
378 1HG2 ILE 53 1HG2 ILE 53 6.322 -5.865 -6.847
379 2HG2 ILE 53 2HG2 ILE 53 6.194 -6.311 -8.559
380 3HG2 ILE 53 3HG2 ILE 53 6.851 -4.739 -8.099
381 1HD1 ILE 53 1HD1 ILE 53 2.808 -7.433 -6.414
382 2HD1 ILE 53 2HD1 ILE 53 4.535 -7.105 -6.169
383 3HD1 ILE 53 3HD1 ILE 53 3.311 -5.928 -5.636
384 H THR 54 H THR 54 6.625 -3.002 -5.637
385 HA THR 54 HA THR 54 7.319 -0.844 -7.538
386 HB THR 54 HB THR 54 7.742 0.674 -5.645
387 HG1 THR 54 HG1 THR 54 6.693 -1.451 -4.094
388 1HG2 THR 54 1HG2 THR 54 4.902 -0.415 -5.430
389 2HG2 THR 54 2HG2 THR 54 5.462 1.205 -4.990
390 3HG2 THR 54 3HG2 THR 54 5.465 0.704 -6.694
391 H ASP 55 H ASP 55 9.540 0.098 -6.342
392 HA ASP 55 HA ASP 55 11.293 -2.196 -5.595
393 1HB ASP 55 1HB ASP 55 11.781 0.170 -7.458
394 2HB ASP 55 2HB ASP 55 13.014 -0.940 -6.868
395 HD2 ASP 55 HD2 ASP 55 11.862 -3.663 -8.861
396 H PHE 56 H PHE 56 9.743 0.340 -4.368
397 HA PHE 56 HA PHE 56 11.879 1.295 -2.557
398 1HB PHE 56 1HB PHE 56 11.042 3.653 -3.156
399 2HB PHE 56 2HB PHE 56 12.025 2.834 -4.338
400 HD1 PHE 56 HD1 PHE 56 11.220 2.506 -6.574
401 HD2 PHE 56 HD2 PHE 56 8.453 3.602 -3.446
402 HE1 PHE 56 HE1 PHE 56 9.415 2.767 -8.252
403 HE2 PHE 56 HE2 PHE 56 6.652 3.802 -5.126
404 HZ PHE 56 HZ PHE 56 7.126 3.422 -7.531
405 H CYS 57 H CYS 57 10.656 3.136 -1.209
406 HA CYS 57 HA CYS 57 7.932 2.232 -0.414
407 1HB CYS 57 1HB CYS 57 9.449 1.213 1.156
408 2HB CYS 57 2HB CYS 57 10.274 2.757 1.438
409 H TYR 58 H TYR 58 6.624 3.851 0.250
410 HA TYR 58 HA TYR 58 7.376 6.642 -0.375
411 1HB TYR 58 1HB TYR 58 4.754 5.210 0.261
412 2HB TYR 58 2HB TYR 58 4.893 6.935 0.042
413 HD1 TYR 58 HD1 TYR 58 4.335 3.848 -1.683
414 HD2 TYR 58 HD2 TYR 58 5.882 7.845 -2.162
415 HE1 TYR 58 HE1 TYR 58 4.002 3.692 -4.137
416 HE2 TYR 58 HE2 TYR 58 5.547 7.683 -4.608
417 HH TYR 58 HH TYR 58 4.859 6.367 -6.358
418 HA PRO 59 HA PRO 59 7.633 7.679 3.992
419 1HB PRO 59 1HB PRO 59 6.243 10.067 4.188
420 2HB PRO 59 2HB PRO 59 7.891 9.916 3.516
421 1HG PRO 59 1HG PRO 59 5.268 9.971 2.003
422 2HG PRO 59 2HG PRO 59 6.750 10.916 1.665
423 1HD PRO 59 1HD PRO 59 6.216 8.671 0.289
424 2HD PRO 59 2HD PRO 59 7.883 8.978 0.842
425 H SER 60 H SER 60 6.280 7.963 5.947
426 HA SER 60 HA SER 60 4.298 6.069 6.137
427 1HB SER 60 1HB SER 60 3.822 7.570 8.313
428 2HB SER 60 2HB SER 60 5.199 6.482 8.136
429 HG SER 60 HG SER 60 5.788 8.607 8.846
430 H CYS 61 H CYS 61 2.177 6.037 6.177
431 HA CYS 61 HA CYS 61 0.692 8.373 5.101
432 1HB CYS 61 1HB CYS 61 0.679 5.745 4.303
433 2HB CYS 61 2HB CYS 61 -0.713 5.757 5.348
434 H SER 62 H SER 62 -1.695 8.268 5.826
435 HA SER 62 HA SER 62 -1.881 8.077 8.802
436 1HB SER 62 1HB SER 62 -1.374 10.403 8.119
437 2HB SER 62 2HB SER 62 -2.780 10.393 7.034
438 HG SER 62 HG SER 62 -3.198 11.324 9.098
Start of MODEL 5
1 1H THR 1 1H THR 1 -8.047 20.669 5.899
2 2H THR 1 2H THR 1 -7.384 20.857 4.399
3 3H THR 1 3H THR 1 -6.523 20.111 5.589
4 HA THR 1 HA THR 1 -7.359 22.913 5.584
5 HB THR 1 HB THR 1 -5.818 23.125 7.517
6 HG1 THR 1 HG1 THR 1 -6.031 20.325 7.823
7 1HG2 THR 1 1HG2 THR 1 -8.266 22.969 7.859
8 2HG2 THR 1 2HG2 THR 1 -8.140 21.199 7.986
9 3HG2 THR 1 3HG2 THR 1 -7.357 22.235 9.193
10 H LYS 2 H LYS 2 -4.278 21.200 6.085
11 HA LYS 2 HA LYS 2 -2.841 22.872 4.158
12 1HB LYS 2 1HB LYS 2 -2.105 20.466 5.873
13 2HB LYS 2 2HB LYS 2 -0.937 21.313 4.875
14 1HG LYS 2 1HG LYS 2 -2.532 22.570 7.151
15 2HG LYS 2 2HG LYS 2 -0.878 21.992 7.260
16 1HD LYS 2 1HD LYS 2 -1.901 24.346 5.611
17 2HD LYS 2 2HD LYS 2 -0.862 24.388 7.028
18 1HE LYS 2 1HE LYS 2 -0.128 23.357 4.253
19 2HE LYS 2 2HE LYS 2 0.491 24.789 5.078
20 1HZ LYS 2 1HZ LYS 2 1.467 23.342 6.725
21 2HZ LYS 2 2HZ LYS 2 0.934 22.011 5.911
22 3HZ LYS 2 3HZ LYS 2 2.040 23.013 5.215
23 H SER 3 H SER 3 -1.157 21.174 2.876
24 HA SER 3 HA SER 3 -2.524 20.468 0.593
25 1HB SER 3 1HB SER 3 0.105 19.281 1.572
26 2HB SER 3 2HB SER 3 -0.440 19.438 -0.112
27 HG SER 3 HG SER 3 0.947 21.137 0.449
28 H THR 4 H THR 4 -2.854 18.430 -0.463
29 HA THR 4 HA THR 4 -4.429 16.684 1.104
30 HB THR 4 HB THR 4 -4.785 17.261 -1.293
31 HG1 THR 4 HG1 THR 4 -5.801 15.469 -0.408
32 1HG2 THR 4 1HG2 THR 4 -2.566 15.240 -1.872
33 2HG2 THR 4 2HG2 THR 4 -3.587 16.077 -3.050
34 3HG2 THR 4 3HG2 THR 4 -2.415 16.997 -2.091
35 H THR 5 H THR 5 -4.254 14.305 1.091
36 HA THR 5 HA THR 5 -1.641 13.367 2.037
37 HB THR 5 HB THR 5 -3.432 12.654 3.349
38 HG1 THR 5 HG1 THR 5 -2.658 10.539 1.636
39 1HG2 THR 5 1HG2 THR 5 -5.386 12.895 1.885
40 2HG2 THR 5 2HG2 THR 5 -4.856 11.511 0.906
41 3HG2 THR 5 3HG2 THR 5 -5.312 11.282 2.601
42 H THR 6 H THR 6 -0.461 13.684 0.133
43 HA THR 6 HA THR 6 -0.894 12.408 -2.381
44 HB THR 6 HB THR 6 1.541 12.745 -2.634
45 HG1 THR 6 HG1 THR 6 2.127 12.339 -0.456
46 1HG2 THR 6 1HG2 THR 6 1.567 15.170 -2.474
47 2HG2 THR 6 2HG2 THR 6 -0.018 14.629 -3.061
48 3HG2 THR 6 3HG2 THR 6 0.177 15.164 -1.377
49 H ALA 7 H ALA 7 0.734 10.718 -3.173
50 HA ALA 7 HA ALA 7 0.158 8.201 -2.176
51 1HB ALA 7 1HB ALA 7 2.607 9.109 -3.720
52 2HB ALA 7 2HB ALA 7 2.110 7.421 -3.492
53 3HB ALA 7 3HB ALA 7 1.064 8.538 -4.390
54 H CYS 8 H CYS 8 0.437 7.480 -0.199
55 HA CYS 8 HA CYS 8 3.097 7.724 1.155
56 1HB CYS 8 1HB CYS 8 2.029 8.045 3.242
57 2HB CYS 8 2HB CYS 8 1.424 9.283 2.201
58 H CYS 9 H CYS 9 2.830 6.221 3.169
59 HA CYS 9 HA CYS 9 1.258 3.873 3.097
60 1HB CYS 9 1HB CYS 9 2.745 3.284 1.185
61 2HB CYS 9 2HB CYS 9 4.158 3.509 2.210
62 H ASP 10 H ASP 10 1.814 2.510 5.030
63 HA ASP 10 HA ASP 10 3.339 4.055 7.078
64 1HB ASP 10 1HB ASP 10 1.122 1.975 7.216
65 2HB ASP 10 2HB ASP 10 1.992 2.607 8.612
66 HD2 ASP 10 HD2 ASP 10 0.370 5.720 8.563
67 H PHE 11 H PHE 11 2.568 0.628 6.220
68 HA PHE 11 HA PHE 11 5.305 -0.189 7.078
69 1HB PHE 11 1HB PHE 11 2.768 -1.817 6.956
70 2HB PHE 11 2HB PHE 11 4.301 -2.278 7.688
71 HD1 PHE 11 HD1 PHE 11 1.209 -1.880 8.737
72 HD2 PHE 11 HD2 PHE 11 4.989 0.124 9.330
73 HE1 PHE 11 HE1 PHE 11 0.363 -0.888 10.839
74 HE2 PHE 11 HE2 PHE 11 4.132 1.111 11.422
75 HZ PHE 11 HZ PHE 11 1.811 0.631 12.174
76 H CYS 12 H CYS 12 6.565 -0.587 5.406
77 HA CYS 12 HA CYS 12 5.474 -1.758 2.912
78 1HB CYS 12 1HB CYS 12 6.998 -0.301 1.685
79 2HB CYS 12 2HB CYS 12 5.657 0.508 2.475
80 HA PRO 13 HA PRO 13 9.135 -4.291 4.115
81 1HB PRO 13 1HB PRO 13 8.029 -6.761 3.743
82 2HB PRO 13 2HB PRO 13 7.831 -5.828 5.254
83 1HG PRO 13 1HG PRO 13 5.909 -5.974 2.915
84 2HG PRO 13 2HG PRO 13 5.543 -6.221 4.651
85 1HD PRO 13 1HD PRO 13 5.121 -3.843 3.432
86 2HD PRO 13 2HD PRO 13 5.757 -3.895 5.103
87 H CYS 14 H CYS 14 10.348 -5.711 2.687
88 HA CYS 14 HA CYS 14 9.562 -5.685 -0.157
89 1HB CYS 14 1HB CYS 14 12.326 -5.015 0.910
90 2HB CYS 14 2HB CYS 14 11.817 -5.004 -0.772
91 H THR 15 H THR 15 10.697 -7.238 -1.412
92 HA THR 15 HA THR 15 10.927 -9.795 -0.010
93 HB THR 15 HB THR 15 10.987 -10.678 -2.331
94 HG1 THR 15 HG1 THR 15 10.822 -7.934 -3.017
95 1HG2 THR 15 1HG2 THR 15 8.777 -10.232 -1.271
96 2HG2 THR 15 2HG2 THR 15 8.778 -8.600 -1.979
97 3HG2 THR 15 3HG2 THR 15 8.747 -10.026 -3.032
98 H ARG 16 H ARG 16 12.664 -11.292 -0.667
99 HA ARG 16 HA ARG 16 15.338 -9.968 -0.788
100 1HB ARG 16 1HB ARG 16 16.153 -11.967 0.337
101 2HB ARG 16 2HB ARG 16 14.949 -11.083 1.289
102 1HG ARG 16 1HG ARG 16 13.220 -12.725 0.696
103 2HG ARG 16 2HG ARG 16 14.365 -13.596 -0.344
104 1HD ARG 16 1HD ARG 16 15.763 -14.153 1.560
105 2HD ARG 16 2HD ARG 16 14.803 -13.147 2.646
106 HE ARG 16 HE ARG 16 14.226 -15.841 1.709
107 1HH1 ARG 16 1HH1 ARG 16 12.712 -12.878 2.960
108 2HH1 ARG 16 2HH1 ARG 16 11.337 -13.715 3.629
109 1HH2 ARG 16 1HH2 ARG 16 12.410 -16.921 2.590
110 2HH2 ARG 16 2HH2 ARG 16 11.161 -16.020 3.409
111 H SER 17 H SER 17 13.256 -11.322 -2.871
112 HA SER 17 HA SER 17 14.931 -13.199 -4.303
113 1HB SER 17 1HB SER 17 13.056 -12.727 -6.049
114 2HB SER 17 2HB SER 17 12.634 -13.531 -4.542
115 HG SER 17 HG SER 17 11.234 -11.771 -5.129
116 H ILE 18 H ILE 18 15.129 -12.678 -6.733
117 HA ILE 18 HA ILE 18 16.473 -10.052 -7.067
118 HB ILE 18 HB ILE 18 18.041 -11.835 -6.628
119 1HG1 ILE 18 1HG1 ILE 18 19.444 -11.601 -8.746
120 2HG1 ILE 18 2HG1 ILE 18 18.117 -10.657 -9.437
121 1HG2 ILE 18 1HG2 ILE 18 17.265 -13.186 -9.229
122 2HG2 ILE 18 2HG2 ILE 18 18.467 -13.686 -8.040
123 3HG2 ILE 18 3HG2 ILE 18 16.752 -13.753 -7.623
124 1HD1 ILE 18 1HD1 ILE 18 19.918 -9.259 -8.440
125 2HD1 ILE 18 2HD1 ILE 18 18.387 -8.989 -7.598
126 3HD1 ILE 18 3HD1 ILE 18 19.638 -10.010 -6.859
127 HA PRO 19 HA PRO 19 16.262 -8.261 -8.242
128 1HB PRO 19 1HB PRO 19 14.461 -6.453 -9.107
129 2HB PRO 19 2HB PRO 19 15.722 -7.134 -10.176
130 1HG PRO 19 1HG PRO 19 12.840 -8.051 -9.916
131 2HG PRO 19 2HG PRO 19 13.725 -7.644 -11.416
132 1HD PRO 19 1HD PRO 19 13.499 -10.216 -10.537
133 2HD PRO 19 2HD PRO 19 15.010 -9.640 -11.296
134 HA PRO 20 HA PRO 20 13.281 -8.355 -4.815
135 1HB PRO 20 1HB PRO 20 14.147 -6.311 -3.265
136 2HB PRO 20 2HB PRO 20 15.126 -7.783 -3.520
137 1HG PRO 20 1HG PRO 20 15.374 -5.132 -4.972
138 2HG PRO 20 2HG PRO 20 16.677 -6.089 -4.214
139 1HD PRO 20 1HD PRO 20 16.095 -6.232 -6.898
140 2HD PRO 20 2HD PRO 20 16.673 -7.652 -5.973
141 H GLN 21 H GLN 21 11.240 -7.530 -4.613
142 HA GLN 21 HA GLN 21 10.558 -4.838 -5.676
143 1HB GLN 21 1HB GLN 21 8.215 -5.863 -5.331
144 2HB GLN 21 2HB GLN 21 9.117 -6.141 -6.837
145 1HG GLN 21 1HG GLN 21 9.030 -8.138 -4.554
146 2HG GLN 21 2HG GLN 21 7.794 -8.065 -5.807
147 1HE2 GLN 21 1HE2 GLN 21 10.833 -9.408 -5.052
148 2HE2 GLN 21 2HE2 GLN 21 11.318 -9.857 -6.677
149 H CYS 22 H CYS 22 9.314 -3.511 -4.400
150 HA CYS 22 HA CYS 22 8.950 -4.192 -1.520
151 1HB CYS 22 1HB CYS 22 9.366 -1.529 -2.863
152 2HB CYS 22 2HB CYS 22 8.920 -1.731 -1.172
153 H GLN 23 H GLN 23 6.985 -3.714 -0.616
154 HA GLN 23 HA GLN 23 4.775 -2.614 -2.189
155 1HB GLN 23 1HB GLN 23 3.469 -4.696 -1.775
156 2HB GLN 23 2HB GLN 23 4.746 -4.889 -2.989
157 1HG GLN 23 1HG GLN 23 6.190 -5.987 -1.298
158 2HG GLN 23 2HG GLN 23 4.928 -5.779 -0.070
159 1HE2 GLN 23 1HE2 GLN 23 6.050 -8.281 -0.735
160 2HE2 GLN 23 2HE2 GLN 23 4.809 -9.263 -1.486
161 H CYS 24 H CYS 24 2.734 -2.706 -0.741
162 HA CYS 24 HA CYS 24 3.559 -2.086 2.059
163 1HB CYS 24 1HB CYS 24 1.243 -1.095 0.441
164 2HB CYS 24 2HB CYS 24 1.460 -0.796 2.158
165 H THR 25 H THR 25 2.578 -2.909 3.739
166 HA THR 25 HA THR 25 0.757 -5.236 3.328
167 HB THR 25 HB THR 25 2.962 -5.789 4.196
168 HG1 THR 25 HG1 THR 25 2.148 -6.895 6.030
169 1HG2 THR 25 1HG2 THR 25 3.636 -5.097 6.427
170 2HG2 THR 25 2HG2 THR 25 3.406 -3.664 5.420
171 3HG2 THR 25 3HG2 THR 25 2.168 -4.111 6.610
172 H ASP 26 H ASP 26 1.149 -2.081 4.895
173 HA ASP 26 HA ASP 26 -0.688 -2.385 6.976
174 1HB ASP 26 1HB ASP 26 0.768 -0.450 6.825
175 2HB ASP 26 2HB ASP 26 -0.078 0.103 5.361
176 HD2 ASP 26 HD2 ASP 26 -2.053 0.328 8.920
177 H VAL 27 H VAL 27 -2.741 -1.910 7.237
178 HA VAL 27 HA VAL 27 -4.527 -2.215 4.859
179 HB VAL 27 HB VAL 27 -5.072 -3.206 7.680
180 1HG1 VAL 27 1HG1 VAL 27 -6.232 -4.025 4.980
181 2HG1 VAL 27 2HG1 VAL 27 -6.762 -4.582 6.579
182 3HG1 VAL 27 3HG1 VAL 27 -7.000 -2.893 6.103
183 1HG2 VAL 27 1HG2 VAL 27 -3.838 -4.740 5.353
184 2HG2 VAL 27 2HG2 VAL 27 -3.095 -4.441 6.941
185 3HG2 VAL 27 3HG2 VAL 27 -4.512 -5.485 6.814
186 H ARG 28 H ARG 28 -6.199 -0.760 4.671
187 HA ARG 28 HA ARG 28 -7.082 0.980 6.807
188 1HB ARG 28 1HB ARG 28 -4.697 1.802 5.802
189 2HB ARG 28 2HB ARG 28 -5.718 2.434 4.533
190 1HG ARG 28 1HG ARG 28 -5.508 4.219 6.055
191 2HG ARG 28 2HG ARG 28 -7.087 3.552 6.479
192 1HD ARG 28 1HD ARG 28 -5.905 4.009 8.497
193 2HD ARG 28 2HD ARG 28 -5.981 2.247 8.332
194 HE ARG 28 HE ARG 28 -3.564 3.156 7.147
195 1HH1 ARG 28 1HH1 ARG 28 -5.057 2.854 10.346
196 2HH1 ARG 28 2HH1 ARG 28 -3.534 2.864 11.200
197 1HH2 ARG 28 1HH2 ARG 28 -1.584 3.186 8.264
198 2HH2 ARG 28 2HH2 ARG 28 -1.538 3.082 10.010
199 H GLU 29 H GLU 29 -7.855 3.049 4.775
200 HA GLU 29 HA GLU 29 -10.181 1.689 3.646
201 1HB GLU 29 1HB GLU 29 -9.934 4.111 4.738
202 2HB GLU 29 2HB GLU 29 -9.450 4.570 3.105
203 1HG GLU 29 1HG GLU 29 -11.658 3.261 2.411
204 2HG GLU 29 2HG GLU 29 -12.061 3.377 4.121
205 HE2 GLU 29 HE2 GLU 29 -12.431 6.920 4.025
206 H LYS 30 H LYS 30 -10.111 3.584 1.257
207 HA LYS 30 HA LYS 30 -9.098 1.735 -0.610
208 1HB LYS 30 1HB LYS 30 -9.601 4.689 -1.031
209 2HB LYS 30 2HB LYS 30 -9.560 3.434 -2.266
210 1HG LYS 30 1HG LYS 30 -11.512 2.305 -1.156
211 2HG LYS 30 2HG LYS 30 -11.679 3.703 -0.085
212 1HD LYS 30 1HD LYS 30 -11.839 3.774 -3.129
213 2HD LYS 30 2HD LYS 30 -13.214 3.783 -2.013
214 1HE LYS 30 1HE LYS 30 -12.355 5.923 -1.013
215 2HE LYS 30 2HE LYS 30 -11.076 5.950 -2.245
216 1HZ LYS 30 1HZ LYS 30 -12.760 6.025 -3.920
217 2HZ LYS 30 2HZ LYS 30 -13.956 5.993 -2.786
218 3HZ LYS 30 3HZ LYS 30 -12.932 7.280 -2.870
219 H CYS 31 H CYS 31 -7.439 2.127 -2.233
220 HA CYS 31 HA CYS 31 -4.955 2.555 -0.848
221 1HB CYS 31 1HB CYS 31 -5.484 1.770 -3.729
222 2HB CYS 31 2HB CYS 31 -3.984 1.621 -2.831
223 H HIS 32 H HIS 32 -3.118 3.707 -1.931
224 HA HIS 32 HA HIS 32 -3.938 6.457 -2.322
225 1HB HIS 32 1HB HIS 32 -1.591 6.986 -2.216
226 2HB HIS 32 2HB HIS 32 -2.207 6.138 -0.840
227 HD1 HIS 32 HD1 HIS 32 0.346 5.853 -3.602
228 HD2 HIS 32 HD2 HIS 32 -1.180 3.617 -0.384
229 HE1 HIS 32 HE1 HIS 32 1.959 3.917 -3.208
230 HE2 HIS 32 HE2 HIS 32 1.049 2.537 -1.242
231 H SER 33 H SER 33 -2.598 7.764 -3.854
232 HA SER 33 HA SER 33 -3.559 7.405 -6.433
233 1HB SER 33 1HB SER 33 -2.886 9.551 -5.435
234 2HB SER 33 2HB SER 33 -1.188 9.055 -5.570
235 HG SER 33 HG SER 33 -1.914 10.360 -7.328
236 H ALA 34 H ALA 34 -0.616 6.149 -5.067
237 HA ALA 34 HA ALA 34 0.376 5.237 -7.742
238 1HB ALA 34 1HB ALA 34 2.573 5.105 -6.728
239 2HB ALA 34 2HB ALA 34 1.914 6.742 -6.542
240 3HB ALA 34 3HB ALA 34 1.925 5.628 -5.159
241 H CYS 35 H CYS 35 -1.767 3.920 -6.693
242 HA CYS 35 HA CYS 35 -0.510 1.255 -6.438
243 1HB CYS 35 1HB CYS 35 -3.031 2.172 -5.018
244 2HB CYS 35 2HB CYS 35 -2.569 0.479 -5.213
245 H LYS 36 H LYS 36 -1.133 -0.068 -8.050
246 HA LYS 36 HA LYS 36 -3.111 0.888 -10.035
247 1HB LYS 36 1HB LYS 36 -0.847 -1.158 -10.112
248 2HB LYS 36 2HB LYS 36 -1.957 -0.796 -11.430
249 1HG LYS 36 1HG LYS 36 -1.158 1.574 -11.453
250 2HG LYS 36 2HG LYS 36 -0.059 1.205 -10.116
251 1HD LYS 36 1HD LYS 36 1.190 1.215 -12.166
252 2HD LYS 36 2HD LYS 36 1.143 -0.438 -11.531
253 1HE LYS 36 1HE LYS 36 -0.577 -1.060 -13.178
254 2HE LYS 36 2HE LYS 36 -0.712 0.625 -13.719
255 1HZ LYS 36 1HZ LYS 36 0.620 -0.696 -15.175
256 2HZ LYS 36 2HZ LYS 36 1.537 0.488 -14.488
257 3HZ LYS 36 3HZ LYS 36 1.672 -1.070 -13.963
258 H SER 37 H SER 37 -2.092 -1.913 -8.121
259 HA SER 37 HA SER 37 -4.769 -3.194 -8.483
260 1HB SER 37 1HB SER 37 -2.771 -4.563 -9.084
261 2HB SER 37 2HB SER 37 -2.204 -4.432 -7.414
262 HG SER 37 HG SER 37 -4.259 -5.387 -6.819
263 H CYS 38 H CYS 38 -6.086 -3.180 -6.797
264 HA CYS 38 HA CYS 38 -5.153 -2.645 -4.035
265 1HB CYS 38 1HB CYS 38 -5.821 -0.498 -5.103
266 2HB CYS 38 2HB CYS 38 -7.409 -1.187 -5.468
267 H LEU 39 H LEU 39 -6.243 -3.908 -2.617
268 HA LEU 39 HA LEU 39 -8.554 -5.538 -3.550
269 1HB LEU 39 1HB LEU 39 -5.853 -6.419 -3.467
270 2HB LEU 39 2HB LEU 39 -6.560 -7.061 -2.000
271 HG LEU 39 HG LEU 39 -6.653 -8.670 -3.759
272 1HD1 LEU 39 1HD1 LEU 39 -8.592 -8.564 -2.170
273 2HD1 LEU 39 2HD1 LEU 39 -9.506 -7.670 -3.411
274 3HD1 LEU 39 3HD1 LEU 39 -8.959 -9.322 -3.730
275 1HD2 LEU 39 1HD2 LEU 39 -8.323 -6.752 -5.438
276 2HD2 LEU 39 2HD2 LEU 39 -6.604 -7.116 -5.695
277 3HD2 LEU 39 3HD2 LEU 39 -7.818 -8.397 -5.859
278 H CYS 40 H CYS 40 -9.853 -6.350 -1.887
279 HA CYS 40 HA CYS 40 -9.271 -5.438 0.869
280 1HB CYS 40 1HB CYS 40 -11.984 -5.142 -0.446
281 2HB CYS 40 2HB CYS 40 -11.462 -4.471 1.089
282 H THR 41 H THR 41 -10.607 -6.447 2.482
283 HA THR 41 HA THR 41 -11.135 -9.284 1.771
284 HB THR 41 HB THR 41 -9.763 -8.909 3.738
285 HG1 THR 41 HG1 THR 41 -11.331 -10.095 5.169
286 1HG2 THR 41 1HG2 THR 41 -10.632 -6.797 4.610
287 2HG2 THR 41 2HG2 THR 41 -12.218 -7.532 4.926
288 3HG2 THR 41 3HG2 THR 41 -10.787 -8.062 5.830
289 H ARG 42 H ARG 42 -13.098 -10.310 2.358
290 HA ARG 42 HA ARG 42 -15.510 -8.638 2.074
291 1HB ARG 42 1HB ARG 42 -15.112 -11.663 2.051
292 2HB ARG 42 2HB ARG 42 -16.603 -10.778 1.670
293 1HG ARG 42 1HG ARG 42 -15.341 -9.587 -0.152
294 2HG ARG 42 2HG ARG 42 -13.981 -10.698 0.136
295 1HD ARG 42 1HD ARG 42 -15.416 -12.631 -0.373
296 2HD ARG 42 2HD ARG 42 -16.814 -11.554 -0.600
297 HE ARG 42 HE ARG 42 -14.706 -10.705 -2.308
298 1HH1 ARG 42 1HH1 ARG 42 -17.019 -13.375 -1.974
299 2HH1 ARG 42 2HH1 ARG 42 -17.075 -13.714 -3.685
300 1HH2 ARG 42 1HH2 ARG 42 -14.784 -11.155 -4.552
301 2HH2 ARG 42 2HH2 ARG 42 -15.793 -12.442 -5.160
302 H SER 43 H SER 43 -13.630 -9.360 4.637
303 HA SER 43 HA SER 43 -15.412 -10.417 6.552
304 1HB SER 43 1HB SER 43 -13.112 -8.474 6.994
305 2HB SER 43 2HB SER 43 -13.777 -9.633 8.148
306 HG SER 43 HG SER 43 -13.117 -11.304 6.697
307 H PHE 44 H PHE 44 -15.856 -8.927 8.599
308 HA PHE 44 HA PHE 44 -17.048 -6.330 7.745
309 1HB PHE 44 1HB PHE 44 -18.770 -8.026 8.119
310 2HB PHE 44 2HB PHE 44 -18.185 -8.269 9.763
311 HD1 PHE 44 HD1 PHE 44 -18.705 -6.641 11.522
312 HD2 PHE 44 HD2 PHE 44 -19.801 -5.865 7.423
313 HE1 PHE 44 HE1 PHE 44 -20.107 -4.732 12.254
314 HE2 PHE 44 HE2 PHE 44 -21.203 -3.958 8.163
315 HZ PHE 44 HZ PHE 44 -21.354 -3.385 10.577
316 HA PRO 45 HA PRO 45 -16.695 -4.227 8.209
317 1HB PRO 45 1HB PRO 45 -14.686 -2.389 8.258
318 2HB PRO 45 2HB PRO 45 -15.960 -2.490 9.509
319 1HG PRO 45 1HG PRO 45 -13.184 -3.715 9.619
320 2HG PRO 45 2HG PRO 45 -13.967 -2.668 10.844
321 1HD PRO 45 1HD PRO 45 -14.018 -5.375 11.061
322 2HD PRO 45 2HD PRO 45 -15.462 -4.410 11.486
323 HA PRO 46 HA PRO 46 -14.026 -5.868 4.892
324 1HB PRO 46 1HB PRO 46 -14.982 -4.503 2.746
325 2HB PRO 46 2HB PRO 46 -15.934 -5.759 3.585
326 1HG PRO 46 1HG PRO 46 -16.129 -2.756 3.939
327 2HG PRO 46 2HG PRO 46 -17.454 -3.929 3.720
328 1HD PRO 46 1HD PRO 46 -16.662 -3.010 6.189
329 2HD PRO 46 2HD PRO 46 -17.299 -4.664 5.940
330 H GLN 47 H GLN 47 -11.937 -5.213 5.238
331 HA GLN 47 HA GLN 47 -11.253 -2.328 5.015
332 1HB GLN 47 1HB GLN 47 -10.894 -3.980 7.137
333 2HB GLN 47 2HB GLN 47 -9.408 -4.333 6.259
334 1HG GLN 47 1HG GLN 47 -8.982 -2.539 7.832
335 2HG GLN 47 2HG GLN 47 -8.928 -1.858 6.202
336 1HE2 GLN 47 1HE2 GLN 47 -11.427 -2.519 8.745
337 2HE2 GLN 47 2HE2 GLN 47 -12.195 -0.950 8.613
338 H CYS 48 H CYS 48 -9.372 -1.691 3.852
339 HA CYS 48 HA CYS 48 -8.843 -3.493 1.551
340 1HB CYS 48 1HB CYS 48 -9.265 -0.533 1.859
341 2HB CYS 48 2HB CYS 48 -8.634 -1.247 0.374
342 H ARG 49 H ARG 49 -6.884 -3.145 0.350
343 HA ARG 49 HA ARG 49 -4.542 -2.019 1.737
344 1HB ARG 49 1HB ARG 49 -5.038 -4.339 2.648
345 2HB ARG 49 2HB ARG 49 -4.695 -4.944 1.023
346 1HG ARG 49 1HG ARG 49 -2.406 -3.464 1.528
347 2HG ARG 49 2HG ARG 49 -2.924 -3.829 3.175
348 1HD ARG 49 1HD ARG 49 -1.396 -5.497 2.479
349 2HD ARG 49 2HD ARG 49 -2.987 -6.254 2.566
350 HE ARG 49 HE ARG 49 -1.459 -5.400 0.116
351 1HH1 ARG 49 1HH1 ARG 49 -4.230 -7.266 1.378
352 2HH1 ARG 49 2HH1 ARG 49 -4.456 -8.128 -0.119
353 1HH2 ARG 49 1HH2 ARG 49 -1.766 -6.566 -1.773
354 2HH2 ARG 49 2HH2 ARG 49 -3.057 -7.730 -1.918
355 H CYS 50 H CYS 50 -2.803 -1.853 0.375
356 HA CYS 50 HA CYS 50 -3.332 -1.774 -2.535
357 1HB CYS 50 1HB CYS 50 -2.284 0.131 -1.423
358 2HB CYS 50 2HB CYS 50 -0.976 -0.897 -0.844
359 H TYR 51 H TYR 51 -2.493 -3.095 -4.028
360 HA TYR 51 HA TYR 51 -0.739 -5.332 -3.148
361 1HB TYR 51 1HB TYR 51 -3.290 -5.706 -3.656
362 2HB TYR 51 2HB TYR 51 -2.843 -5.465 -5.323
363 HD1 TYR 51 HD1 TYR 51 -4.228 -7.753 -4.989
364 HD2 TYR 51 HD2 TYR 51 -0.047 -7.231 -4.013
365 HE1 TYR 51 HE1 TYR 51 -3.888 -10.205 -5.056
366 HE2 TYR 51 HE2 TYR 51 0.277 -9.652 -4.114
367 HH TYR 51 HH TYR 51 -0.695 -11.712 -4.456
368 H ASP 52 H ASP 52 -0.301 -2.586 -4.544
369 HA ASP 52 HA ASP 52 0.609 -3.266 -7.212
370 1HB ASP 52 1HB ASP 52 -0.326 -1.064 -6.559
371 2HB ASP 52 2HB ASP 52 1.063 -0.790 -5.496
372 HD2 ASP 52 HD2 ASP 52 2.793 0.683 -8.082
373 H ILE 53 H ILE 53 2.773 -3.286 -7.908
374 HA ILE 53 HA ILE 53 4.810 -3.967 -5.832
375 HB ILE 53 HB ILE 53 4.606 -4.778 -8.761
376 1HG1 ILE 53 1HG1 ILE 53 2.909 -5.963 -7.494
377 2HG1 ILE 53 2HG1 ILE 53 4.219 -7.052 -7.934
378 1HG2 ILE 53 1HG2 ILE 53 6.938 -4.633 -8.149
379 2HG2 ILE 53 2HG2 ILE 53 6.608 -5.405 -6.595
380 3HG2 ILE 53 3HG2 ILE 53 6.506 -6.349 -8.094
381 1HD1 ILE 53 1HD1 ILE 53 5.133 -6.851 -5.596
382 2HD1 ILE 53 2HD1 ILE 53 3.726 -5.846 -5.175
383 3HD1 ILE 53 3HD1 ILE 53 3.500 -7.525 -5.674
384 H THR 54 H THR 54 6.603 -2.775 -5.702
385 HA THR 54 HA THR 54 7.442 -0.993 -7.914
386 HB THR 54 HB THR 54 7.834 0.840 -6.286
387 HG1 THR 54 HG1 THR 54 6.511 -0.928 -4.514
388 1HG2 THR 54 1HG2 THR 54 5.716 0.810 -7.600
389 2HG2 THR 54 2HG2 THR 54 4.908 -0.003 -6.239
390 3HG2 THR 54 3HG2 THR 54 5.565 1.628 -6.033
391 H ASP 55 H ASP 55 9.654 0.078 -6.792
392 HA ASP 55 HA ASP 55 11.246 -2.156 -5.589
393 1HB ASP 55 1HB ASP 55 11.932 0.027 -7.595
394 2HB ASP 55 2HB ASP 55 13.140 -0.875 -6.688
395 HD2 ASP 55 HD2 ASP 55 12.868 -3.775 -8.581
396 H PHE 56 H PHE 56 9.632 0.547 -4.725
397 HA PHE 56 HA PHE 56 11.624 1.463 -2.722
398 1HB PHE 56 1HB PHE 56 10.898 3.821 -3.392
399 2HB PHE 56 2HB PHE 56 11.929 2.969 -4.507
400 HD1 PHE 56 HD1 PHE 56 11.240 2.596 -6.776
401 HD2 PHE 56 HD2 PHE 56 8.352 3.912 -3.852
402 HE1 PHE 56 HE1 PHE 56 9.580 2.974 -8.578
403 HE2 PHE 56 HE2 PHE 56 6.688 4.243 -5.655
404 HZ PHE 56 HZ PHE 56 7.305 3.812 -8.021
405 H CYS 57 H CYS 57 10.415 3.292 -1.451
406 HA CYS 57 HA CYS 57 7.575 2.659 -0.941
407 1HB CYS 57 1HB CYS 57 8.760 1.273 0.634
408 2HB CYS 57 2HB CYS 57 9.765 2.634 1.158
409 H TYR 58 H TYR 58 6.441 4.368 -0.179
410 HA TYR 58 HA TYR 58 7.520 7.044 -0.628
411 1HB TYR 58 1HB TYR 58 4.799 5.887 0.123
412 2HB TYR 58 2HB TYR 58 5.095 7.605 -0.020
413 HD1 TYR 58 HD1 TYR 58 5.744 8.640 -2.203
414 HD2 TYR 58 HD2 TYR 58 4.533 4.514 -1.881
415 HE1 TYR 58 HE1 TYR 58 5.542 8.511 -4.663
416 HE2 TYR 58 HE2 TYR 58 4.326 4.388 -4.351
417 HH TYR 58 HH TYR 58 5.136 7.158 -6.476
418 HA PRO 59 HA PRO 59 8.377 7.970 3.621
419 1HB PRO 59 1HB PRO 59 7.385 10.532 3.981
420 2HB PRO 59 2HB PRO 59 8.878 10.144 3.078
421 1HG PRO 59 1HG PRO 59 6.101 10.574 1.949
422 2HG PRO 59 2HG PRO 59 7.635 11.316 1.399
423 1HD PRO 59 1HD PRO 59 6.634 9.174 0.136
424 2HD PRO 59 2HD PRO 59 8.385 9.242 0.467
425 H SER 60 H SER 60 7.380 8.164 5.751
426 HA SER 60 HA SER 60 5.261 6.447 5.885
427 1HB SER 60 1HB SER 60 5.280 7.515 8.389
428 2HB SER 60 2HB SER 60 6.348 6.249 7.776
429 HG SER 60 HG SER 60 7.469 8.009 8.777
430 H CYS 61 H CYS 61 3.139 6.544 6.249
431 HA CYS 61 HA CYS 61 1.766 9.112 5.832
432 1HB CYS 61 1HB CYS 61 1.198 6.656 4.895
433 2HB CYS 61 2HB CYS 61 0.170 6.635 6.308
434 H SER 62 H SER 62 -0.468 9.053 7.253
435 HA SER 62 HA SER 62 0.164 9.231 10.098
436 1HB SER 62 1HB SER 62 -2.310 9.651 10.237
437 2HB SER 62 2HB SER 62 -1.456 10.771 9.160
438 HG SER 62 HG SER 62 -2.721 8.405 8.257
Start of MODEL 6
1 1H THR 1 1H THR 1 -2.898 17.952 13.248
2 2H THR 1 2H THR 1 -4.408 17.925 12.577
3 3H THR 1 3H THR 1 -3.744 16.538 13.186
4 HA THR 1 HA THR 1 -2.673 18.012 10.904
5 HB THR 1 HB THR 1 -1.334 15.947 10.582
6 HG1 THR 1 HG1 THR 1 -2.650 14.567 11.857
7 1HG2 THR 1 1HG2 THR 1 -0.865 17.256 13.302
8 2HG2 THR 1 2HG2 THR 1 0.328 16.419 12.294
9 3HG2 THR 1 3HG2 THR 1 -0.376 17.949 11.737
10 H LYS 2 H LYS 2 -3.908 17.826 9.111
11 HA LYS 2 HA LYS 2 -5.210 15.246 8.492
12 1HB LYS 2 1HB LYS 2 -6.615 17.959 8.420
13 2HB LYS 2 2HB LYS 2 -7.202 16.478 7.643
14 1HG LYS 2 1HG LYS 2 -7.214 15.343 9.868
15 2HG LYS 2 2HG LYS 2 -6.804 16.891 10.635
16 1HD LYS 2 1HD LYS 2 -8.827 17.932 9.817
17 2HD LYS 2 2HD LYS 2 -9.254 16.512 8.851
18 1HE LYS 2 1HE LYS 2 -8.976 16.458 11.890
19 2HE LYS 2 2HE LYS 2 -10.506 16.745 11.043
20 1HZ LYS 2 1HZ LYS 2 -10.246 14.459 11.640
21 2HZ LYS 2 2HZ LYS 2 -10.296 14.626 10.003
22 3HZ LYS 2 3HZ LYS 2 -8.862 14.331 10.757
23 H SER 3 H SER 3 -5.275 14.809 6.312
24 HA SER 3 HA SER 3 -4.531 16.719 4.263
25 1HB SER 3 1HB SER 3 -2.593 14.523 5.140
26 2HB SER 3 2HB SER 3 -2.520 15.304 3.551
27 HG SER 3 HG SER 3 -2.472 16.793 5.949
28 H THR 4 H THR 4 -4.569 15.645 2.118
29 HA THR 4 HA THR 4 -6.695 13.694 1.895
30 HB THR 4 HB THR 4 -6.184 13.898 -0.545
31 HG1 THR 4 HG1 THR 4 -3.947 14.249 -0.358
32 1HG2 THR 4 1HG2 THR 4 -6.332 16.587 0.891
33 2HG2 THR 4 2HG2 THR 4 -6.784 16.254 -0.791
34 3HG2 THR 4 3HG2 THR 4 -7.711 15.522 0.533
35 H THR 5 H THR 5 -6.360 11.771 0.420
36 HA THR 5 HA THR 5 -4.343 10.035 1.583
37 HB THR 5 HB THR 5 -6.555 9.225 1.353
38 HG1 THR 5 HG1 THR 5 -6.066 7.300 0.270
39 1HG2 THR 5 1HG2 THR 5 -6.353 9.490 -1.681
40 2HG2 THR 5 2HG2 THR 5 -7.638 8.697 -0.763
41 3HG2 THR 5 3HG2 THR 5 -7.412 10.440 -0.617
42 H THR 6 H THR 6 -2.611 11.505 0.738
43 HA THR 6 HA THR 6 -1.782 11.404 -2.006
44 HB THR 6 HB THR 6 0.372 12.151 -1.097
45 HG1 THR 6 HG1 THR 6 -0.858 11.881 1.444
46 1HG2 THR 6 1HG2 THR 6 -1.454 13.792 -1.488
47 2HG2 THR 6 2HG2 THR 6 -1.943 13.631 0.215
48 3HG2 THR 6 3HG2 THR 6 -0.346 14.279 -0.192
49 H ALA 7 H ALA 7 0.306 10.377 -2.667
50 HA ALA 7 HA ALA 7 0.141 7.527 -2.357
51 1HB ALA 7 1HB ALA 7 2.200 9.270 -3.721
52 2HB ALA 7 2HB ALA 7 2.094 7.496 -3.825
53 3HB ALA 7 3HB ALA 7 0.766 8.502 -4.450
54 H CYS 8 H CYS 8 0.349 7.216 -0.147
55 HA CYS 8 HA CYS 8 3.080 7.507 1.089
56 1HB CYS 8 1HB CYS 8 1.953 7.790 3.162
57 2HB CYS 8 2HB CYS 8 1.187 8.886 2.047
58 H CYS 9 H CYS 9 2.765 6.016 3.180
59 HA CYS 9 HA CYS 9 1.629 3.401 2.744
60 1HB CYS 9 1HB CYS 9 3.954 3.567 1.424
61 2HB CYS 9 2HB CYS 9 4.643 3.478 3.038
62 H ASP 10 H ASP 10 2.543 1.967 4.767
63 HA ASP 10 HA ASP 10 3.768 3.631 6.859
64 1HB ASP 10 1HB ASP 10 1.264 1.923 7.156
65 2HB ASP 10 2HB ASP 10 2.282 2.453 8.485
66 HD2 ASP 10 HD2 ASP 10 1.300 5.874 8.157
67 H PHE 11 H PHE 11 2.571 0.312 6.012
68 HA PHE 11 HA PHE 11 5.056 -0.895 7.108
69 1HB PHE 11 1HB PHE 11 2.570 -2.158 5.942
70 2HB PHE 11 2HB PHE 11 3.904 -2.992 6.727
71 HD1 PHE 11 HD1 PHE 11 1.211 -3.611 7.498
72 HD2 PHE 11 HD2 PHE 11 3.830 -0.513 8.988
73 HE1 PHE 11 HE1 PHE 11 -0.099 -3.500 9.593
74 HE2 PHE 11 HE2 PHE 11 2.516 -0.404 11.061
75 HZ PHE 11 HZ PHE 11 0.534 -1.874 11.374
76 H CYS 12 H CYS 12 6.683 -0.915 5.731
77 HA CYS 12 HA CYS 12 6.271 -1.340 2.798
78 1HB CYS 12 1HB CYS 12 8.437 0.092 4.368
79 2HB CYS 12 2HB CYS 12 8.574 -0.316 2.655
80 HA PRO 13 HA PRO 13 8.842 -4.971 4.181
81 1HB PRO 13 1HB PRO 13 7.255 -7.086 3.682
82 2HB PRO 13 2HB PRO 13 7.059 -6.122 5.178
83 1HG PRO 13 1HG PRO 13 5.499 -5.847 2.590
84 2HG PRO 13 2HG PRO 13 4.869 -6.031 4.257
85 1HD PRO 13 1HD PRO 13 5.175 -3.572 3.034
86 2HD PRO 13 2HD PRO 13 5.405 -3.806 4.798
87 H CYS 14 H CYS 14 9.660 -6.635 2.676
88 HA CYS 14 HA CYS 14 8.937 -6.455 -0.123
89 1HB CYS 14 1HB CYS 14 10.374 -4.455 0.335
90 2HB CYS 14 2HB CYS 14 11.693 -5.523 0.835
91 H THR 15 H THR 15 10.299 -7.893 -1.429
92 HA THR 15 HA THR 15 10.934 -10.402 -0.048
93 HB THR 15 HB THR 15 11.582 -11.193 -2.268
94 HG1 THR 15 HG1 THR 15 11.713 -9.863 -3.966
95 1HG2 THR 15 1HG2 THR 15 9.480 -10.843 -3.522
96 2HG2 THR 15 2HG2 THR 15 9.217 -11.322 -1.838
97 3HG2 THR 15 3HG2 THR 15 8.977 -9.632 -2.324
98 H ARG 16 H ARG 16 13.127 -11.433 -0.710
99 HA ARG 16 HA ARG 16 15.392 -9.511 -0.360
100 1HB ARG 16 1HB ARG 16 16.660 -11.397 0.411
101 2HB ARG 16 2HB ARG 16 15.218 -11.163 1.416
102 1HG ARG 16 1HG ARG 16 14.082 -13.025 0.307
103 2HG ARG 16 2HG ARG 16 15.433 -13.250 -0.818
104 1HD ARG 16 1HD ARG 16 15.617 -13.539 2.206
105 2HD ARG 16 2HD ARG 16 15.425 -14.880 1.058
106 HE ARG 16 HE ARG 16 17.667 -13.361 0.248
107 1HH1 ARG 16 1HH1 ARG 16 16.703 -15.494 2.916
108 2HH1 ARG 16 2HH1 ARG 16 18.333 -16.020 3.253
109 1HH2 ARG 16 1HH2 ARG 16 19.809 -14.038 0.724
110 2HH2 ARG 16 2HH2 ARG 16 20.102 -15.186 2.003
111 H SER 17 H SER 17 13.726 -10.869 -2.798
112 HA SER 17 HA SER 17 15.794 -12.274 -4.238
113 1HB SER 17 1HB SER 17 13.967 -12.445 -5.947
114 2HB SER 17 2HB SER 17 13.525 -13.029 -4.354
115 HG SER 17 HG SER 17 11.948 -11.654 -5.365
116 H ILE 18 H ILE 18 15.740 -11.741 -6.665
117 HA ILE 18 HA ILE 18 16.524 -8.926 -7.128
118 HB ILE 18 HB ILE 18 18.429 -10.261 -6.524
119 1HG1 ILE 18 1HG1 ILE 18 19.847 -9.962 -8.594
120 2HG1 ILE 18 2HG1 ILE 18 18.389 -9.493 -9.477
121 1HG2 ILE 18 1HG2 ILE 18 18.144 -12.029 -8.959
122 2HG2 ILE 18 2HG2 ILE 18 19.277 -12.140 -7.612
123 3HG2 ILE 18 3HG2 ILE 18 17.574 -12.518 -7.346
124 1HD1 ILE 18 1HD1 ILE 18 19.488 -8.111 -6.978
125 2HD1 ILE 18 2HD1 ILE 18 19.735 -7.562 -8.648
126 3HD1 ILE 18 3HD1 ILE 18 18.109 -7.550 -7.952
127 HA PRO 19 HA PRO 19 15.715 -7.364 -8.377
128 1HB PRO 19 1HB PRO 19 13.356 -6.278 -9.210
129 2HB PRO 19 2HB PRO 19 14.783 -6.494 -10.264
130 1HG PRO 19 1HG PRO 19 12.385 -8.336 -10.006
131 2HG PRO 19 2HG PRO 19 13.105 -7.678 -11.506
132 1HD PRO 19 1HD PRO 19 13.740 -10.159 -10.591
133 2HD PRO 19 2HD PRO 19 14.996 -9.109 -11.309
134 HA PRO 20 HA PRO 20 13.210 -7.944 -4.702
135 1HB PRO 20 1HB PRO 20 13.279 -5.480 -3.573
136 2HB PRO 20 2HB PRO 20 14.762 -6.446 -3.806
137 1HG PRO 20 1HG PRO 20 13.687 -4.250 -5.609
138 2HG PRO 20 2HG PRO 20 15.330 -4.394 -4.927
139 1HD PRO 20 1HD PRO 20 14.734 -5.298 -7.435
140 2HD PRO 20 2HD PRO 20 15.883 -6.169 -6.377
141 H GLN 21 H GLN 21 11.009 -7.999 -4.284
142 HA GLN 21 HA GLN 21 9.175 -6.182 -5.767
143 1HB GLN 21 1HB GLN 21 8.504 -8.797 -4.369
144 2HB GLN 21 2HB GLN 21 7.541 -7.851 -5.497
145 1HG GLN 21 1HG GLN 21 10.000 -9.531 -6.081
146 2HG GLN 21 2HG GLN 21 8.335 -9.834 -6.586
147 1HE2 GLN 21 1HE2 GLN 21 11.299 -8.310 -7.380
148 2HE2 GLN 21 2HE2 GLN 21 10.750 -7.417 -8.789
149 H CYS 22 H CYS 22 8.987 -4.436 -4.424
150 HA CYS 22 HA CYS 22 8.521 -4.868 -1.514
151 1HB CYS 22 1HB CYS 22 9.340 -2.301 -2.877
152 2HB CYS 22 2HB CYS 22 9.238 -2.642 -1.160
153 H GLN 23 H GLN 23 6.776 -3.963 -0.540
154 HA GLN 23 HA GLN 23 4.637 -2.820 -2.303
155 1HB GLN 23 1HB GLN 23 4.375 -5.248 -0.467
156 2HB GLN 23 2HB GLN 23 3.043 -4.451 -1.322
157 1HG GLN 23 1HG GLN 23 4.250 -4.924 -3.484
158 2HG GLN 23 2HG GLN 23 5.346 -5.983 -2.583
159 1HE2 GLN 23 1HE2 GLN 23 4.389 -7.863 -1.437
160 2HE2 GLN 23 2HE2 GLN 23 2.887 -8.541 -2.029
161 H CYS 24 H CYS 24 2.651 -2.382 -0.923
162 HA CYS 24 HA CYS 24 3.340 -1.349 1.780
163 1HB CYS 24 1HB CYS 24 1.205 -0.494 -0.206
164 2HB CYS 24 2HB CYS 24 1.114 -0.119 1.520
165 H THR 25 H THR 25 2.410 -2.473 3.436
166 HA THR 25 HA THR 25 0.221 -4.430 2.760
167 HB THR 25 HB THR 25 1.172 -5.856 4.538
168 HG1 THR 25 HG1 THR 25 3.212 -5.347 5.312
169 1HG2 THR 25 1HG2 THR 25 2.973 -6.742 3.188
170 2HG2 THR 25 2HG2 THR 25 1.681 -6.186 2.119
171 3HG2 THR 25 3HG2 THR 25 3.146 -5.202 2.310
172 H ASP 26 H ASP 26 0.749 -1.527 4.427
173 HA ASP 26 HA ASP 26 -0.751 -2.074 6.762
174 1HB ASP 26 1HB ASP 26 -0.998 0.420 6.733
175 2HB ASP 26 2HB ASP 26 0.628 -0.243 6.787
176 HD2 ASP 26 HD2 ASP 26 -0.525 2.141 3.758
177 H VAL 27 H VAL 27 -2.816 -1.878 7.175
178 HA VAL 27 HA VAL 27 -4.691 -1.995 4.862
179 HB VAL 27 HB VAL 27 -5.035 -3.339 7.564
180 1HG1 VAL 27 1HG1 VAL 27 -6.627 -4.736 6.312
181 2HG1 VAL 27 2HG1 VAL 27 -7.048 -3.030 6.143
182 3HG1 VAL 27 3HG1 VAL 27 -6.246 -3.871 4.807
183 1HG2 VAL 27 1HG2 VAL 27 -3.005 -4.315 6.645
184 2HG2 VAL 27 2HG2 VAL 27 -4.329 -5.443 6.370
185 3HG2 VAL 27 3HG2 VAL 27 -3.743 -4.437 5.030
186 H ARG 28 H ARG 28 -6.145 -0.407 4.766
187 HA ARG 28 HA ARG 28 -6.880 1.285 7.082
188 1HB ARG 28 1HB ARG 28 -4.748 1.807 5.096
189 2HB ARG 28 2HB ARG 28 -5.919 3.095 5.081
190 1HG ARG 28 1HG ARG 28 -4.627 2.060 7.638
191 2HG ARG 28 2HG ARG 28 -3.933 3.348 6.650
192 1HD ARG 28 1HD ARG 28 -6.719 3.465 7.881
193 2HD ARG 28 2HD ARG 28 -5.284 4.181 8.602
194 HE ARG 28 HE ARG 28 -6.793 5.094 6.250
195 1HH1 ARG 28 1HH1 ARG 28 -3.774 5.544 8.106
196 2HH1 ARG 28 2HH1 ARG 28 -3.519 7.159 7.493
197 1HH2 ARG 28 1HH2 ARG 28 -6.381 7.145 5.422
198 2HH2 ARG 28 2HH2 ARG 28 -4.974 8.047 5.938
199 H GLU 29 H GLU 29 -7.904 3.407 5.492
200 HA GLU 29 HA GLU 29 -10.219 2.265 4.179
201 1HB GLU 29 1HB GLU 29 -9.799 4.619 5.384
202 2HB GLU 29 2HB GLU 29 -9.293 5.107 3.769
203 1HG GLU 29 1HG GLU 29 -11.578 4.183 2.974
204 2HG GLU 29 2HG GLU 29 -11.963 3.907 4.673
205 HE2 GLU 29 HE2 GLU 29 -13.496 7.040 4.318
206 H LYS 30 H LYS 30 -10.025 4.187 1.835
207 HA LYS 30 HA LYS 30 -9.268 2.236 0.036
208 1HB LYS 30 1HB LYS 30 -9.344 3.977 -1.683
209 2HB LYS 30 2HB LYS 30 -10.760 3.903 -0.663
210 1HG LYS 30 1HG LYS 30 -10.104 5.905 0.546
211 2HG LYS 30 2HG LYS 30 -8.482 5.894 -0.151
212 1HD LYS 30 1HD LYS 30 -11.036 6.326 -1.757
213 2HD LYS 30 2HD LYS 30 -10.003 7.612 -1.110
214 1HE LYS 30 1HE LYS 30 -8.064 6.668 -2.423
215 2HE LYS 30 2HE LYS 30 -9.184 5.536 -3.198
216 1HZ LYS 30 1HZ LYS 30 -10.405 7.397 -4.031
217 2HZ LYS 30 2HZ LYS 30 -9.355 8.454 -3.325
218 3HZ LYS 30 3HZ LYS 30 -8.833 7.449 -4.519
219 H CYS 31 H CYS 31 -7.734 2.041 -1.479
220 HA CYS 31 HA CYS 31 -5.019 2.339 -0.646
221 1HB CYS 31 1HB CYS 31 -4.621 1.536 -3.074
222 2HB CYS 31 2HB CYS 31 -5.310 0.490 -1.855
223 H HIS 32 H HIS 32 -3.365 3.525 -1.515
224 HA HIS 32 HA HIS 32 -4.156 6.240 -1.634
225 1HB HIS 32 1HB HIS 32 -1.802 6.785 -1.605
226 2HB HIS 32 2HB HIS 32 -2.274 5.647 -0.395
227 HD1 HIS 32 HD1 HIS 32 -0.312 5.771 -3.694
228 HD2 HIS 32 HD2 HIS 32 -0.858 3.392 -0.270
229 HE1 HIS 32 HE1 HIS 32 1.540 4.011 -3.692
230 HE2 HIS 32 HE2 HIS 32 1.209 2.535 -1.629
231 H SER 33 H SER 33 -2.834 7.796 -3.006
232 HA SER 33 HA SER 33 -3.928 7.636 -5.648
233 1HB SER 33 1HB SER 33 -3.811 9.672 -4.216
234 2HB SER 33 2HB SER 33 -2.062 9.701 -4.501
235 HG SER 33 HG SER 33 -2.585 9.791 -6.764
236 H ALA 34 H ALA 34 -1.696 5.638 -5.044
237 HA ALA 34 HA ALA 34 -0.549 5.819 -7.698
238 1HB ALA 34 1HB ALA 34 1.811 5.671 -7.018
239 2HB ALA 34 2HB ALA 34 1.112 7.215 -6.508
240 3HB ALA 34 3HB ALA 34 1.355 5.914 -5.322
241 H CYS 35 H CYS 35 -2.268 4.031 -7.200
242 HA CYS 35 HA CYS 35 -0.806 1.541 -6.488
243 1HB CYS 35 1HB CYS 35 -3.669 2.267 -5.826
244 2HB CYS 35 2HB CYS 35 -2.927 0.679 -5.570
245 H LYS 36 H LYS 36 -0.840 0.004 -7.959
246 HA LYS 36 HA LYS 36 -2.427 0.347 -10.456
247 1HB LYS 36 1HB LYS 36 0.224 -0.975 -9.756
248 2HB LYS 36 2HB LYS 36 -0.663 -1.353 -11.225
249 1HG LYS 36 1HG LYS 36 1.060 0.274 -11.690
250 2HG LYS 36 2HG LYS 36 -0.539 0.962 -11.998
251 1HD LYS 36 1HD LYS 36 -0.451 2.288 -9.989
252 2HD LYS 36 2HD LYS 36 0.988 1.419 -9.401
253 1HE LYS 36 1HE LYS 36 2.290 2.367 -11.302
254 2HE LYS 36 2HE LYS 36 0.840 3.234 -11.848
255 1HZ LYS 36 1HZ LYS 36 2.267 4.617 -10.531
256 2HZ LYS 36 2HZ LYS 36 0.827 4.395 -9.762
257 3HZ LYS 36 3HZ LYS 36 2.167 3.586 -9.250
258 H SER 37 H SER 37 -1.303 -1.971 -8.006
259 HA SER 37 HA SER 37 -3.740 -3.634 -8.482
260 1HB SER 37 1HB SER 37 -1.545 -4.849 -8.714
261 2HB SER 37 2HB SER 37 -1.205 -4.459 -7.033
262 HG SER 37 HG SER 37 -3.212 -5.547 -6.533
263 H CYS 38 H CYS 38 -5.147 -3.774 -6.815
264 HA CYS 38 HA CYS 38 -4.507 -3.012 -4.071
265 1HB CYS 38 1HB CYS 38 -4.986 -0.866 -5.060
266 2HB CYS 38 2HB CYS 38 -6.411 -1.481 -5.895
267 H LEU 39 H LEU 39 -6.056 -3.857 -2.637
268 HA LEU 39 HA LEU 39 -8.485 -5.043 -3.637
269 1HB LEU 39 1HB LEU 39 -6.618 -6.779 -4.150
270 2HB LEU 39 2HB LEU 39 -6.482 -6.979 -2.406
271 HG LEU 39 HG LEU 39 -8.856 -7.732 -2.309
272 1HD1 LEU 39 1HD1 LEU 39 -8.680 -7.463 -5.347
273 2HD1 LEU 39 2HD1 LEU 39 -9.919 -8.410 -4.500
274 3HD1 LEU 39 3HD1 LEU 39 -9.850 -6.663 -4.273
275 1HD2 LEU 39 1HD2 LEU 39 -7.099 -9.248 -4.273
276 2HD2 LEU 39 2HD2 LEU 39 -6.987 -9.325 -2.501
277 3HD2 LEU 39 3HD2 LEU 39 -8.441 -9.918 -3.319
278 H CYS 40 H CYS 40 -9.848 -5.843 -1.892
279 HA CYS 40 HA CYS 40 -9.046 -4.898 0.802
280 1HB CYS 40 1HB CYS 40 -11.830 -4.630 -0.361
281 2HB CYS 40 2HB CYS 40 -11.211 -3.907 1.117
282 H THR 41 H THR 41 -10.337 -5.824 2.531
283 HA THR 41 HA THR 41 -10.324 -8.705 2.215
284 HB THR 41 HB THR 41 -10.888 -8.662 4.634
285 HG1 THR 41 HG1 THR 41 -11.436 -6.846 5.580
286 1HG2 THR 41 1HG2 THR 41 -8.628 -6.757 3.894
287 2HG2 THR 41 2HG2 THR 41 -8.800 -7.675 5.404
288 3HG2 THR 41 3HG2 THR 41 -8.530 -8.532 3.872
289 H ARG 42 H ARG 42 -12.044 -10.113 2.735
290 HA ARG 42 HA ARG 42 -14.736 -9.136 2.006
291 1HB ARG 42 1HB ARG 42 -15.304 -11.421 1.717
292 2HB ARG 42 2HB ARG 42 -13.822 -11.072 0.821
293 1HG ARG 42 1HG ARG 42 -12.492 -12.157 2.601
294 2HG ARG 42 2HG ARG 42 -13.983 -12.472 3.524
295 1HD ARG 42 1HD ARG 42 -14.862 -13.820 1.649
296 2HD ARG 42 2HD ARG 42 -13.358 -13.543 0.742
297 HE ARG 42 HE ARG 42 -12.597 -14.595 3.220
298 1HH1 ARG 42 1HH1 ARG 42 -14.546 -15.693 0.457
299 2HH1 ARG 42 2HH1 ARG 42 -14.173 -17.378 0.708
300 1HH2 ARG 42 1HH2 ARG 42 -12.106 -16.809 3.519
301 2HH2 ARG 42 2HH2 ARG 42 -12.778 -18.013 2.453
302 H SER 43 H SER 43 -13.137 -8.933 4.815
303 HA SER 43 HA SER 43 -14.890 -10.292 6.622
304 1HB SER 43 1HB SER 43 -13.641 -8.750 8.271
305 2HB SER 43 2HB SER 43 -12.706 -9.939 7.386
306 HG SER 43 HG SER 43 -11.874 -7.722 7.466
307 H PHE 44 H PHE 44 -15.738 -8.828 8.434
308 HA PHE 44 HA PHE 44 -17.197 -6.461 7.373
309 1HB PHE 44 1HB PHE 44 -18.706 -8.381 7.454
310 2HB PHE 44 2HB PHE 44 -18.391 -8.569 9.178
311 HD1 PHE 44 HD1 PHE 44 -19.912 -6.397 6.571
312 HD2 PHE 44 HD2 PHE 44 -19.383 -7.013 10.808
313 HE1 PHE 44 HE1 PHE 44 -21.628 -4.668 7.041
314 HE2 PHE 44 HE2 PHE 44 -21.083 -5.271 11.270
315 HZ PHE 44 HZ PHE 44 -22.192 -4.080 9.390
316 HA PRO 45 HA PRO 45 -17.129 -4.349 7.840
317 1HB PRO 45 1HB PRO 45 -15.347 -2.324 8.192
318 2HB PRO 45 2HB PRO 45 -16.800 -2.532 9.211
319 1HG PRO 45 1HG PRO 45 -13.983 -3.473 9.823
320 2HG PRO 45 2HG PRO 45 -15.060 -2.501 10.869
321 1HD PRO 45 1HD PRO 45 -14.887 -5.201 11.142
322 2HD PRO 45 2HD PRO 45 -16.464 -4.377 11.304
323 HA PRO 46 HA PRO 46 -13.715 -5.706 5.109
324 1HB PRO 46 1HB PRO 46 -14.292 -4.361 2.835
325 2HB PRO 46 2HB PRO 46 -15.378 -5.638 3.456
326 1HG PRO 46 1HG PRO 46 -15.643 -2.644 3.886
327 2HG PRO 46 2HG PRO 46 -16.891 -3.768 3.272
328 1HD PRO 46 1HD PRO 46 -16.739 -3.050 5.905
329 2HD PRO 46 2HD PRO 46 -17.221 -4.704 5.422
330 H GLN 47 H GLN 47 -11.711 -4.792 4.292
331 HA GLN 47 HA GLN 47 -11.158 -1.961 4.871
332 1HB GLN 47 1HB GLN 47 -10.899 -3.625 6.962
333 2HB GLN 47 2HB GLN 47 -9.416 -4.092 6.131
334 1HG GLN 47 1HG GLN 47 -8.837 -2.441 7.728
335 2HG GLN 47 2HG GLN 47 -8.747 -1.650 6.147
336 1HE2 GLN 47 1HE2 GLN 47 -10.230 0.014 5.647
337 2HE2 GLN 47 2HE2 GLN 47 -11.399 0.621 6.807
338 H CYS 48 H CYS 48 -9.431 -1.137 3.678
339 HA CYS 48 HA CYS 48 -8.739 -2.894 1.402
340 1HB CYS 48 1HB CYS 48 -9.175 0.065 1.714
341 2HB CYS 48 2HB CYS 48 -8.529 -0.660 0.248
342 H ARG 49 H ARG 49 -6.804 -2.690 0.281
343 HA ARG 49 HA ARG 49 -4.508 -1.372 1.560
344 1HB ARG 49 1HB ARG 49 -4.675 -3.400 2.793
345 2HB ARG 49 2HB ARG 49 -4.864 -4.372 1.335
346 1HG ARG 49 1HG ARG 49 -2.330 -2.767 1.819
347 2HG ARG 49 2HG ARG 49 -2.603 -4.274 2.688
348 1HD ARG 49 1HD ARG 49 -2.427 -4.024 -0.340
349 2HD ARG 49 2HD ARG 49 -1.237 -4.694 0.750
350 HE ARG 49 HE ARG 49 -2.547 -6.576 1.180
351 1HH1 ARG 49 1HH1 ARG 49 -4.148 -4.477 -1.232
352 2HH1 ARG 49 2HH1 ARG 49 -5.054 -5.786 -1.918
353 1HH2 ARG 49 1HH2 ARG 49 -3.805 -8.247 0.279
354 2HH2 ARG 49 2HH2 ARG 49 -4.922 -7.910 -1.016
355 H CYS 50 H CYS 50 -2.767 -1.239 0.234
356 HA CYS 50 HA CYS 50 -3.376 -1.280 -2.689
357 1HB CYS 50 1HB CYS 50 -2.838 0.900 -1.688
358 2HB CYS 50 2HB CYS 50 -1.374 0.250 -0.974
359 H TYR 51 H TYR 51 -2.396 -2.857 -3.880
360 HA TYR 51 HA TYR 51 -0.173 -4.400 -2.632
361 1HB TYR 51 1HB TYR 51 -2.530 -5.375 -3.177
362 2HB TYR 51 2HB TYR 51 -2.024 -5.315 -4.839
363 HD1 TYR 51 HD1 TYR 51 -0.819 -6.505 -1.465
364 HD2 TYR 51 HD2 TYR 51 -0.966 -7.268 -5.709
365 HE1 TYR 51 HE1 TYR 51 0.403 -8.629 -1.126
366 HE2 TYR 51 HE2 TYR 51 0.269 -9.385 -5.367
367 HH TYR 51 HH TYR 51 1.316 -10.497 -2.127
368 H ASP 52 H ASP 52 0.127 -1.887 -4.301
369 HA ASP 52 HA ASP 52 1.002 -2.533 -6.898
370 1HB ASP 52 1HB ASP 52 0.446 -0.283 -6.110
371 2HB ASP 52 2HB ASP 52 1.853 -0.272 -5.038
372 HD2 ASP 52 HD2 ASP 52 3.013 -0.427 -8.904
373 H ILE 53 H ILE 53 2.958 -3.111 -7.747
374 HA ILE 53 HA ILE 53 4.999 -4.248 -5.890
375 HB ILE 53 HB ILE 53 4.279 -4.810 -8.797
376 1HG1 ILE 53 1HG1 ILE 53 2.621 -5.684 -7.119
377 2HG1 ILE 53 2HG1 ILE 53 3.377 -6.886 -8.157
378 1HG2 ILE 53 1HG2 ILE 53 5.853 -6.760 -8.546
379 2HG2 ILE 53 2HG2 ILE 53 6.641 -5.179 -8.575
380 3HG2 ILE 53 3HG2 ILE 53 6.436 -6.027 -7.033
381 1HD1 ILE 53 1HD1 ILE 53 3.173 -7.626 -5.796
382 2HD1 ILE 53 2HD1 ILE 53 4.850 -7.628 -6.361
383 3HD1 ILE 53 3HD1 ILE 53 4.274 -6.321 -5.310
384 H THR 54 H THR 54 6.649 -2.835 -5.604
385 HA THR 54 HA THR 54 7.856 -1.526 -7.986
386 HB THR 54 HB THR 54 8.209 0.511 -6.496
387 HG1 THR 54 HG1 THR 54 7.604 -0.378 -4.512
388 1HG2 THR 54 1HG2 THR 54 6.555 0.520 -8.342
389 2HG2 THR 54 2HG2 THR 54 5.319 -0.128 -7.241
390 3HG2 THR 54 3HG2 THR 54 5.999 1.483 -6.958
391 H ASP 55 H ASP 55 10.070 -0.839 -7.598
392 HA ASP 55 HA ASP 55 11.585 -2.718 -5.962
393 1HB ASP 55 1HB ASP 55 12.378 -0.290 -7.628
394 2HB ASP 55 2HB ASP 55 13.507 -1.370 -6.810
395 HD2 ASP 55 HD2 ASP 55 12.733 -4.143 -8.962
396 H PHE 56 H PHE 56 10.166 0.396 -5.487
397 HA PHE 56 HA PHE 56 11.757 0.925 -3.011
398 1HB PHE 56 1HB PHE 56 11.106 3.316 -3.431
399 2HB PHE 56 2HB PHE 56 12.140 2.620 -4.642
400 HD1 PHE 56 HD1 PHE 56 8.649 3.721 -3.917
401 HD2 PHE 56 HD2 PHE 56 11.412 2.370 -6.945
402 HE1 PHE 56 HE1 PHE 56 6.984 4.237 -5.671
403 HE2 PHE 56 HE2 PHE 56 9.751 2.928 -8.699
404 HZ PHE 56 HZ PHE 56 7.525 3.837 -8.063
405 H CYS 57 H CYS 57 10.235 2.654 -1.768
406 HA CYS 57 HA CYS 57 7.414 1.876 -1.741
407 1HB CYS 57 1HB CYS 57 8.625 0.339 -0.124
408 2HB CYS 57 2HB CYS 57 9.039 1.770 0.827
409 H TYR 58 H TYR 58 6.115 3.467 -0.584
410 HA TYR 58 HA TYR 58 7.207 6.160 -0.839
411 1HB TYR 58 1HB TYR 58 4.473 4.968 -0.239
412 2HB TYR 58 2HB TYR 58 4.774 6.690 -0.275
413 HD1 TYR 58 HD1 TYR 58 5.536 7.814 -2.392
414 HD2 TYR 58 HD2 TYR 58 4.217 3.708 -2.300
415 HE1 TYR 58 HE1 TYR 58 5.254 7.852 -4.848
416 HE2 TYR 58 HE2 TYR 58 3.960 3.742 -4.768
417 HH TYR 58 HH TYR 58 4.672 6.661 -6.717
418 HA PRO 59 HA PRO 59 8.004 6.676 3.472
419 1HB PRO 59 1HB PRO 59 7.488 9.327 3.954
420 2HB PRO 59 2HB PRO 59 8.817 8.767 2.902
421 1HG PRO 59 1HG PRO 59 6.041 9.639 2.052
422 2HG PRO 59 2HG PRO 59 7.611 10.220 1.419
423 1HD PRO 59 1HD PRO 59 6.226 8.285 0.150
424 2HD PRO 59 2HD PRO 59 8.001 8.171 0.278
425 H SER 60 H SER 60 6.980 7.637 5.614
426 HA SER 60 HA SER 60 4.634 6.218 6.078
427 1HB SER 60 1HB SER 60 4.751 7.680 8.259
428 2HB SER 60 2HB SER 60 5.899 6.386 7.913
429 HG SER 60 HG SER 60 6.270 9.158 7.356
430 H CYS 61 H CYS 61 2.602 6.763 6.354
431 HA CYS 61 HA CYS 61 1.566 9.173 5.077
432 1HB CYS 61 1HB CYS 61 0.667 6.596 5.257
433 2HB CYS 61 2HB CYS 61 -0.291 7.329 6.528
434 H SER 62 H SER 62 -0.698 9.821 6.381
435 HA SER 62 HA SER 62 -0.239 10.186 9.250
436 1HB SER 62 1HB SER 62 0.593 12.297 8.198
437 2HB SER 62 2HB SER 62 -0.986 12.507 7.412
438 HG SER 62 HG SER 62 -1.837 12.357 9.626
Start of MODEL 7
1 1H THR 1 1H THR 1 -0.924 14.104 7.599
2 2H THR 1 2H THR 1 -0.952 15.310 6.481
3 3H THR 1 3H THR 1 -0.834 15.676 8.089
4 HA THR 1 HA THR 1 -3.148 14.420 6.815
5 HB THR 1 HB THR 1 -4.241 14.874 9.011
6 HG1 THR 1 HG1 THR 1 -2.779 15.141 10.780
7 1HG2 THR 1 1HG2 THR 1 -1.880 12.990 9.275
8 2HG2 THR 1 2HG2 THR 1 -3.443 12.894 10.092
9 3HG2 THR 1 3HG2 THR 1 -3.346 12.605 8.345
10 H LYS 2 H LYS 2 -2.722 16.240 5.217
11 HA LYS 2 HA LYS 2 -4.659 18.279 5.714
12 1HB LYS 2 1HB LYS 2 -2.768 19.326 6.928
13 2HB LYS 2 2HB LYS 2 -1.770 19.244 5.479
14 1HG LYS 2 1HG LYS 2 -3.190 20.753 4.288
15 2HG LYS 2 2HG LYS 2 -4.468 20.687 5.505
16 1HD LYS 2 1HD LYS 2 -1.709 21.675 6.287
17 2HD LYS 2 2HD LYS 2 -2.780 22.720 5.353
18 1HE LYS 2 1HE LYS 2 -2.982 23.214 7.723
19 2HE LYS 2 2HE LYS 2 -4.517 22.639 7.055
20 1HZ LYS 2 1HZ LYS 2 -4.079 20.512 8.033
21 2HZ LYS 2 2HZ LYS 2 -2.622 21.021 8.611
22 3HZ LYS 2 3HZ LYS 2 -4.015 21.685 9.185
23 H SER 3 H SER 3 -1.693 17.702 3.743
24 HA SER 3 HA SER 3 -2.743 18.577 1.277
25 1HB SER 3 1HB SER 3 -0.585 16.495 1.831
26 2HB SER 3 2HB SER 3 -0.820 17.389 0.314
27 HG SER 3 HG SER 3 0.766 18.347 1.663
28 H THR 4 H THR 4 -3.954 17.587 -0.288
29 HA THR 4 HA THR 4 -5.755 15.608 0.267
30 HB THR 4 HB THR 4 -4.656 16.364 -2.444
31 HG1 THR 4 HG1 THR 4 -6.367 17.874 -2.360
32 1HG2 THR 4 1HG2 THR 4 -6.945 15.783 -3.246
33 2HG2 THR 4 2HG2 THR 4 -6.101 14.371 -2.599
34 3HG2 THR 4 3HG2 THR 4 -7.350 15.181 -1.625
35 H THR 5 H THR 5 -5.610 13.516 0.584
36 HA THR 5 HA THR 5 -4.201 11.625 1.043
37 HB THR 5 HB THR 5 -5.302 10.012 -0.529
38 HG1 THR 5 HG1 THR 5 -6.397 12.397 -1.608
39 1HG2 THR 5 1HG2 THR 5 -6.391 10.717 1.564
40 2HG2 THR 5 2HG2 THR 5 -7.152 12.086 0.721
41 3HG2 THR 5 3HG2 THR 5 -7.568 10.423 0.269
42 H THR 6 H THR 6 -1.967 12.234 0.699
43 HA THR 6 HA THR 6 -0.775 12.154 -1.893
44 HB THR 6 HB THR 6 1.333 12.179 -0.608
45 HG1 THR 6 HG1 THR 6 1.159 12.287 1.668
46 1HG2 THR 6 1HG2 THR 6 0.099 14.285 -1.091
47 2HG2 THR 6 2HG2 THR 6 -0.747 14.136 0.466
48 3HG2 THR 6 3HG2 THR 6 1.013 14.368 0.428
49 H ALA 7 H ALA 7 0.869 10.655 -2.617
50 HA ALA 7 HA ALA 7 0.100 7.876 -2.337
51 1HB ALA 7 1HB ALA 7 0.903 8.713 -4.464
52 2HB ALA 7 2HB ALA 7 2.467 9.154 -3.740
53 3HB ALA 7 3HB ALA 7 1.981 7.447 -3.830
54 H CYS 8 H CYS 8 0.344 7.343 -0.154
55 HA CYS 8 HA CYS 8 3.131 6.815 0.673
56 1HB CYS 8 1HB CYS 8 2.704 7.633 2.936
57 2HB CYS 8 2HB CYS 8 2.835 8.852 1.707
58 H CYS 9 H CYS 9 3.190 5.602 2.651
59 HA CYS 9 HA CYS 9 1.214 3.454 2.976
60 1HB CYS 9 1HB CYS 9 2.212 2.800 0.899
61 2HB CYS 9 2HB CYS 9 3.834 3.222 1.444
62 H ASP 10 H ASP 10 1.913 2.031 4.765
63 HA ASP 10 HA ASP 10 3.596 3.590 6.687
64 1HB ASP 10 1HB ASP 10 1.298 3.536 7.314
65 2HB ASP 10 2HB ASP 10 1.185 1.792 7.050
66 HD2 ASP 10 HD2 ASP 10 3.287 3.071 10.297
67 H PHE 11 H PHE 11 2.537 0.145 6.409
68 HA PHE 11 HA PHE 11 5.272 -0.761 7.140
69 1HB PHE 11 1HB PHE 11 2.711 -2.282 6.628
70 2HB PHE 11 2HB PHE 11 4.223 -2.962 7.223
71 HD1 PHE 11 HD1 PHE 11 4.824 -0.712 9.318
72 HD2 PHE 11 HD2 PHE 11 1.324 -3.067 8.385
73 HE1 PHE 11 HE1 PHE 11 4.032 -0.459 11.630
74 HE2 PHE 11 HE2 PHE 11 0.541 -2.815 10.710
75 HZ PHE 11 HZ PHE 11 1.870 -1.469 12.339
76 H CYS 12 H CYS 12 6.615 -0.831 5.452
77 HA CYS 12 HA CYS 12 5.605 -1.955 2.898
78 1HB CYS 12 1HB CYS 12 5.956 0.537 2.855
79 2HB CYS 12 2HB CYS 12 7.685 0.216 2.907
80 HA PRO 13 HA PRO 13 9.326 -4.401 4.264
81 1HB PRO 13 1HB PRO 13 8.216 -6.900 4.148
82 2HB PRO 13 2HB PRO 13 8.083 -5.844 5.585
83 1HG PRO 13 1HG PRO 13 6.062 -6.167 3.345
84 2HG PRO 13 2HG PRO 13 5.774 -6.291 5.110
85 1HD PRO 13 1HD PRO 13 5.278 -3.995 3.771
86 2HD PRO 13 2HD PRO 13 6.029 -3.944 5.393
87 H CYS 14 H CYS 14 10.542 -5.846 2.891
88 HA CYS 14 HA CYS 14 9.611 -6.099 0.102
89 1HB CYS 14 1HB CYS 14 12.392 -5.162 0.904
90 2HB CYS 14 2HB CYS 14 11.693 -5.197 -0.708
91 H THR 15 H THR 15 10.837 -7.601 -1.181
92 HA THR 15 HA THR 15 11.703 -9.964 0.318
93 HB THR 15 HB THR 15 11.940 -10.932 -1.920
94 HG1 THR 15 HG1 THR 15 11.908 -9.746 -3.668
95 1HG2 THR 15 1HG2 THR 15 9.624 -10.881 -2.654
96 2HG2 THR 15 2HG2 THR 15 9.670 -10.898 -0.880
97 3HG2 THR 15 3HG2 THR 15 9.314 -9.388 -1.751
98 H ARG 16 H ARG 16 13.783 -10.964 -0.263
99 HA ARG 16 HA ARG 16 15.959 -9.008 -0.920
100 1HB ARG 16 1HB ARG 16 16.100 -11.477 0.846
101 2HB ARG 16 2HB ARG 16 17.427 -10.381 0.412
102 1HG ARG 16 1HG ARG 16 16.128 -8.489 1.496
103 2HG ARG 16 2HG ARG 16 14.941 -9.683 2.046
104 1HD ARG 16 1HD ARG 16 16.436 -9.318 3.883
105 2HD ARG 16 2HD ARG 16 16.783 -10.915 3.225
106 HE ARG 16 HE ARG 16 18.876 -10.231 2.569
107 1HH1 ARG 16 1HH1 ARG 16 16.979 -7.333 3.371
108 2HH1 ARG 16 2HH1 ARG 16 18.365 -6.274 3.363
109 1HH2 ARG 16 1HH2 ARG 16 20.677 -8.824 2.551
110 2HH2 ARG 16 2HH2 ARG 16 20.473 -7.124 2.885
111 H SER 17 H SER 17 14.236 -10.456 -2.796
112 HA SER 17 HA SER 17 15.975 -12.416 -4.089
113 1HB SER 17 1HB SER 17 14.193 -12.042 -5.915
114 2HB SER 17 2HB SER 17 13.680 -12.797 -4.412
115 HG SER 17 HG SER 17 12.296 -11.106 -5.183
116 H ILE 18 H ILE 18 16.240 -11.853 -6.512
117 HA ILE 18 HA ILE 18 17.272 -9.087 -6.872
118 HB ILE 18 HB ILE 18 18.637 -11.642 -7.655
119 1HG1 ILE 18 1HG1 ILE 18 19.016 -10.987 -5.296
120 2HG1 ILE 18 2HG1 ILE 18 20.473 -10.920 -6.281
121 1HG2 ILE 18 1HG2 ILE 18 19.211 -8.775 -8.464
122 2HG2 ILE 18 2HG2 ILE 18 20.422 -10.073 -8.561
123 3HG2 ILE 18 3HG2 ILE 18 18.939 -10.177 -9.513
124 1HD1 ILE 18 1HD1 ILE 18 18.815 -8.483 -5.474
125 2HD1 ILE 18 2HD1 ILE 18 20.337 -9.010 -4.753
126 3HD1 ILE 18 3HD1 ILE 18 20.309 -8.462 -6.435
127 HA PRO 19 HA PRO 19 16.666 -7.454 -8.011
128 1HB PRO 19 1HB PRO 19 14.438 -6.087 -8.851
129 2HB PRO 19 2HB PRO 19 15.872 -6.371 -9.878
130 1HG PRO 19 1HG PRO 19 13.298 -7.970 -9.812
131 2HG PRO 19 2HG PRO 19 14.156 -7.326 -11.243
132 1HD PRO 19 1HD PRO 19 14.459 -9.908 -10.411
133 2HD PRO 19 2HD PRO 19 15.841 -8.991 -11.073
134 HA PRO 20 HA PRO 20 13.757 -8.099 -4.551
135 1HB PRO 20 1HB PRO 20 14.126 -5.883 -3.070
136 2HB PRO 20 2HB PRO 20 15.442 -7.066 -3.329
137 1HG PRO 20 1HG PRO 20 14.974 -4.472 -4.837
138 2HG PRO 20 2HG PRO 20 16.494 -5.039 -4.087
139 1HD PRO 20 1HD PRO 20 15.927 -5.403 -6.754
140 2HD PRO 20 2HD PRO 20 16.866 -6.597 -5.808
141 H GLN 21 H GLN 21 11.654 -7.598 -3.972
142 HA GLN 21 HA GLN 21 10.227 -5.399 -5.408
143 1HB GLN 21 1HB GLN 21 9.478 -8.288 -4.789
144 2HB GLN 21 2HB GLN 21 8.274 -7.040 -5.063
145 1HG GLN 21 1HG GLN 21 8.644 -8.230 -7.138
146 2HG GLN 21 2HG GLN 21 9.188 -6.555 -7.299
147 1HE2 GLN 21 1HE2 GLN 21 10.586 -9.684 -6.107
148 2HE2 GLN 21 2HE2 GLN 21 12.112 -9.495 -6.957
149 H CYS 22 H CYS 22 9.223 -4.014 -4.094
150 HA CYS 22 HA CYS 22 8.855 -4.648 -1.208
151 1HB CYS 22 1HB CYS 22 8.976 -1.981 -2.613
152 2HB CYS 22 2HB CYS 22 8.647 -2.223 -0.909
153 H GLN 23 H GLN 23 6.888 -4.369 -0.297
154 HA GLN 23 HA GLN 23 4.544 -3.691 -1.979
155 1HB GLN 23 1HB GLN 23 3.453 -5.699 -1.207
156 2HB GLN 23 2HB GLN 23 4.930 -6.139 -2.080
157 1HG GLN 23 1HG GLN 23 6.087 -6.601 0.036
158 2HG GLN 23 2HG GLN 23 4.689 -6.040 0.965
159 1HE2 GLN 23 1HE2 GLN 23 5.700 -8.525 -1.421
160 2HE2 GLN 23 2HE2 GLN 23 4.522 -9.717 -0.909
161 H CYS 24 H CYS 24 2.622 -3.307 -0.641
162 HA CYS 24 HA CYS 24 3.306 -2.189 2.040
163 1HB CYS 24 1HB CYS 24 1.250 -1.475 -0.045
164 2HB CYS 24 2HB CYS 24 1.172 -0.883 1.623
165 H THR 25 H THR 25 2.496 -3.138 3.777
166 HA THR 25 HA THR 25 0.487 -5.321 3.441
167 HB THR 25 HB THR 25 1.519 -6.175 5.545
168 HG1 THR 25 HG1 THR 25 3.506 -5.227 6.141
169 1HG2 THR 25 1HG2 THR 25 2.249 -6.958 3.299
170 2HG2 THR 25 2HG2 THR 25 3.498 -5.692 3.276
171 3HG2 THR 25 3HG2 THR 25 3.559 -6.986 4.496
172 H ASP 26 H ASP 26 0.909 -2.153 4.924
173 HA ASP 26 HA ASP 26 -0.818 -2.475 7.115
174 1HB ASP 26 1HB ASP 26 -1.037 0.012 6.867
175 2HB ASP 26 2HB ASP 26 0.593 -0.618 7.027
176 HD2 ASP 26 HD2 ASP 26 -0.630 1.086 3.537
177 H VAL 27 H VAL 27 -2.928 -2.071 7.382
178 HA VAL 27 HA VAL 27 -4.705 -2.236 4.977
179 HB VAL 27 HB VAL 27 -5.044 -3.426 7.766
180 1HG1 VAL 27 1HG1 VAL 27 -7.044 -4.540 6.704
181 2HG1 VAL 27 2HG1 VAL 27 -7.208 -2.791 6.904
182 3HG1 VAL 27 3HG1 VAL 27 -6.835 -3.472 5.299
183 1HG2 VAL 27 1HG2 VAL 27 -3.407 -4.691 6.429
184 2HG2 VAL 27 2HG2 VAL 27 -4.916 -5.596 6.557
185 3HG2 VAL 27 3HG2 VAL 27 -4.533 -4.731 5.055
186 H ARG 28 H ARG 28 -6.405 -0.775 4.859
187 HA ARG 28 HA ARG 28 -7.117 0.945 7.100
188 1HB ARG 28 1HB ARG 28 -4.810 1.689 5.902
189 2HB ARG 28 2HB ARG 28 -5.924 2.452 4.773
190 1HG ARG 28 1HG ARG 28 -6.980 3.623 6.786
191 2HG ARG 28 2HG ARG 28 -5.765 2.850 7.807
192 1HD ARG 28 1HD ARG 28 -5.145 4.737 5.482
193 2HD ARG 28 2HD ARG 28 -5.231 5.202 7.175
194 HE ARG 28 HE ARG 28 -3.274 4.104 7.699
195 1HH1 ARG 28 1HH1 ARG 28 -4.005 3.596 4.247
196 2HH1 ARG 28 2HH1 ARG 28 -2.394 3.047 3.874
197 1HH2 ARG 28 1HH2 ARG 28 -1.196 3.339 7.183
198 2HH2 ARG 28 2HH2 ARG 28 -0.813 2.864 5.547
199 H GLU 29 H GLU 29 -8.096 3.095 5.312
200 HA GLU 29 HA GLU 29 -10.352 1.807 4.029
201 1HB GLU 29 1HB GLU 29 -10.022 4.179 5.302
202 2HB GLU 29 2HB GLU 29 -9.612 4.716 3.682
203 1HG GLU 29 1HG GLU 29 -11.930 5.083 4.041
204 2HG GLU 29 2HG GLU 29 -11.847 3.689 2.942
205 HE2 GLU 29 HE2 GLU 29 -13.448 1.546 5.160
206 H LYS 30 H LYS 30 -10.280 3.778 1.761
207 HA LYS 30 HA LYS 30 -9.376 1.963 -0.137
208 1HB LYS 30 1HB LYS 30 -9.628 4.932 -0.590
209 2HB LYS 30 2HB LYS 30 -9.807 3.643 -1.771
210 1HG LYS 30 1HG LYS 30 -12.023 3.681 -1.449
211 2HG LYS 30 2HG LYS 30 -11.731 2.956 0.122
212 1HD LYS 30 1HD LYS 30 -13.020 4.794 0.678
213 2HD LYS 30 2HD LYS 30 -11.405 5.451 0.949
214 1HE LYS 30 1HE LYS 30 -13.148 5.825 -1.545
215 2HE LYS 30 2HE LYS 30 -12.906 7.021 -0.264
216 1HZ LYS 30 1HZ LYS 30 -10.617 7.145 -0.849
217 2HZ LYS 30 2HZ LYS 30 -10.786 5.980 -2.004
218 3HZ LYS 30 3HZ LYS 30 -11.542 7.431 -2.184
219 H CYS 31 H CYS 31 -7.776 2.230 -1.830
220 HA CYS 31 HA CYS 31 -5.179 2.514 -0.692
221 1HB CYS 31 1HB CYS 31 -6.024 2.060 -3.570
222 2HB CYS 31 2HB CYS 31 -4.435 1.809 -2.875
223 H HIS 32 H HIS 32 -3.402 3.690 -1.869
224 HA HIS 32 HA HIS 32 -4.109 6.469 -1.712
225 1HB HIS 32 1HB HIS 32 -1.761 6.917 -1.821
226 2HB HIS 32 2HB HIS 32 -2.130 5.709 -0.645
227 HD1 HIS 32 HD1 HIS 32 -0.168 6.288 -3.806
228 HD2 HIS 32 HD2 HIS 32 -1.134 3.142 -1.193
229 HE1 HIS 32 HE1 HIS 32 1.368 4.339 -4.386
230 HE2 HIS 32 HE2 HIS 32 0.801 2.404 -2.797
231 H SER 33 H SER 33 -3.035 8.025 -3.123
232 HA SER 33 HA SER 33 -4.455 8.124 -5.519
233 1HB SER 33 1HB SER 33 -3.718 10.075 -4.240
234 2HB SER 33 2HB SER 33 -2.044 9.758 -4.740
235 HG SER 33 HG SER 33 -2.854 9.970 -6.938
236 H ALA 34 H ALA 34 -1.337 6.712 -4.991
237 HA ALA 34 HA ALA 34 -0.916 6.379 -7.936
238 1HB ALA 34 1HB ALA 34 0.746 7.909 -6.773
239 2HB ALA 34 2HB ALA 34 1.244 6.502 -5.805
240 3HB ALA 34 3HB ALA 34 1.461 6.491 -7.566
241 H CYS 35 H CYS 35 -2.453 4.658 -6.098
242 HA CYS 35 HA CYS 35 -0.802 2.200 -6.015
243 1HB CYS 35 1HB CYS 35 -2.369 2.762 -4.136
244 2HB CYS 35 2HB CYS 35 -3.714 2.570 -5.269
245 H LYS 36 H LYS 36 -1.057 0.553 -7.525
246 HA LYS 36 HA LYS 36 -2.639 1.158 -9.954
247 1HB LYS 36 1HB LYS 36 -0.300 -0.724 -9.420
248 2HB LYS 36 2HB LYS 36 -1.130 -0.493 -10.960
249 1HG LYS 36 1HG LYS 36 -0.492 1.963 -10.855
250 2HG LYS 36 2HG LYS 36 0.507 1.573 -9.436
251 1HD LYS 36 1HD LYS 36 1.712 -0.149 -10.834
252 2HD LYS 36 2HD LYS 36 0.753 0.371 -12.234
253 1HE LYS 36 1HE LYS 36 1.686 2.688 -11.963
254 2HE LYS 36 2HE LYS 36 2.708 2.090 -10.640
255 1HZ LYS 36 1HZ LYS 36 3.718 0.581 -12.204
256 2HZ LYS 36 2HZ LYS 36 2.767 1.148 -13.424
257 3HZ LYS 36 3HZ LYS 36 3.874 2.140 -12.715
258 H SER 37 H SER 37 -1.770 -1.560 -7.814
259 HA SER 37 HA SER 37 -4.316 -2.968 -8.539
260 1HB SER 37 1HB SER 37 -2.275 -4.269 -8.984
261 2HB SER 37 2HB SER 37 -1.778 -4.085 -7.291
262 HG SER 37 HG SER 37 -4.143 -5.326 -8.269
263 H CYS 38 H CYS 38 -5.822 -2.732 -7.065
264 HA CYS 38 HA CYS 38 -5.168 -2.354 -4.168
265 1HB CYS 38 1HB CYS 38 -5.859 -0.220 -5.239
266 2HB CYS 38 2HB CYS 38 -7.349 -0.995 -5.792
267 H LEU 39 H LEU 39 -6.421 -3.596 -2.792
268 HA LEU 39 HA LEU 39 -8.784 -4.998 -3.855
269 1HB LEU 39 1HB LEU 39 -6.599 -6.437 -4.201
270 2HB LEU 39 2HB LEU 39 -6.635 -6.590 -2.442
271 HG LEU 39 HG LEU 39 -8.948 -7.597 -2.630
272 1HD1 LEU 39 1HD1 LEU 39 -8.214 -7.650 -5.597
273 2HD1 LEU 39 2HD1 LEU 39 -9.540 -8.567 -4.856
274 3HD1 LEU 39 3HD1 LEU 39 -9.603 -6.802 -4.882
275 1HD2 LEU 39 1HD2 LEU 39 -6.674 -9.019 -4.064
276 2HD2 LEU 39 2HD2 LEU 39 -6.913 -8.945 -2.305
277 3HD2 LEU 39 3HD2 LEU 39 -8.092 -9.787 -3.321
278 H CYS 40 H CYS 40 -10.154 -5.823 -2.183
279 HA CYS 40 HA CYS 40 -9.534 -4.902 0.562
280 1HB CYS 40 1HB CYS 40 -12.257 -4.672 -0.738
281 2HB CYS 40 2HB CYS 40 -11.740 -3.943 0.771
282 H THR 41 H THR 41 -10.798 -5.941 2.203
283 HA THR 41 HA THR 41 -11.110 -8.813 1.507
284 HB THR 41 HB THR 41 -9.629 -8.272 3.377
285 HG1 THR 41 HG1 THR 41 -10.985 -9.661 4.887
286 1HG2 THR 41 1HG2 THR 41 -12.152 -7.274 4.777
287 2HG2 THR 41 2HG2 THR 41 -10.579 -7.570 5.541
288 3HG2 THR 41 3HG2 THR 41 -10.742 -6.296 4.326
289 H ARG 42 H ARG 42 -12.944 -10.008 2.149
290 HA ARG 42 HA ARG 42 -15.479 -8.508 2.111
291 1HB ARG 42 1HB ARG 42 -16.493 -10.645 1.671
292 2HB ARG 42 2HB ARG 42 -15.201 -10.297 0.516
293 1HG ARG 42 1HG ARG 42 -13.695 -11.828 1.699
294 2HG ARG 42 2HG ARG 42 -14.951 -12.152 2.922
295 1HD ARG 42 1HD ARG 42 -16.417 -13.109 1.218
296 2HD ARG 42 2HD ARG 42 -15.278 -12.639 -0.065
297 HE ARG 42 HE ARG 42 -13.960 -14.307 1.846
298 1HH1 ARG 42 1HH1 ARG 42 -16.349 -14.471 -0.777
299 2HH1 ARG 42 2HH1 ARG 42 -15.937 -16.106 -1.225
300 1HH2 ARG 42 1HH2 ARG 42 -13.429 -16.459 1.248
301 2HH2 ARG 42 2HH2 ARG 42 -14.272 -17.243 -0.063
302 H SER 43 H SER 43 -13.444 -8.964 4.558
303 HA SER 43 HA SER 43 -14.987 -10.255 6.536
304 1HB SER 43 1HB SER 43 -12.955 -8.021 6.879
305 2HB SER 43 2HB SER 43 -13.416 -9.250 8.057
306 HG SER 43 HG SER 43 -11.499 -9.853 7.057
307 H PHE 44 H PHE 44 -15.638 -8.884 8.547
308 HA PHE 44 HA PHE 44 -17.157 -6.451 7.739
309 1HB PHE 44 1HB PHE 44 -18.678 -8.326 7.926
310 2HB PHE 44 2HB PHE 44 -18.135 -8.639 9.572
311 HD1 PHE 44 HD1 PHE 44 -18.943 -7.270 11.428
312 HD2 PHE 44 HD2 PHE 44 -19.837 -6.165 7.354
313 HE1 PHE 44 HE1 PHE 44 -20.543 -5.560 12.238
314 HE2 PHE 44 HE2 PHE 44 -21.435 -4.455 8.173
315 HZ PHE 44 HZ PHE 44 -21.791 -4.149 10.615
316 HA PRO 45 HA PRO 45 -17.052 -4.355 8.221
317 1HB PRO 45 1HB PRO 45 -15.289 -2.301 8.484
318 2HB PRO 45 2HB PRO 45 -16.673 -2.565 9.578
319 1HG PRO 45 1HG PRO 45 -13.806 -3.458 10.030
320 2HG PRO 45 2HG PRO 45 -14.848 -2.521 11.142
321 1HD PRO 45 1HD PRO 45 -14.601 -5.217 11.365
322 2HD PRO 45 2HD PRO 45 -16.194 -4.440 11.598
323 HA PRO 46 HA PRO 46 -13.843 -5.520 5.184
324 1HB PRO 46 1HB PRO 46 -14.764 -4.290 2.971
325 2HB PRO 46 2HB PRO 46 -15.695 -5.593 3.761
326 1HG PRO 46 1HG PRO 46 -16.113 -2.606 4.053
327 2HG PRO 46 2HG PRO 46 -17.336 -3.863 3.729
328 1HD PRO 46 1HD PRO 46 -16.805 -2.896 6.260
329 2HD PRO 46 2HD PRO 46 -17.337 -4.577 5.949
330 H GLN 47 H GLN 47 -11.785 -4.689 5.069
331 HA GLN 47 HA GLN 47 -11.371 -1.740 4.808
332 1HB GLN 47 1HB GLN 47 -9.746 -3.930 6.168
333 2HB GLN 47 2HB GLN 47 -9.067 -2.394 5.649
334 1HG GLN 47 1HG GLN 47 -9.606 -2.212 7.988
335 2HG GLN 47 2HG GLN 47 -10.654 -1.138 7.052
336 1HE2 GLN 47 1HE2 GLN 47 -10.584 -4.558 8.247
337 2HE2 GLN 47 2HE2 GLN 47 -12.288 -4.614 8.663
338 H CYS 48 H CYS 48 -9.555 -1.140 3.484
339 HA CYS 48 HA CYS 48 -9.048 -3.006 1.231
340 1HB CYS 48 1HB CYS 48 -9.365 -0.018 1.343
341 2HB CYS 48 2HB CYS 48 -8.781 -0.888 -0.069
342 H ARG 49 H ARG 49 -7.017 -2.746 0.148
343 HA ARG 49 HA ARG 49 -4.763 -1.568 1.597
344 1HB ARG 49 1HB ARG 49 -5.123 -3.587 2.825
345 2HB ARG 49 2HB ARG 49 -5.214 -4.555 1.349
346 1HG ARG 49 1HG ARG 49 -2.683 -3.039 2.041
347 2HG ARG 49 2HG ARG 49 -3.078 -4.525 2.905
348 1HD ARG 49 1HD ARG 49 -2.629 -4.289 -0.083
349 2HD ARG 49 2HD ARG 49 -1.572 -5.014 1.101
350 HE ARG 49 HE ARG 49 -3.030 -6.827 1.427
351 1HH1 ARG 49 1HH1 ARG 49 -4.217 -4.707 -1.194
352 2HH1 ARG 49 2HH1 ARG 49 -4.841 -6.036 -2.121
353 1HH2 ARG 49 1HH2 ARG 49 -4.064 -8.505 0.272
354 2HH2 ARG 49 2HH2 ARG 49 -4.895 -8.163 -1.224
355 H CYS 50 H CYS 50 -2.975 -1.464 0.362
356 HA CYS 50 HA CYS 50 -3.493 -1.507 -2.566
357 1HB CYS 50 1HB CYS 50 -2.767 0.624 -1.595
358 2HB CYS 50 2HB CYS 50 -1.295 -0.145 -0.991
359 H TYR 51 H TYR 51 -2.710 -3.036 -3.800
360 HA TYR 51 HA TYR 51 -0.731 -4.966 -2.738
361 1HB TYR 51 1HB TYR 51 -3.149 -5.520 -3.575
362 2HB TYR 51 2HB TYR 51 -2.527 -5.209 -5.169
363 HD1 TYR 51 HD1 TYR 51 -1.732 -7.207 -2.076
364 HD2 TYR 51 HD2 TYR 51 -1.628 -7.047 -6.385
365 HE1 TYR 51 HE1 TYR 51 -0.906 -9.540 -2.143
366 HE2 TYR 51 HE2 TYR 51 -0.764 -9.365 -6.447
367 HH TYR 51 HH TYR 51 -0.175 -11.274 -3.473
368 H ASP 52 H ASP 52 -0.563 -2.204 -4.552
369 HA ASP 52 HA ASP 52 0.762 -2.929 -6.923
370 1HB ASP 52 1HB ASP 52 -0.139 -0.703 -6.431
371 2HB ASP 52 2HB ASP 52 1.061 -0.467 -5.154
372 HD2 ASP 52 HD2 ASP 52 2.894 -0.738 -8.729
373 H ILE 53 H ILE 53 2.755 -3.704 -7.301
374 HA ILE 53 HA ILE 53 4.707 -3.961 -5.064
375 HB ILE 53 HB ILE 53 4.547 -5.483 -7.695
376 1HG1 ILE 53 1HG1 ILE 53 2.548 -6.069 -6.475
377 2HG1 ILE 53 2HG1 ILE 53 3.690 -7.404 -6.464
378 1HG2 ILE 53 1HG2 ILE 53 6.074 -7.068 -6.506
379 2HG2 ILE 53 2HG2 ILE 53 6.783 -5.469 -6.765
380 3HG2 ILE 53 3HG2 ILE 53 6.175 -5.909 -5.161
381 1HD1 ILE 53 1HD1 ILE 53 3.256 -5.482 -4.132
382 2HD1 ILE 53 2HD1 ILE 53 2.597 -7.119 -4.277
383 3HD1 ILE 53 3HD1 ILE 53 4.349 -6.891 -4.159
384 H THR 54 H THR 54 6.586 -2.825 -5.237
385 HA THR 54 HA THR 54 7.547 -1.961 -7.897
386 HB THR 54 HB THR 54 8.075 0.319 -6.779
387 HG1 THR 54 HG1 THR 54 7.391 -0.261 -4.685
388 1HG2 THR 54 1HG2 THR 54 6.474 0.108 -8.629
389 2HG2 THR 54 2HG2 THR 54 5.175 -0.294 -7.475
390 3HG2 THR 54 3HG2 THR 54 5.936 1.307 -7.433
391 H ASP 55 H ASP 55 9.774 -1.461 -7.930
392 HA ASP 55 HA ASP 55 11.439 -2.911 -6.113
393 1HB ASP 55 1HB ASP 55 12.080 -0.685 -8.094
394 2HB ASP 55 2HB ASP 55 13.266 -1.720 -7.293
395 HD2 ASP 55 HD2 ASP 55 12.595 -4.517 -9.312
396 H PHE 56 H PHE 56 10.410 0.454 -6.345
397 HA PHE 56 HA PHE 56 11.906 1.259 -3.904
398 1HB PHE 56 1HB PHE 56 11.022 3.509 -4.422
399 2HB PHE 56 2HB PHE 56 11.965 2.827 -5.709
400 HD1 PHE 56 HD1 PHE 56 10.904 2.183 -7.867
401 HD2 PHE 56 HD2 PHE 56 8.589 3.890 -4.649
402 HE1 PHE 56 HE1 PHE 56 9.028 2.604 -9.431
403 HE2 PHE 56 HE2 PHE 56 6.725 4.310 -6.219
404 HZ PHE 56 HZ PHE 56 6.937 3.672 -8.612
405 H CYS 57 H CYS 57 10.382 2.843 -2.579
406 HA CYS 57 HA CYS 57 7.586 2.139 -2.565
407 1HB CYS 57 1HB CYS 57 8.645 0.437 -1.045
408 2HB CYS 57 2HB CYS 57 9.079 1.749 0.059
409 H TYR 58 H TYR 58 6.312 3.665 -1.436
410 HA TYR 58 HA TYR 58 7.383 6.341 -1.359
411 1HB TYR 58 1HB TYR 58 4.687 5.156 -0.571
412 2HB TYR 58 2HB TYR 58 5.047 6.867 -0.705
413 HD1 TYR 58 HD1 TYR 58 5.434 7.946 -2.896
414 HD2 TYR 58 HD2 TYR 58 4.358 3.779 -2.591
415 HE1 TYR 58 HE1 TYR 58 4.899 7.903 -5.318
416 HE2 TYR 58 HE2 TYR 58 3.880 3.725 -5.017
417 HH TYR 58 HH TYR 58 3.779 4.925 -6.971
418 HA PRO 59 HA PRO 59 8.429 6.322 2.958
419 1HB PRO 59 1HB PRO 59 8.191 8.942 3.701
420 2HB PRO 59 2HB PRO 59 9.397 8.381 2.512
421 1HG PRO 59 1HG PRO 59 6.655 9.543 1.940
422 2HG PRO 59 2HG PRO 59 8.224 10.078 1.263
423 1HD PRO 59 1HD PRO 59 6.608 8.373 -0.085
424 2HD PRO 59 2HD PRO 59 8.378 8.137 -0.107
425 H SER 60 H SER 60 7.546 7.311 5.204
426 HA SER 60 HA SER 60 5.288 5.863 5.811
427 1HB SER 60 1HB SER 60 5.399 7.607 7.866
428 2HB SER 60 2HB SER 60 6.410 6.174 7.673
429 HG SER 60 HG SER 60 7.575 8.159 8.121
430 H CYS 61 H CYS 61 3.218 6.235 5.988
431 HA CYS 61 HA CYS 61 2.078 8.707 4.888
432 1HB CYS 61 1HB CYS 61 1.395 6.075 4.642
433 2HB CYS 61 2HB CYS 61 0.305 6.511 5.930
434 H SER 62 H SER 62 0.009 9.383 5.910
435 HA SER 62 HA SER 62 -1.137 9.766 8.100
436 1HB SER 62 1HB SER 62 0.704 9.363 9.597
437 2HB SER 62 2HB SER 62 1.669 10.676 8.866
438 HG SER 62 HG SER 62 0.001 12.089 9.531
Start of MODEL 8
1 1H THR 1 1H THR 1 5.356 23.197 -8.849
2 2H THR 1 2H THR 1 3.714 23.006 -8.938
3 3H THR 1 3H THR 1 4.470 22.953 -7.476
4 HA THR 1 HA THR 1 4.892 21.016 -9.615
5 HB THR 1 HB THR 1 5.993 19.711 -7.798
6 HG1 THR 1 HG1 THR 1 6.592 20.933 -5.937
7 1HG2 THR 1 1HG2 THR 1 7.333 21.051 -9.408
8 2HG2 THR 1 2HG2 THR 1 7.279 22.435 -8.294
9 3HG2 THR 1 3HG2 THR 1 8.095 20.940 -7.812
10 H LYS 2 H LYS 2 4.178 18.750 -8.754
11 HA LYS 2 HA LYS 2 1.315 18.914 -8.461
12 1HB LYS 2 1HB LYS 2 3.224 16.552 -8.462
13 2HB LYS 2 2HB LYS 2 1.452 16.447 -8.533
14 1HG LYS 2 1HG LYS 2 1.498 17.854 -10.616
15 2HG LYS 2 2HG LYS 2 3.267 17.757 -10.615
16 1HD LYS 2 1HD LYS 2 1.342 15.391 -10.754
17 2HD LYS 2 2HD LYS 2 2.202 16.111 -12.126
18 1HE LYS 2 1HE LYS 2 4.386 15.539 -11.016
19 2HE LYS 2 2HE LYS 2 3.483 14.701 -9.737
20 1HZ LYS 2 1HZ LYS 2 3.421 14.022 -12.585
21 2HZ LYS 2 2HZ LYS 2 4.223 13.201 -11.404
22 3HZ LYS 2 3HZ LYS 2 2.578 13.258 -11.393
23 H SER 3 H SER 3 0.731 19.754 -6.494
24 HA SER 3 HA SER 3 1.630 18.383 -3.994
25 1HB SER 3 1HB SER 3 1.078 20.534 -2.923
26 2HB SER 3 2HB SER 3 2.318 20.711 -4.180
27 HG SER 3 HG SER 3 -0.451 21.210 -4.513
28 H THR 4 H THR 4 -0.007 16.697 -4.569
29 HA THR 4 HA THR 4 -2.463 17.240 -3.136
30 HB THR 4 HB THR 4 -3.027 17.986 -5.462
31 HG1 THR 4 HG1 THR 4 -4.561 17.086 -4.029
32 1HG2 THR 4 1HG2 THR 4 -1.557 16.337 -6.686
33 2HG2 THR 4 2HG2 THR 4 -2.712 15.057 -6.250
34 3HG2 THR 4 3HG2 THR 4 -3.228 16.409 -7.274
35 H THR 5 H THR 5 -3.771 15.163 -3.065
36 HA THR 5 HA THR 5 -3.283 13.243 -1.627
37 HB THR 5 HB THR 5 -4.301 11.529 -3.087
38 HG1 THR 5 HG1 THR 5 -3.240 12.252 -5.013
39 1HG2 THR 5 1HG2 THR 5 -5.714 13.197 -1.923
40 2HG2 THR 5 2HG2 THR 5 -5.632 14.258 -3.349
41 3HG2 THR 5 3HG2 THR 5 -6.414 12.672 -3.465
42 H THR 6 H THR 6 -1.081 13.047 -1.084
43 HA THR 6 HA THR 6 0.845 12.006 -2.965
44 HB THR 6 HB THR 6 2.314 12.038 -0.964
45 HG1 THR 6 HG1 THR 6 0.663 11.672 0.591
46 1HG2 THR 6 1HG2 THR 6 0.743 14.625 -1.354
47 2HG2 THR 6 2HG2 THR 6 2.406 14.455 -0.758
48 3HG2 THR 6 3HG2 THR 6 2.024 14.034 -2.439
49 H ALA 7 H ALA 7 1.916 10.038 -2.907
50 HA ALA 7 HA ALA 7 0.482 7.666 -2.136
51 1HB ALA 7 1HB ALA 7 2.112 7.718 -3.985
52 2HB ALA 7 2HB ALA 7 3.412 8.140 -2.849
53 3HB ALA 7 3HB ALA 7 2.626 6.559 -2.728
54 H CYS 8 H CYS 8 0.574 6.509 -0.220
55 HA CYS 8 HA CYS 8 2.935 6.646 1.401
56 1HB CYS 8 1HB CYS 8 1.885 7.286 3.492
57 2HB CYS 8 2HB CYS 8 1.985 8.586 2.356
58 H CYS 9 H CYS 9 2.790 5.348 3.291
59 HA CYS 9 HA CYS 9 0.939 3.134 3.529
60 1HB CYS 9 1HB CYS 9 1.999 2.403 1.494
61 2HB CYS 9 2HB CYS 9 3.600 2.853 2.105
62 H ASP 10 H ASP 10 1.605 1.768 5.346
63 HA ASP 10 HA ASP 10 3.593 3.088 7.153
64 1HB ASP 10 1HB ASP 10 1.304 2.965 8.003
65 2HB ASP 10 2HB ASP 10 1.259 1.218 7.739
66 HD2 ASP 10 HD2 ASP 10 2.022 1.255 11.163
67 H PHE 11 H PHE 11 2.305 -0.263 6.638
68 HA PHE 11 HA PHE 11 4.947 -1.402 7.188
69 1HB PHE 11 1HB PHE 11 2.434 -2.776 6.285
70 2HB PHE 11 2HB PHE 11 3.816 -3.491 7.120
71 HD1 PHE 11 HD1 PHE 11 4.105 -1.386 9.360
72 HD2 PHE 11 HD2 PHE 11 0.662 -3.411 7.716
73 HE1 PHE 11 HE1 PHE 11 2.888 -1.054 11.478
74 HE2 PHE 11 HE2 PHE 11 -0.561 -3.035 9.826
75 HZ PHE 11 HZ PHE 11 0.539 -1.842 11.713
76 H CYS 12 H CYS 12 6.301 -0.959 5.529
77 HA CYS 12 HA CYS 12 5.547 -1.860 2.774
78 1HB CYS 12 1HB CYS 12 5.883 0.577 2.928
79 2HB CYS 12 2HB CYS 12 7.548 0.310 3.428
80 HA PRO 13 HA PRO 13 9.147 -4.506 3.945
81 1HB PRO 13 1HB PRO 13 8.112 -6.951 3.364
82 2HB PRO 13 2HB PRO 13 7.812 -6.134 4.925
83 1HG PRO 13 1HG PRO 13 6.008 -6.187 2.497
84 2HG PRO 13 2HG PRO 13 5.568 -6.527 4.196
85 1HD PRO 13 1HD PRO 13 5.181 -4.079 3.042
86 2HD PRO 13 2HD PRO 13 5.627 -4.243 4.767
87 H CYS 14 H CYS 14 10.454 -5.672 2.413
88 HA CYS 14 HA CYS 14 9.613 -5.676 -0.405
89 1HB CYS 14 1HB CYS 14 12.360 -4.784 0.553
90 2HB CYS 14 2HB CYS 14 11.770 -4.813 -1.100
91 H THR 15 H THR 15 10.834 -7.193 -1.675
92 HA THR 15 HA THR 15 11.413 -9.627 -0.191
93 HB THR 15 HB THR 15 11.665 -10.595 -2.424
94 HG1 THR 15 HG1 THR 15 11.718 -9.380 -4.197
95 1HG2 THR 15 1HG2 THR 15 9.260 -8.707 -2.347
96 2HG2 THR 15 2HG2 THR 15 9.413 -10.201 -3.289
97 3HG2 THR 15 3HG2 THR 15 9.363 -10.272 -1.518
98 H ARG 16 H ARG 16 13.388 -10.885 -0.886
99 HA ARG 16 HA ARG 16 15.836 -9.183 -0.725
100 1HB ARG 16 1HB ARG 16 16.862 -11.056 0.350
101 2HB ARG 16 2HB ARG 16 15.389 -10.568 1.212
102 1HG ARG 16 1HG ARG 16 14.160 -12.464 0.159
103 2HG ARG 16 2HG ARG 16 15.649 -12.959 -0.675
104 1HD ARG 16 1HD ARG 16 16.756 -13.332 1.486
105 2HD ARG 16 2HD ARG 16 15.310 -12.748 2.343
106 HE ARG 16 HE ARG 16 14.595 -14.881 0.584
107 1HH1 ARG 16 1HH1 ARG 16 16.279 -14.319 3.659
108 2HH1 ARG 16 2HH1 ARG 16 15.925 -15.907 4.288
109 1HH2 ARG 16 1HH2 ARG 16 14.138 -16.956 1.416
110 2HH2 ARG 16 2HH2 ARG 16 14.699 -17.419 3.001
111 H SER 17 H SER 17 14.144 -10.500 -3.095
112 HA SER 17 HA SER 17 15.990 -12.223 -4.466
113 1HB SER 17 1HB SER 17 14.277 -11.753 -6.344
114 2HB SER 17 2HB SER 17 13.683 -12.512 -4.874
115 HG SER 17 HG SER 17 12.429 -10.689 -5.655
116 H ILE 18 H ILE 18 16.307 -11.586 -6.877
117 HA ILE 18 HA ILE 18 17.668 -8.960 -7.065
118 HB ILE 18 HB ILE 18 19.236 -10.653 -6.535
119 1HG1 ILE 18 1HG1 ILE 18 20.808 -10.492 -8.431
120 2HG1 ILE 18 2HG1 ILE 18 19.519 -9.888 -9.477
121 1HG2 ILE 18 1HG2 ILE 18 18.638 -12.222 -9.056
122 2HG2 ILE 18 2HG2 ILE 18 19.767 -12.591 -7.756
123 3HG2 ILE 18 3HG2 ILE 18 18.033 -12.674 -7.446
124 1HD1 ILE 18 1HD1 ILE 18 19.348 -7.845 -8.147
125 2HD1 ILE 18 2HD1 ILE 18 20.440 -8.514 -6.908
126 3HD1 ILE 18 3HD1 ILE 18 21.052 -8.127 -8.528
127 HA PRO 19 HA PRO 19 17.007 -7.153 -7.946
128 1HB PRO 19 1HB PRO 19 15.050 -5.562 -8.849
129 2HB PRO 19 2HB PRO 19 16.479 -5.963 -9.844
130 1HG PRO 19 1HG PRO 19 13.752 -7.294 -9.934
131 2HG PRO 19 2HG PRO 19 14.687 -6.628 -11.308
132 1HD PRO 19 1HD PRO 19 14.774 -9.279 -10.635
133 2HD PRO 19 2HD PRO 19 16.226 -8.431 -11.238
134 HA PRO 20 HA PRO 20 13.736 -7.942 -4.897
135 1HB PRO 20 1HB PRO 20 14.125 -5.948 -3.118
136 2HB PRO 20 2HB PRO 20 15.349 -7.223 -3.372
137 1HG PRO 20 1HG PRO 20 15.306 -4.444 -4.581
138 2HG PRO 20 2HG PRO 20 16.669 -5.274 -3.777
139 1HD PRO 20 1HD PRO 20 16.320 -5.233 -6.520
140 2HD PRO 20 2HD PRO 20 17.093 -6.599 -5.661
141 H GLN 21 H GLN 21 11.592 -7.359 -4.702
142 HA GLN 21 HA GLN 21 10.632 -4.813 -5.915
143 1HB GLN 21 1HB GLN 21 8.450 -6.126 -5.807
144 2HB GLN 21 2HB GLN 21 9.536 -6.408 -7.158
145 1HG GLN 21 1HG GLN 21 9.254 -8.177 -4.690
146 2HG GLN 21 2HG GLN 21 8.381 -8.419 -6.199
147 1HE2 GLN 21 1HE2 GLN 21 11.069 -7.512 -7.649
148 2HE2 GLN 21 2HE2 GLN 21 12.018 -8.975 -7.604
149 H CYS 22 H CYS 22 9.375 -3.525 -4.681
150 HA CYS 22 HA CYS 22 9.033 -4.183 -1.797
151 1HB CYS 22 1HB CYS 22 9.260 -1.585 -3.266
152 2HB CYS 22 2HB CYS 22 8.759 -1.699 -1.580
153 H GLN 23 H GLN 23 7.108 -3.895 -0.862
154 HA GLN 23 HA GLN 23 4.690 -3.356 -2.467
155 1HB GLN 23 1HB GLN 23 3.759 -5.483 -1.736
156 2HB GLN 23 2HB GLN 23 5.229 -5.782 -2.671
157 1HG GLN 23 1HG GLN 23 6.483 -6.038 -0.490
158 2HG GLN 23 2HG GLN 23 4.941 -5.885 0.372
159 1HE2 GLN 23 1HE2 GLN 23 3.150 -7.456 -0.587
160 2HE2 GLN 23 2HE2 GLN 23 3.704 -9.097 -0.847
161 H CYS 24 H CYS 24 2.753 -3.746 -0.759
162 HA CYS 24 HA CYS 24 3.584 -2.840 1.928
163 1HB CYS 24 1HB CYS 24 1.761 -1.377 0.034
164 2HB CYS 24 2HB CYS 24 1.465 -1.319 1.775
165 H THR 25 H THR 25 2.353 -3.398 3.583
166 HA THR 25 HA THR 25 0.087 -5.291 3.100
167 HB THR 25 HB THR 25 0.854 -6.507 5.083
168 HG1 THR 25 HG1 THR 25 1.939 -4.906 6.184
169 1HG2 THR 25 1HG2 THR 25 2.842 -7.556 4.157
170 2HG2 THR 25 2HG2 THR 25 1.688 -7.207 2.852
171 3HG2 THR 25 3HG2 THR 25 3.126 -6.183 3.073
172 H ASP 26 H ASP 26 0.422 -2.236 3.729
173 HA ASP 26 HA ASP 26 -0.901 -1.937 6.271
174 1HB ASP 26 1HB ASP 26 0.605 -0.277 5.255
175 2HB ASP 26 2HB ASP 26 -0.580 0.024 3.966
176 HD2 ASP 26 HD2 ASP 26 -1.103 2.713 6.226
177 H VAL 27 H VAL 27 -3.018 -1.160 6.493
178 HA VAL 27 HA VAL 27 -5.005 -1.920 4.408
179 HB VAL 27 HB VAL 27 -4.931 -3.115 7.211
180 1HG1 VAL 27 1HG1 VAL 27 -6.921 -3.268 4.912
181 2HG1 VAL 27 2HG1 VAL 27 -6.856 -4.507 6.183
182 3HG1 VAL 27 3HG1 VAL 27 -7.217 -2.822 6.594
183 1HG2 VAL 27 1HG2 VAL 27 -4.679 -5.291 5.974
184 2HG2 VAL 27 2HG2 VAL 27 -4.381 -4.362 4.490
185 3HG2 VAL 27 3HG2 VAL 27 -3.271 -4.240 5.867
186 H ARG 28 H ARG 28 -6.296 -0.186 4.245
187 HA ARG 28 HA ARG 28 -7.142 1.340 6.664
188 1HB ARG 28 1HB ARG 28 -5.658 2.549 4.309
189 2HB ARG 28 2HB ARG 28 -6.434 3.443 5.638
190 1HG ARG 28 1HG ARG 28 -4.977 2.427 7.289
191 2HG ARG 28 2HG ARG 28 -4.146 1.497 6.029
192 1HD ARG 28 1HD ARG 28 -2.927 3.476 6.741
193 2HD ARG 28 2HD ARG 28 -3.240 3.414 5.002
194 HE ARG 28 HE ARG 28 -4.373 5.256 7.048
195 1HH1 ARG 28 1HH1 ARG 28 -4.396 4.292 3.614
196 2HH1 ARG 28 2HH1 ARG 28 -5.000 5.832 3.070
197 1HH2 ARG 28 1HH2 ARG 28 -5.133 7.263 6.300
198 2HH2 ARG 28 2HH2 ARG 28 -5.427 7.521 4.600
199 H GLU 29 H GLU 29 -8.196 3.504 4.978
200 HA GLU 29 HA GLU 29 -10.534 2.233 3.811
201 1HB GLU 29 1HB GLU 29 -10.426 4.464 5.116
202 2HB GLU 29 2HB GLU 29 -9.770 5.172 3.639
203 1HG GLU 29 1HG GLU 29 -11.865 4.061 2.483
204 2HG GLU 29 2HG GLU 29 -12.444 3.784 4.124
205 HE2 GLU 29 HE2 GLU 29 -12.303 7.562 2.620
206 H LYS 30 H LYS 30 -10.013 4.705 1.671
207 HA LYS 30 HA LYS 30 -9.575 2.919 -0.455
208 1HB LYS 30 1HB LYS 30 -9.268 5.936 -0.412
209 2HB LYS 30 2HB LYS 30 -9.444 4.928 -1.845
210 1HG LYS 30 1HG LYS 30 -11.669 4.166 -1.102
211 2HG LYS 30 2HG LYS 30 -11.557 5.216 0.325
212 1HD LYS 30 1HD LYS 30 -11.368 7.202 -1.104
213 2HD LYS 30 2HD LYS 30 -11.427 6.185 -2.562
214 1HE LYS 30 1HE LYS 30 -13.690 5.401 -1.946
215 2HE LYS 30 2HE LYS 30 -13.636 6.366 -0.458
216 1HZ LYS 30 1HZ LYS 30 -14.834 7.485 -2.161
217 2HZ LYS 30 2HZ LYS 30 -13.456 8.327 -1.831
218 3HZ LYS 30 3HZ LYS 30 -13.557 7.414 -3.200
219 H CYS 31 H CYS 31 -7.940 3.182 -2.143
220 HA CYS 31 HA CYS 31 -5.341 2.678 -0.960
221 1HB CYS 31 1HB CYS 31 -5.971 2.429 -3.881
222 2HB CYS 31 2HB CYS 31 -4.910 1.476 -2.868
223 H HIS 32 H HIS 32 -3.367 3.669 -1.813
224 HA HIS 32 HA HIS 32 -3.803 6.509 -2.244
225 1HB HIS 32 1HB HIS 32 -1.499 6.809 -1.750
226 2HB HIS 32 2HB HIS 32 -2.271 5.846 -0.553
227 HD1 HIS 32 HD1 HIS 32 0.538 5.798 -3.020
228 HD2 HIS 32 HD2 HIS 32 -1.473 3.171 -0.437
229 HE1 HIS 32 HE1 HIS 32 2.013 3.743 -2.759
230 HE2 HIS 32 HE2 HIS 32 0.827 2.125 -1.159
231 H SER 33 H SER 33 -2.079 7.623 -3.518
232 HA SER 33 HA SER 33 -2.805 7.456 -6.201
233 1HB SER 33 1HB SER 33 -2.088 9.474 -5.055
234 2HB SER 33 2HB SER 33 -0.430 8.843 -4.964
235 HG SER 33 HG SER 33 -0.844 10.292 -6.739
236 H ALA 34 H ALA 34 -0.056 6.015 -4.596
237 HA ALA 34 HA ALA 34 0.992 4.934 -7.205
238 1HB ALA 34 1HB ALA 34 3.160 4.720 -6.153
239 2HB ALA 34 2HB ALA 34 2.599 6.398 -6.035
240 3HB ALA 34 3HB ALA 34 2.519 5.327 -4.617
241 H CYS 35 H CYS 35 -1.241 3.813 -6.133
242 HA CYS 35 HA CYS 35 -0.278 1.082 -5.641
243 1HB CYS 35 1HB CYS 35 -0.646 1.735 -3.434
244 2HB CYS 35 2HB CYS 35 -2.140 2.602 -3.810
245 H LYS 36 H LYS 36 -0.897 0.317 -7.521
246 HA LYS 36 HA LYS 36 -3.272 1.349 -8.925
247 1HB LYS 36 1HB LYS 36 -0.924 1.352 -9.838
248 2HB LYS 36 2HB LYS 36 -0.948 -0.407 -9.845
249 1HG LYS 36 1HG LYS 36 -2.768 -0.478 -11.443
250 2HG LYS 36 2HG LYS 36 -2.964 1.287 -11.373
251 1HD LYS 36 1HD LYS 36 -0.702 1.598 -12.290
252 2HD LYS 36 2HD LYS 36 -0.442 -0.158 -12.308
253 1HE LYS 36 1HE LYS 36 -2.280 -0.436 -13.936
254 2HE LYS 36 2HE LYS 36 -2.615 1.305 -13.878
255 1HZ LYS 36 1HZ LYS 36 -0.420 1.689 -14.744
256 2HZ LYS 36 2HZ LYS 36 -0.131 0.069 -14.837
257 3HZ LYS 36 3HZ LYS 36 -1.308 0.753 -15.766
258 H SER 37 H SER 37 -1.751 -1.579 -7.761
259 HA SER 37 HA SER 37 -4.223 -3.193 -8.277
260 1HB SER 37 1HB SER 37 -2.049 -4.131 -9.037
261 2HB SER 37 2HB SER 37 -1.485 -4.143 -7.357
262 HG SER 37 HG SER 37 -2.390 -6.139 -7.937
263 H CYS 38 H CYS 38 -5.542 -3.492 -6.623
264 HA CYS 38 HA CYS 38 -4.714 -3.339 -3.817
265 1HB CYS 38 1HB CYS 38 -5.062 -0.949 -4.712
266 2HB CYS 38 2HB CYS 38 -6.759 -1.379 -4.927
267 H LEU 39 H LEU 39 -6.258 -4.318 -2.482
268 HA LEU 39 HA LEU 39 -8.772 -5.318 -3.670
269 1HB LEU 39 1HB LEU 39 -7.062 -6.984 -4.271
270 2HB LEU 39 2HB LEU 39 -6.569 -7.104 -2.576
271 HG LEU 39 HG LEU 39 -8.752 -8.094 -1.997
272 1HD1 LEU 39 1HD1 LEU 39 -9.350 -7.897 -4.987
273 2HD1 LEU 39 2HD1 LEU 39 -10.299 -8.821 -3.806
274 3HD1 LEU 39 3HD1 LEU 39 -10.233 -7.062 -3.694
275 1HD2 LEU 39 1HD2 LEU 39 -7.446 -9.452 -4.394
276 2HD2 LEU 39 2HD2 LEU 39 -6.833 -9.519 -2.736
277 3HD2 LEU 39 3HD2 LEU 39 -8.406 -10.239 -3.126
278 H CYS 40 H CYS 40 -10.313 -5.723 -2.170
279 HA CYS 40 HA CYS 40 -9.682 -4.931 0.628
280 1HB CYS 40 1HB CYS 40 -12.368 -4.656 -0.702
281 2HB CYS 40 2HB CYS 40 -11.799 -3.826 0.737
282 H THR 41 H THR 41 -10.935 -5.767 2.306
283 HA THR 41 HA THR 41 -11.258 -8.679 1.887
284 HB THR 41 HB THR 41 -9.785 -7.912 3.680
285 HG1 THR 41 HG1 THR 41 -10.769 -9.885 3.894
286 1HG2 THR 41 1HG2 THR 41 -10.728 -7.015 5.765
287 2HG2 THR 41 2HG2 THR 41 -10.922 -5.876 4.430
288 3HG2 THR 41 3HG2 THR 41 -12.315 -6.820 4.994
289 H ARG 42 H ARG 42 -13.040 -9.835 2.721
290 HA ARG 42 HA ARG 42 -15.638 -8.449 2.531
291 1HB ARG 42 1HB ARG 42 -16.514 -10.751 2.447
292 2HB ARG 42 2HB ARG 42 -15.389 -10.376 1.137
293 1HG ARG 42 1HG ARG 42 -13.631 -11.641 2.107
294 2HG ARG 42 2HG ARG 42 -14.481 -11.802 3.658
295 1HD ARG 42 1HD ARG 42 -15.465 -12.945 1.006
296 2HD ARG 42 2HD ARG 42 -14.507 -13.870 2.162
297 HE ARG 42 HE ARG 42 -17.332 -13.199 2.312
298 1HH1 ARG 42 1HH1 ARG 42 -14.500 -14.055 4.281
299 2HH1 ARG 42 2HH1 ARG 42 -15.452 -14.604 5.635
300 1HH2 ARG 42 1HH2 ARG 42 -18.564 -13.904 4.108
301 2HH2 ARG 42 2HH2 ARG 42 -17.770 -14.515 5.535
302 H SER 43 H SER 43 -13.573 -8.502 4.982
303 HA SER 43 HA SER 43 -15.107 -9.663 7.094
304 1HB SER 43 1HB SER 43 -12.907 -7.560 7.233
305 2HB SER 43 2HB SER 43 -13.440 -8.664 8.504
306 HG SER 43 HG SER 43 -12.129 -9.353 6.091
307 H PHE 44 H PHE 44 -15.495 -8.016 9.036
308 HA PHE 44 HA PHE 44 -16.840 -5.548 8.074
309 1HB PHE 44 1HB PHE 44 -18.512 -7.233 8.574
310 2HB PHE 44 2HB PHE 44 -17.838 -7.464 10.184
311 HD1 PHE 44 HD1 PHE 44 -18.525 -6.049 11.993
312 HD2 PHE 44 HD2 PHE 44 -19.428 -4.913 7.930
313 HE1 PHE 44 HE1 PHE 44 -19.958 -4.204 12.823
314 HE2 PHE 44 HE2 PHE 44 -20.838 -3.052 8.769
315 HZ PHE 44 HZ PHE 44 -21.105 -2.696 11.214
316 HA PRO 45 HA PRO 45 -16.647 -3.438 8.450
317 1HB PRO 45 1HB PRO 45 -14.837 -1.415 8.380
318 2HB PRO 45 2HB PRO 45 -16.068 -1.589 9.664
319 1HG PRO 45 1HG PRO 45 -13.171 -2.469 9.752
320 2HG PRO 45 2HG PRO 45 -14.068 -1.518 10.973
321 1HD PRO 45 1HD PRO 45 -13.744 -4.226 11.201
322 2HD PRO 45 2HD PRO 45 -15.254 -3.426 11.721
323 HA PRO 46 HA PRO 46 -13.885 -4.978 5.188
324 1HB PRO 46 1HB PRO 46 -15.005 -3.869 2.982
325 2HB PRO 46 2HB PRO 46 -15.820 -5.139 3.938
326 1HG PRO 46 1HG PRO 46 -16.279 -2.145 4.100
327 2HG PRO 46 2HG PRO 46 -17.497 -3.443 3.967
328 1HD PRO 46 1HD PRO 46 -16.762 -2.320 6.371
329 2HD PRO 46 2HD PRO 46 -17.242 -4.037 6.222
330 H GLN 47 H GLN 47 -11.837 -4.193 4.997
331 HA GLN 47 HA GLN 47 -11.344 -1.320 4.366
332 1HB GLN 47 1HB GLN 47 -9.838 -3.361 6.056
333 2HB GLN 47 2HB GLN 47 -9.166 -1.809 5.574
334 1HG GLN 47 1HG GLN 47 -11.682 -2.184 7.267
335 2HG GLN 47 2HG GLN 47 -10.068 -1.858 7.898
336 1HE2 GLN 47 1HE2 GLN 47 -12.771 -0.500 6.010
337 2HE2 GLN 47 2HE2 GLN 47 -12.262 1.167 6.176
338 H CYS 48 H CYS 48 -9.462 -0.907 3.068
339 HA CYS 48 HA CYS 48 -9.027 -3.072 1.102
340 1HB CYS 48 1HB CYS 48 -8.896 -0.109 0.737
341 2HB CYS 48 2HB CYS 48 -8.579 -1.325 -0.479
342 H ARG 49 H ARG 49 -7.111 -3.545 0.362
343 HA ARG 49 HA ARG 49 -4.755 -2.862 2.050
344 1HB ARG 49 1HB ARG 49 -5.170 -5.535 0.801
345 2HB ARG 49 2HB ARG 49 -4.267 -5.104 2.248
346 1HG ARG 49 1HG ARG 49 -6.498 -4.714 3.389
347 2HG ARG 49 2HG ARG 49 -7.315 -5.287 1.939
348 1HD ARG 49 1HD ARG 49 -5.401 -6.813 3.715
349 2HD ARG 49 2HD ARG 49 -7.142 -7.091 3.555
350 HE ARG 49 HE ARG 49 -5.020 -8.137 1.928
351 1HH1 ARG 49 1HH1 ARG 49 -8.372 -6.994 1.581
352 2HH1 ARG 49 2HH1 ARG 49 -8.674 -7.961 0.161
353 1HH2 ARG 49 1HH2 ARG 49 -5.421 -9.328 0.051
354 2HH2 ARG 49 2HH2 ARG 49 -6.993 -9.293 -0.707
355 H CYS 50 H CYS 50 -2.911 -2.355 0.764
356 HA CYS 50 HA CYS 50 -3.275 -2.223 -2.122
357 1HB CYS 50 1HB CYS 50 -1.182 -1.323 -0.151
358 2HB CYS 50 2HB CYS 50 -0.755 -1.479 -1.851
359 H TYR 51 H TYR 51 -2.445 -3.481 -3.650
360 HA TYR 51 HA TYR 51 -0.931 -5.935 -2.872
361 1HB TYR 51 1HB TYR 51 -3.539 -5.663 -3.961
362 2HB TYR 51 2HB TYR 51 -2.545 -6.053 -5.337
363 HD1 TYR 51 HD1 TYR 51 -3.894 -7.210 -2.117
364 HD2 TYR 51 HD2 TYR 51 -1.402 -8.258 -5.477
365 HE1 TYR 51 HE1 TYR 51 -4.103 -9.615 -1.533
366 HE2 TYR 51 HE2 TYR 51 -1.633 -10.656 -4.899
367 HH TYR 51 HH TYR 51 -2.569 -12.203 -3.450
368 H ASP 52 H ASP 52 -0.224 -3.066 -3.907
369 HA ASP 52 HA ASP 52 0.559 -3.426 -6.647
370 1HB ASP 52 1HB ASP 52 -0.345 -1.334 -5.588
371 2HB ASP 52 2HB ASP 52 1.184 -1.156 -4.713
372 HD2 ASP 52 HD2 ASP 52 2.840 0.147 -7.481
373 H ILE 53 H ILE 53 2.641 -3.252 -7.508
374 HA ILE 53 HA ILE 53 4.944 -3.847 -5.704
375 HB ILE 53 HB ILE 53 4.448 -4.693 -8.586
376 1HG1 ILE 53 1HG1 ILE 53 3.169 -6.101 -7.040
377 2HG1 ILE 53 2HG1 ILE 53 4.479 -6.978 -7.826
378 1HG2 ILE 53 1HG2 ILE 53 6.635 -5.971 -8.234
379 2HG2 ILE 53 2HG2 ILE 53 6.776 -4.218 -8.402
380 3HG2 ILE 53 3HG2 ILE 53 6.875 -4.950 -6.796
381 1HD1 ILE 53 1HD1 ILE 53 4.478 -5.965 -4.951
382 2HD1 ILE 53 2HD1 ILE 53 4.326 -7.640 -5.501
383 3HD1 ILE 53 3HD1 ILE 53 5.852 -6.779 -5.741
384 H THR 54 H THR 54 6.508 -2.371 -5.749
385 HA THR 54 HA THR 54 7.162 -1.034 -8.281
386 HB THR 54 HB THR 54 7.886 1.028 -6.875
387 HG1 THR 54 HG1 THR 54 7.477 0.217 -4.830
388 1HG2 THR 54 1HG2 THR 54 6.094 1.154 -8.537
389 2HG2 THR 54 2HG2 THR 54 4.918 0.605 -7.321
390 3HG2 THR 54 3HG2 THR 54 5.752 2.155 -7.114
391 H ASP 55 H ASP 55 9.548 -0.078 -7.852
392 HA ASP 55 HA ASP 55 11.087 -2.285 -6.693
393 1HB ASP 55 1HB ASP 55 11.693 -0.983 -8.815
394 2HB ASP 55 2HB ASP 55 12.166 0.344 -7.742
395 HD2 ASP 55 HD2 ASP 55 14.270 -3.159 -7.791
396 H PHE 56 H PHE 56 9.761 0.726 -5.641
397 HA PHE 56 HA PHE 56 11.599 0.973 -3.302
398 1HB PHE 56 1HB PHE 56 11.045 3.431 -3.540
399 2HB PHE 56 2HB PHE 56 11.996 2.735 -4.822
400 HD1 PHE 56 HD1 PHE 56 11.103 2.564 -7.111
401 HD2 PHE 56 HD2 PHE 56 8.626 4.015 -3.891
402 HE1 PHE 56 HE1 PHE 56 9.382 3.275 -8.748
403 HE2 PHE 56 HE2 PHE 56 6.928 4.753 -5.535
404 HZ PHE 56 HZ PHE 56 7.297 4.377 -7.964
405 H CYS 57 H CYS 57 10.590 2.450 -1.630
406 HA CYS 57 HA CYS 57 7.818 1.581 -0.973
407 1HB CYS 57 1HB CYS 57 10.306 2.196 0.643
408 2HB CYS 57 2HB CYS 57 8.721 2.411 1.354
409 H TYR 58 H TYR 58 6.484 3.076 0.068
410 HA TYR 58 HA TYR 58 6.723 5.847 -0.894
411 1HB TYR 58 1HB TYR 58 4.299 4.614 0.392
412 2HB TYR 58 2HB TYR 58 4.382 5.808 -0.891
413 HD1 TYR 58 HD1 TYR 58 3.705 2.428 -0.129
414 HD2 TYR 58 HD2 TYR 58 5.405 4.899 -3.219
415 HE1 TYR 58 HE1 TYR 58 3.389 0.595 -1.755
416 HE2 TYR 58 HE2 TYR 58 5.160 3.026 -4.831
417 HH TYR 58 HH TYR 58 4.751 0.701 -5.015
418 HA PRO 59 HA PRO 59 7.446 7.204 3.290
419 1HB PRO 59 1HB PRO 59 6.144 9.625 3.489
420 2HB PRO 59 2HB PRO 59 7.598 9.359 2.488
421 1HG PRO 59 1HG PRO 59 4.702 9.292 1.615
422 2HG PRO 59 2HG PRO 59 6.050 10.191 0.856
423 1HD PRO 59 1HD PRO 59 5.259 7.785 -0.114
424 2HD PRO 59 2HD PRO 59 6.996 8.191 -0.029
425 H SER 60 H SER 60 6.270 8.058 5.398
426 HA SER 60 HA SER 60 4.466 6.071 6.147
427 1HB SER 60 1HB SER 60 4.264 7.567 8.210
428 2HB SER 60 2HB SER 60 5.806 6.827 7.799
429 HG SER 60 HG SER 60 5.989 9.074 8.319
430 H CYS 61 H CYS 61 2.378 6.100 6.685
431 HA CYS 61 HA CYS 61 0.653 8.142 5.362
432 1HB CYS 61 1HB CYS 61 0.898 5.455 4.881
433 2HB CYS 61 2HB CYS 61 -0.438 5.423 5.982
434 H SER 62 H SER 62 -1.704 7.809 6.153
435 HA SER 62 HA SER 62 -3.271 8.263 7.695
436 1HB SER 62 1HB SER 62 -2.650 6.001 8.534
437 2HB SER 62 2HB SER 62 -1.490 6.743 9.647
438 HG SER 62 HG SER 62 -3.234 7.917 10.531
Start of MODEL 9
1 1H THR 1 1H THR 1 2.293 27.427 5.571
2 2H THR 1 2H THR 1 3.128 26.004 5.487
3 3H THR 1 3H THR 1 3.011 26.964 4.157
4 HA THR 1 HA THR 1 0.843 25.553 5.479
5 HB THR 1 HB THR 1 -0.106 27.549 4.755
6 HG1 THR 1 HG1 THR 1 -1.300 25.724 4.234
7 1HG2 THR 1 1HG2 THR 1 1.189 27.103 2.039
8 2HG2 THR 1 2HG2 THR 1 0.019 28.370 2.459
9 3HG2 THR 1 3HG2 THR 1 1.620 28.367 3.221
10 H LYS 2 H LYS 2 0.614 23.471 4.862
11 HA LYS 2 HA LYS 2 1.086 22.535 2.209
12 1HB LYS 2 1HB LYS 2 3.469 22.663 2.951
13 2HB LYS 2 2HB LYS 2 3.077 21.636 4.340
14 1HG LYS 2 1HG LYS 2 2.526 19.769 2.845
15 2HG LYS 2 2HG LYS 2 2.628 20.831 1.432
16 1HD LYS 2 1HD LYS 2 4.606 19.460 1.551
17 2HD LYS 2 2HD LYS 2 5.045 21.156 1.808
18 1HE LYS 2 1HE LYS 2 5.188 20.741 4.263
19 2HE LYS 2 2HE LYS 2 4.683 19.059 4.004
20 1HZ LYS 2 1HZ LYS 2 7.025 19.226 4.226
21 2HZ LYS 2 2HZ LYS 2 6.672 18.767 2.684
22 3HZ LYS 2 3HZ LYS 2 7.136 20.318 2.997
23 H SER 3 H SER 3 -0.594 21.144 2.053
24 HA SER 3 HA SER 3 -1.030 19.069 4.087
25 1HB SER 3 1HB SER 3 -3.213 21.051 3.287
26 2HB SER 3 2HB SER 3 -3.443 19.578 4.248
27 HG SER 3 HG SER 3 -1.757 20.574 5.662
28 H THR 4 H THR 4 -1.341 17.206 3.000
29 HA THR 4 HA THR 4 -2.866 16.990 0.575
30 HB THR 4 HB THR 4 -0.794 17.998 -0.355
31 HG1 THR 4 HG1 THR 4 -1.868 16.560 -1.625
32 1HG2 THR 4 1HG2 THR 4 0.860 17.250 1.313
33 2HG2 THR 4 2HG2 THR 4 0.640 15.565 0.798
34 3HG2 THR 4 3HG2 THR 4 1.323 16.759 -0.322
35 H THR 5 H THR 5 -2.254 14.631 -0.356
36 HA THR 5 HA THR 5 -1.528 12.689 1.686
37 HB THR 5 HB THR 5 -3.781 12.992 2.382
38 HG1 THR 5 HG1 THR 5 -3.003 10.872 2.243
39 1HG2 THR 5 1HG2 THR 5 -5.737 12.630 0.960
40 2HG2 THR 5 2HG2 THR 5 -4.816 14.037 0.410
41 3HG2 THR 5 3HG2 THR 5 -4.721 12.507 -0.480
42 H THR 6 H THR 6 0.099 12.901 -0.061
43 HA THR 6 HA THR 6 -0.411 11.892 -2.708
44 HB THR 6 HB THR 6 2.016 12.011 -2.915
45 HG1 THR 6 HG1 THR 6 1.986 12.559 -0.132
46 1HG2 THR 6 1HG2 THR 6 0.985 14.419 -1.374
47 2HG2 THR 6 2HG2 THR 6 2.351 14.368 -2.498
48 3HG2 THR 6 3HG2 THR 6 0.702 14.104 -3.100
49 H ALA 7 H ALA 7 1.224 10.129 -3.468
50 HA ALA 7 HA ALA 7 0.462 7.567 -2.610
51 1HB ALA 7 1HB ALA 7 2.441 6.782 -3.834
52 2HB ALA 7 2HB ALA 7 1.512 7.983 -4.764
53 3HB ALA 7 3HB ALA 7 3.031 8.454 -3.968
54 H CYS 8 H CYS 8 0.816 6.540 -0.774
55 HA CYS 8 HA CYS 8 3.334 6.839 0.771
56 1HB CYS 8 1HB CYS 8 2.208 7.367 2.761
57 2HB CYS 8 2HB CYS 8 1.693 8.545 1.593
58 H CYS 9 H CYS 9 3.005 5.475 2.754
59 HA CYS 9 HA CYS 9 1.271 3.230 2.837
60 1HB CYS 9 1HB CYS 9 2.767 2.501 0.943
61 2HB CYS 9 2HB CYS 9 4.152 2.618 2.023
62 H ASP 10 H ASP 10 1.728 1.990 4.873
63 HA ASP 10 HA ASP 10 3.317 3.623 6.792
64 1HB ASP 10 1HB ASP 10 0.915 1.788 7.039
65 2HB ASP 10 2HB ASP 10 1.847 2.365 8.422
66 HD2 ASP 10 HD2 ASP 10 0.741 5.693 8.186
67 H PHE 11 H PHE 11 2.406 0.127 6.427
68 HA PHE 11 HA PHE 11 5.173 -0.637 7.266
69 1HB PHE 11 1HB PHE 11 2.716 -2.345 6.921
70 2HB PHE 11 2HB PHE 11 4.251 -2.816 7.639
71 HD1 PHE 11 HD1 PHE 11 4.436 -0.167 9.425
72 HD2 PHE 11 HD2 PHE 11 1.421 -3.182 8.738
73 HE1 PHE 11 HE1 PHE 11 3.395 0.370 11.589
74 HE2 PHE 11 HE2 PHE 11 0.390 -2.649 10.906
75 HZ PHE 11 HZ PHE 11 1.347 -0.838 12.338
76 H CYS 12 H CYS 12 6.464 -0.816 5.497
77 HA CYS 12 HA CYS 12 5.347 -2.127 3.062
78 1HB CYS 12 1HB CYS 12 5.531 0.353 2.838
79 2HB CYS 12 2HB CYS 12 7.275 0.184 2.925
80 HA PRO 13 HA PRO 13 9.274 -4.294 4.201
81 1HB PRO 13 1HB PRO 13 8.356 -6.868 4.140
82 2HB PRO 13 2HB PRO 13 8.190 -5.810 5.571
83 1HG PRO 13 1HG PRO 13 6.118 -6.327 3.420
84 2HG PRO 13 2HG PRO 13 5.911 -6.427 5.197
85 1HD PRO 13 1HD PRO 13 5.198 -4.209 3.808
86 2HD PRO 13 2HD PRO 13 5.950 -4.067 5.417
87 H CYS 14 H CYS 14 10.556 -5.633 2.794
88 HA CYS 14 HA CYS 14 9.571 -6.001 0.037
89 1HB CYS 14 1HB CYS 14 12.271 -4.815 0.784
90 2HB CYS 14 2HB CYS 14 11.603 -4.989 -0.830
91 H THR 15 H THR 15 10.830 -7.444 -1.230
92 HA THR 15 HA THR 15 12.178 -9.582 0.291
93 HB THR 15 HB THR 15 12.283 -10.660 -1.932
94 HG1 THR 15 HG1 THR 15 12.380 -9.049 -3.365
95 1HG2 THR 15 1HG2 THR 15 9.490 -9.602 -1.307
96 2HG2 THR 15 2HG2 THR 15 9.893 -11.049 -2.250
97 3HG2 THR 15 3HG2 THR 15 10.271 -10.992 -0.518
98 H ARG 16 H ARG 16 14.350 -10.225 -0.376
99 HA ARG 16 HA ARG 16 16.070 -7.924 -1.238
100 1HB ARG 16 1HB ARG 16 16.758 -10.418 0.344
101 2HB ARG 16 2HB ARG 16 17.855 -9.090 -0.091
102 1HG ARG 16 1HG ARG 16 16.370 -7.501 1.189
103 2HG ARG 16 2HG ARG 16 15.428 -8.892 1.755
104 1HD ARG 16 1HD ARG 16 18.393 -8.391 2.238
105 2HD ARG 16 2HD ARG 16 17.085 -8.216 3.426
106 HE ARG 16 HE ARG 16 16.934 -10.841 2.424
107 1HH1 ARG 16 1HH1 ARG 16 19.226 -8.893 4.304
108 2HH1 ARG 16 2HH1 ARG 16 19.881 -10.264 5.163
109 1HH2 ARG 16 1HH2 ARG 16 17.813 -12.633 3.538
110 2HH2 ARG 16 2HH2 ARG 16 19.071 -12.402 4.725
111 H SER 17 H SER 17 14.492 -9.668 -3.032
112 HA SER 17 HA SER 17 16.345 -11.399 -4.435
113 1HB SER 17 1HB SER 17 14.356 -11.211 -6.122
114 2HB SER 17 2HB SER 17 14.094 -12.002 -4.570
115 HG SER 17 HG SER 17 12.445 -10.521 -4.944
116 H ILE 18 H ILE 18 16.381 -10.900 -6.891
117 HA ILE 18 HA ILE 18 17.276 -8.092 -7.356
118 HB ILE 18 HB ILE 18 18.606 -10.630 -8.218
119 1HG1 ILE 18 1HG1 ILE 18 19.164 -9.933 -5.907
120 2HG1 ILE 18 2HG1 ILE 18 20.539 -9.860 -7.005
121 1HG2 ILE 18 1HG2 ILE 18 18.742 -9.184 -10.121
122 2HG2 ILE 18 2HG2 ILE 18 19.139 -7.779 -9.120
123 3HG2 ILE 18 3HG2 ILE 18 20.301 -9.112 -9.305
124 1HD1 ILE 18 1HD1 ILE 18 20.516 -7.926 -5.524
125 2HD1 ILE 18 2HD1 ILE 18 20.287 -7.397 -7.194
126 3HD1 ILE 18 3HD1 ILE 18 18.908 -7.448 -6.075
127 HA PRO 19 HA PRO 19 16.344 -6.508 -8.253
128 1HB PRO 19 1HB PRO 19 14.037 -5.240 -8.968
129 2HB PRO 19 2HB PRO 19 15.404 -5.457 -10.099
130 1HG PRO 19 1HG PRO 19 12.923 -7.186 -9.847
131 2HG PRO 19 2HG PRO 19 13.607 -6.462 -11.335
132 1HD PRO 19 1HD PRO 19 14.142 -9.038 -10.587
133 2HD PRO 19 2HD PRO 19 15.394 -8.025 -11.364
134 HA PRO 20 HA PRO 20 13.713 -7.486 -4.684
135 1HB PRO 20 1HB PRO 20 13.580 -5.155 -3.338
136 2HB PRO 20 2HB PRO 20 15.122 -6.034 -3.561
137 1HG PRO 20 1HG PRO 20 14.071 -3.724 -5.232
138 2HG PRO 20 2HG PRO 20 15.674 -3.851 -4.450
139 1HD PRO 20 1HD PRO 20 15.294 -4.530 -7.060
140 2HD PRO 20 2HD PRO 20 16.401 -5.477 -6.022
141 H GLN 21 H GLN 21 11.541 -7.363 -3.974
142 HA GLN 21 HA GLN 21 9.664 -5.605 -5.492
143 1HB GLN 21 1HB GLN 21 9.449 -8.516 -4.625
144 2HB GLN 21 2HB GLN 21 8.069 -7.522 -5.058
145 1HG GLN 21 1HG GLN 21 8.396 -7.921 -7.240
146 2HG GLN 21 2HG GLN 21 10.005 -7.207 -7.175
147 1HE2 GLN 21 1HE2 GLN 21 11.852 -8.618 -6.673
148 2HE2 GLN 21 2HE2 GLN 21 11.727 -10.334 -6.973
149 H CYS 22 H CYS 22 8.821 -4.173 -4.166
150 HA CYS 22 HA CYS 22 8.562 -4.708 -1.250
151 1HB CYS 22 1HB CYS 22 8.479 -2.133 -2.800
152 2HB CYS 22 2HB CYS 22 8.276 -2.286 -1.064
153 H GLN 23 H GLN 23 6.645 -4.589 -0.298
154 HA GLN 23 HA GLN 23 4.238 -3.711 -1.747
155 1HB GLN 23 1HB GLN 23 5.013 -6.434 -1.510
156 2HB GLN 23 2HB GLN 23 3.828 -6.234 -0.220
157 1HG GLN 23 1HG GLN 23 3.453 -5.311 -3.085
158 2HG GLN 23 2HG GLN 23 3.008 -6.922 -2.502
159 1HE2 GLN 23 1HE2 GLN 23 1.285 -7.062 -0.816
160 2HE2 GLN 23 2HE2 GLN 23 0.083 -5.790 -0.726
161 H CYS 24 H CYS 24 2.371 -3.530 -0.345
162 HA CYS 24 HA CYS 24 3.133 -2.464 2.311
163 1HB CYS 24 1HB CYS 24 0.841 -2.005 0.393
164 2HB CYS 24 2HB CYS 24 0.849 -1.375 2.044
165 H THR 25 H THR 25 2.423 -3.372 4.122
166 HA THR 25 HA THR 25 0.516 -5.664 3.977
167 HB THR 25 HB THR 25 1.558 -6.341 6.117
168 HG1 THR 25 HG1 THR 25 2.400 -4.447 6.881
169 1HG2 THR 25 1HG2 THR 25 2.334 -7.211 3.923
170 2HG2 THR 25 2HG2 THR 25 3.547 -5.914 3.850
171 3HG2 THR 25 3HG2 THR 25 3.629 -7.140 5.138
172 H ASP 26 H ASP 26 1.025 -2.444 5.382
173 HA ASP 26 HA ASP 26 -0.887 -2.682 7.465
174 1HB ASP 26 1HB ASP 26 0.670 -0.812 7.333
175 2HB ASP 26 2HB ASP 26 -0.144 -0.214 5.864
176 HD2 ASP 26 HD2 ASP 26 -2.714 1.302 7.651
177 H VAL 27 H VAL 27 -2.971 -2.102 7.537
178 HA VAL 27 HA VAL 27 -4.562 -2.134 5.003
179 HB VAL 27 HB VAL 27 -5.421 -3.427 7.616
180 1HG1 VAL 27 1HG1 VAL 27 -7.091 -4.513 6.181
181 2HG1 VAL 27 2HG1 VAL 27 -7.164 -2.759 5.937
182 3HG1 VAL 27 3HG1 VAL 27 -6.371 -3.786 4.733
183 1HG2 VAL 27 1HG2 VAL 27 -4.954 -5.626 6.536
184 2HG2 VAL 27 2HG2 VAL 27 -4.106 -4.793 5.223
185 3HG2 VAL 27 3HG2 VAL 27 -3.475 -4.728 6.884
186 H ARG 28 H ARG 28 -6.332 -0.702 4.991
187 HA ARG 28 HA ARG 28 -6.901 1.055 7.263
188 1HB ARG 28 1HB ARG 28 -4.647 1.608 5.619
189 2HB ARG 28 2HB ARG 28 -5.855 2.722 5.047
190 1HG ARG 28 1HG ARG 28 -5.047 2.311 7.971
191 2HG ARG 28 2HG ARG 28 -4.336 3.520 6.910
192 1HD ARG 28 1HD ARG 28 -7.291 3.407 7.669
193 2HD ARG 28 2HD ARG 28 -6.094 4.433 8.452
194 HE ARG 28 HE ARG 28 -7.425 4.884 5.934
195 1HH1 ARG 28 1HH1 ARG 28 -4.450 5.679 7.733
196 2HH1 ARG 28 2HH1 ARG 28 -4.117 7.100 6.781
197 1HH2 ARG 28 1HH2 ARG 28 -6.946 6.672 4.675
198 2HH2 ARG 28 2HH2 ARG 28 -5.545 7.660 5.018
199 H GLU 29 H GLU 29 -7.833 3.173 5.405
200 HA GLU 29 HA GLU 29 -10.138 1.922 4.163
201 1HB GLU 29 1HB GLU 29 -9.781 4.323 5.298
202 2HB GLU 29 2HB GLU 29 -9.199 4.770 3.702
203 1HG GLU 29 1HG GLU 29 -11.540 5.280 3.952
204 2HG GLU 29 2HG GLU 29 -11.400 3.961 2.774
205 HE2 GLU 29 HE2 GLU 29 -13.378 1.799 4.611
206 H LYS 30 H LYS 30 -9.767 3.830 1.766
207 HA LYS 30 HA LYS 30 -8.897 1.760 0.074
208 1HB LYS 30 1HB LYS 30 -9.186 4.689 -0.620
209 2HB LYS 30 2HB LYS 30 -9.162 3.326 -1.733
210 1HG LYS 30 1HG LYS 30 -11.215 2.396 -0.634
211 2HG LYS 30 2HG LYS 30 -11.321 3.879 0.339
212 1HD LYS 30 1HD LYS 30 -11.443 5.239 -1.728
213 2HD LYS 30 2HD LYS 30 -11.348 3.759 -2.706
214 1HE LYS 30 1HE LYS 30 -13.442 2.930 -1.708
215 2HE LYS 30 2HE LYS 30 -13.541 4.365 -0.669
216 1HZ LYS 30 1HZ LYS 30 -13.787 5.710 -2.588
217 2HZ LYS 30 2HZ LYS 30 -13.573 4.430 -3.606
218 3HZ LYS 30 3HZ LYS 30 -14.909 4.505 -2.645
219 H CYS 31 H CYS 31 -7.318 1.853 -1.547
220 HA CYS 31 HA CYS 31 -4.636 2.229 -0.637
221 1HB CYS 31 1HB CYS 31 -4.126 1.560 -3.008
222 2HB CYS 31 2HB CYS 31 -5.056 0.430 -2.054
223 H HIS 32 H HIS 32 -3.015 3.386 -1.877
224 HA HIS 32 HA HIS 32 -3.761 6.179 -1.977
225 1HB HIS 32 1HB HIS 32 -1.387 6.610 -2.077
226 2HB HIS 32 2HB HIS 32 -1.807 5.540 -0.788
227 HD1 HIS 32 HD1 HIS 32 0.306 5.741 -3.878
228 HD2 HIS 32 HD2 HIS 32 -0.971 2.882 -1.083
229 HE1 HIS 32 HE1 HIS 32 1.771 3.675 -4.197
230 HE2 HIS 32 HE2 HIS 32 1.010 1.911 -2.505
231 H SER 33 H SER 33 -2.535 7.564 -3.508
232 HA SER 33 HA SER 33 -3.875 7.518 -5.940
233 1HB SER 33 1HB SER 33 -2.964 9.521 -4.772
234 2HB SER 33 2HB SER 33 -1.347 9.040 -5.325
235 HG SER 33 HG SER 33 -2.253 9.129 -7.492
236 H ALA 34 H ALA 34 -0.714 6.224 -5.191
237 HA ALA 34 HA ALA 34 -0.190 5.585 -8.081
238 1HB ALA 34 1HB ALA 34 2.154 5.410 -7.476
239 2HB ALA 34 2HB ALA 34 1.528 7.000 -7.010
240 3HB ALA 34 3HB ALA 34 1.776 5.737 -5.777
241 H CYS 35 H CYS 35 -2.080 4.058 -6.657
242 HA CYS 35 HA CYS 35 -0.661 1.437 -6.497
243 1HB CYS 35 1HB CYS 35 -1.735 2.201 -4.352
244 2HB CYS 35 2HB CYS 35 -3.291 2.170 -5.196
245 H LYS 36 H LYS 36 -1.199 0.034 -8.080
246 HA LYS 36 HA LYS 36 -3.264 0.868 -10.027
247 1HB LYS 36 1HB LYS 36 -0.737 0.516 -10.512
248 2HB LYS 36 2HB LYS 36 -1.095 -1.209 -10.478
249 1HG LYS 36 1HG LYS 36 -2.749 -0.949 -12.276
250 2HG LYS 36 2HG LYS 36 -2.589 0.819 -12.196
251 1HD LYS 36 1HD LYS 36 -0.200 0.635 -12.878
252 2HD LYS 36 2HD LYS 36 -0.380 -1.124 -12.990
253 1HE LYS 36 1HE LYS 36 -0.530 -0.131 -15.211
254 2HE LYS 36 2HE LYS 36 -2.094 -0.836 -14.773
255 1HZ LYS 36 1HZ LYS 36 -1.379 2.013 -14.601
256 2HZ LYS 36 2HZ LYS 36 -2.309 1.317 -15.771
257 3HZ LYS 36 3HZ LYS 36 -2.847 1.368 -14.216
258 H SER 37 H SER 37 -2.012 -2.069 -8.403
259 HA SER 37 HA SER 37 -4.593 -3.476 -8.754
260 1HB SER 37 1HB SER 37 -3.122 -5.312 -7.778
261 2HB SER 37 2HB SER 37 -2.761 -4.814 -9.432
262 HG SER 37 HG SER 37 -1.029 -3.633 -8.662
263 H CYS 38 H CYS 38 -5.911 -3.521 -7.029
264 HA CYS 38 HA CYS 38 -4.981 -2.840 -4.298
265 1HB CYS 38 1HB CYS 38 -5.331 -0.746 -5.461
266 2HB CYS 38 2HB CYS 38 -6.889 -1.281 -6.083
267 H LEU 39 H LEU 39 -6.361 -3.622 -2.714
268 HA LEU 39 HA LEU 39 -8.634 -5.334 -3.569
269 1HB LEU 39 1HB LEU 39 -5.932 -6.218 -2.970
270 2HB LEU 39 2HB LEU 39 -6.945 -6.694 -1.624
271 HG LEU 39 HG LEU 39 -6.745 -8.469 -3.216
272 1HD1 LEU 39 1HD1 LEU 39 -8.888 -8.247 -1.989
273 2HD1 LEU 39 2HD1 LEU 39 -9.588 -7.379 -3.373
274 3HD1 LEU 39 3HD1 LEU 39 -9.069 -9.060 -3.553
275 1HD2 LEU 39 1HD2 LEU 39 -8.100 -6.739 -5.320
276 2HD2 LEU 39 2HD2 LEU 39 -6.353 -7.058 -5.248
277 3HD2 LEU 39 3HD2 LEU 39 -7.497 -8.392 -5.496
278 H CYS 40 H CYS 40 -9.972 -6.042 -1.797
279 HA CYS 40 HA CYS 40 -9.492 -4.810 0.823
280 1HB CYS 40 1HB CYS 40 -12.166 -4.683 -0.606
281 2HB CYS 40 2HB CYS 40 -11.783 -3.998 0.966
282 H THR 41 H THR 41 -10.886 -5.732 2.482
283 HA THR 41 HA THR 41 -10.990 -8.652 2.151
284 HB THR 41 HB THR 41 -11.394 -8.592 4.604
285 HG1 THR 41 HG1 THR 41 -12.354 -6.619 4.853
286 1HG2 THR 41 1HG2 THR 41 -9.154 -7.859 5.224
287 2HG2 THR 41 2HG2 THR 41 -9.112 -8.758 3.694
288 3HG2 THR 41 3HG2 THR 41 -8.981 -6.982 3.686
289 H ARG 42 H ARG 42 -12.798 -9.898 2.619
290 HA ARG 42 HA ARG 42 -15.383 -8.669 1.973
291 1HB ARG 42 1HB ARG 42 -16.167 -10.894 1.704
292 2HB ARG 42 2HB ARG 42 -14.631 -10.718 0.844
293 1HG ARG 42 1HG ARG 42 -13.459 -11.884 2.673
294 2HG ARG 42 2HG ARG 42 -14.985 -12.010 3.583
295 1HD ARG 42 1HD ARG 42 -15.977 -13.303 1.715
296 2HD ARG 42 2HD ARG 42 -14.414 -13.256 0.864
297 HE ARG 42 HE ARG 42 -13.857 -14.271 3.396
298 1HH1 ARG 42 1HH1 ARG 42 -15.906 -15.241 0.660
299 2HH1 ARG 42 2HH1 ARG 42 -15.821 -16.942 1.038
300 1HH2 ARG 42 1HH2 ARG 42 -13.751 -16.511 3.873
301 2HH2 ARG 42 2HH2 ARG 42 -14.587 -17.665 2.868
302 H SER 43 H SER 43 -13.803 -8.583 4.787
303 HA SER 43 HA SER 43 -15.625 -9.729 6.655
304 1HB SER 43 1HB SER 43 -14.253 -8.189 8.209
305 2HB SER 43 2HB SER 43 -13.383 -9.428 7.322
306 HG SER 43 HG SER 43 -12.450 -7.268 7.235
307 H PHE 44 H PHE 44 -16.381 -8.151 8.410
308 HA PHE 44 HA PHE 44 -17.562 -5.669 7.291
309 1HB PHE 44 1HB PHE 44 -19.287 -7.440 7.374
310 2HB PHE 44 2HB PHE 44 -19.112 -7.495 9.125
311 HD1 PHE 44 HD1 PHE 44 -19.739 -5.462 10.510
312 HD2 PHE 44 HD2 PHE 44 -20.394 -5.613 6.247
313 HE1 PHE 44 HE1 PHE 44 -21.140 -3.422 10.648
314 HE2 PHE 44 HE2 PHE 44 -21.821 -3.593 6.399
315 HZ PHE 44 HZ PHE 44 -22.168 -2.472 8.593
316 HA PRO 45 HA PRO 45 -17.410 -3.563 7.787
317 1HB PRO 45 1HB PRO 45 -15.500 -1.660 8.179
318 2HB PRO 45 2HB PRO 45 -16.988 -1.781 9.159
319 1HG PRO 45 1HG PRO 45 -14.255 -2.908 9.845
320 2HG PRO 45 2HG PRO 45 -15.294 -1.868 10.864
321 1HD PRO 45 1HD PRO 45 -15.303 -4.572 11.132
322 2HD PRO 45 2HD PRO 45 -16.832 -3.656 11.239
323 HA PRO 46 HA PRO 46 -14.174 -5.277 5.091
324 1HB PRO 46 1HB PRO 46 -14.717 -4.019 2.748
325 2HB PRO 46 2HB PRO 46 -15.820 -5.232 3.453
326 1HG PRO 46 1HG PRO 46 -16.034 -2.217 3.661
327 2HG PRO 46 2HG PRO 46 -17.312 -3.384 3.220
328 1HD PRO 46 1HD PRO 46 -17.015 -2.408 5.767
329 2HD PRO 46 2HD PRO 46 -17.575 -4.079 5.451
330 H GLN 47 H GLN 47 -12.035 -4.704 5.159
331 HA GLN 47 HA GLN 47 -11.276 -1.829 5.217
332 1HB GLN 47 1HB GLN 47 -9.901 -4.343 6.267
333 2HB GLN 47 2HB GLN 47 -9.301 -2.687 6.381
334 1HG GLN 47 1HG GLN 47 -11.786 -3.813 7.723
335 2HG GLN 47 2HG GLN 47 -10.274 -3.347 8.505
336 1HE2 GLN 47 1HE2 GLN 47 -9.629 -0.893 7.536
337 2HE2 GLN 47 2HE2 GLN 47 -10.905 0.260 7.873
338 H CYS 48 H CYS 48 -9.611 -1.115 3.874
339 HA CYS 48 HA CYS 48 -9.139 -2.853 1.509
340 1HB CYS 48 1HB CYS 48 -9.703 0.071 1.846
341 2HB CYS 48 2HB CYS 48 -9.010 -0.594 0.364
342 H ARG 49 H ARG 49 -7.256 -2.399 0.225
343 HA ARG 49 HA ARG 49 -4.855 -1.418 1.582
344 1HB ARG 49 1HB ARG 49 -5.594 -3.893 2.311
345 2HB ARG 49 2HB ARG 49 -4.948 -4.309 0.735
346 1HG ARG 49 1HG ARG 49 -2.933 -2.706 1.969
347 2HG ARG 49 2HG ARG 49 -3.676 -3.588 3.293
348 1HD ARG 49 1HD ARG 49 -1.996 -4.608 1.041
349 2HD ARG 49 2HD ARG 49 -1.920 -4.950 2.750
350 HE ARG 49 HE ARG 49 -3.649 -6.532 2.596
351 1HH1 ARG 49 1HH1 ARG 49 -2.815 -5.227 -0.631
352 2HH1 ARG 49 2HH1 ARG 49 -3.624 -6.520 -1.472
353 1HH2 ARG 49 1HH2 ARG 49 -4.681 -8.198 1.449
354 2HH2 ARG 49 2HH2 ARG 49 -4.677 -8.211 -0.296
355 H CYS 50 H CYS 50 -2.952 -1.787 0.206
356 HA CYS 50 HA CYS 50 -3.566 -1.647 -2.709
357 1HB CYS 50 1HB CYS 50 -2.391 0.281 -1.715
358 2HB CYS 50 2HB CYS 50 -1.117 -0.794 -1.127
359 H TYR 51 H TYR 51 -2.564 -3.104 -4.161
360 HA TYR 51 HA TYR 51 -1.057 -5.382 -2.957
361 1HB TYR 51 1HB TYR 51 -3.358 -5.824 -3.951
362 2HB TYR 51 2HB TYR 51 -2.690 -5.362 -5.501
363 HD1 TYR 51 HD1 TYR 51 -1.620 -7.017 -6.852
364 HD2 TYR 51 HD2 TYR 51 -2.127 -7.720 -2.626
365 HE1 TYR 51 HE1 TYR 51 -0.692 -9.293 -7.117
366 HE2 TYR 51 HE2 TYR 51 -1.217 -10.005 -2.900
367 HH TYR 51 HH TYR 51 -0.352 -11.567 -4.370
368 H ASP 52 H ASP 52 -0.824 -2.641 -5.017
369 HA ASP 52 HA ASP 52 0.758 -3.563 -7.092
370 1HB ASP 52 1HB ASP 52 -0.409 -1.380 -6.945
371 2HB ASP 52 2HB ASP 52 0.811 -0.812 -5.793
372 HD2 ASP 52 HD2 ASP 52 2.072 -1.520 -9.605
373 H ILE 53 H ILE 53 2.851 -3.656 -7.584
374 HA ILE 53 HA ILE 53 4.712 -4.116 -5.328
375 HB ILE 53 HB ILE 53 4.931 -4.983 -8.235
376 1HG1 ILE 53 1HG1 ILE 53 2.844 -5.938 -7.513
377 2HG1 ILE 53 2HG1 ILE 53 4.080 -7.184 -7.651
378 1HG2 ILE 53 1HG2 ILE 53 6.267 -5.985 -5.687
379 2HG2 ILE 53 2HG2 ILE 53 6.419 -6.727 -7.293
380 3HG2 ILE 53 3HG2 ILE 53 7.029 -5.093 -7.010
381 1HD1 ILE 53 1HD1 ILE 53 3.078 -5.897 -5.098
382 2HD1 ILE 53 2HD1 ILE 53 2.736 -7.542 -5.642
383 3HD1 ILE 53 3HD1 ILE 53 4.383 -7.104 -5.146
384 H THR 54 H THR 54 6.534 -2.839 -5.159
385 HA THR 54 HA THR 54 7.377 -1.249 -7.544
386 HB THR 54 HB THR 54 8.025 0.538 -5.792
387 HG1 THR 54 HG1 THR 54 7.540 -0.725 -3.952
388 1HG2 THR 54 1HG2 THR 54 5.850 1.620 -5.806
389 2HG2 THR 54 2HG2 THR 54 6.225 0.952 -7.408
390 3HG2 THR 54 3HG2 THR 54 5.062 0.118 -6.337
391 H ASP 55 H ASP 55 9.563 -0.563 -7.546
392 HA ASP 55 HA ASP 55 11.461 -2.481 -6.478
393 1HB ASP 55 1HB ASP 55 13.093 -1.093 -7.649
394 2HB ASP 55 2HB ASP 55 11.770 -1.582 -8.711
395 HD2 ASP 55 HD2 ASP 55 12.684 2.139 -8.802
396 H PHE 56 H PHE 56 10.526 0.876 -5.916
397 HA PHE 56 HA PHE 56 12.166 1.072 -3.410
398 1HB PHE 56 1HB PHE 56 11.339 3.495 -3.521
399 2HB PHE 56 2HB PHE 56 12.486 2.968 -4.714
400 HD1 PHE 56 HD1 PHE 56 8.723 3.244 -4.288
401 HD2 PHE 56 HD2 PHE 56 12.112 3.583 -6.942
402 HE1 PHE 56 HE1 PHE 56 7.223 3.920 -6.124
403 HE2 PHE 56 HE2 PHE 56 10.596 4.270 -8.773
404 HZ PHE 56 HZ PHE 56 8.149 4.443 -8.370
405 H CYS 57 H CYS 57 10.580 2.617 -1.880
406 HA CYS 57 HA CYS 57 7.797 2.040 -2.325
407 1HB CYS 57 1HB CYS 57 8.583 0.184 -0.793
408 2HB CYS 57 2HB CYS 57 8.820 1.406 0.461
409 H TYR 58 H TYR 58 6.416 3.513 -1.217
410 HA TYR 58 HA TYR 58 7.515 6.145 -0.996
411 1HB TYR 58 1HB TYR 58 4.755 5.030 -0.354
412 2HB TYR 58 2HB TYR 58 5.156 6.728 -0.571
413 HD1 TYR 58 HD1 TYR 58 4.370 3.597 -2.271
414 HD2 TYR 58 HD2 TYR 58 5.854 7.611 -2.812
415 HE1 TYR 58 HE1 TYR 58 4.164 3.346 -4.727
416 HE2 TYR 58 HE2 TYR 58 5.563 7.385 -5.261
417 HH TYR 58 HH TYR 58 5.021 5.975 -7.001
418 HA PRO 59 HA PRO 59 8.343 6.160 3.345
419 1HB PRO 59 1HB PRO 59 8.036 8.771 4.083
420 2HB PRO 59 2HB PRO 59 9.291 8.240 2.928
421 1HG PRO 59 1HG PRO 59 6.544 9.349 2.270
422 2HG PRO 59 2HG PRO 59 8.124 9.919 1.650
423 1HD PRO 59 1HD PRO 59 6.600 8.191 0.240
424 2HD PRO 59 2HD PRO 59 8.375 7.982 0.289
425 H SER 60 H SER 60 7.421 6.944 5.563
426 HA SER 60 HA SER 60 5.096 5.583 6.045
427 1HB SER 60 1HB SER 60 5.293 7.410 8.137
428 2HB SER 60 2HB SER 60 5.912 5.761 8.037
429 HG SER 60 HG SER 60 7.512 7.395 8.546
430 H CYS 61 H CYS 61 3.017 6.003 6.024
431 HA CYS 61 HA CYS 61 2.012 8.597 5.067
432 1HB CYS 61 1HB CYS 61 1.216 6.145 4.468
433 2HB CYS 61 2HB CYS 61 0.184 6.357 5.873
434 H SER 62 H SER 62 0.001 9.423 6.094
435 HA SER 62 HA SER 62 0.115 9.501 9.071
436 1HB SER 62 1HB SER 62 0.158 11.670 7.854
437 2HB SER 62 2HB SER 62 -1.414 11.275 7.130
438 HG SER 62 HG SER 62 -1.571 12.548 9.045
Start of MODEL 10
1 1H THR 1 1H THR 1 -5.643 22.799 10.520
2 2H THR 1 2H THR 1 -6.505 22.114 9.290
3 3H THR 1 3H THR 1 -6.916 21.796 10.852
4 HA THR 1 HA THR 1 -4.423 20.997 9.561
5 HB THR 1 HB THR 1 -4.100 19.645 11.625
6 HG1 THR 1 HG1 THR 1 -6.013 21.362 12.815
7 1HG2 THR 1 1HG2 THR 1 -3.281 21.504 13.016
8 2HG2 THR 1 2HG2 THR 1 -2.887 21.767 11.306
9 3HG2 THR 1 3HG2 THR 1 -4.221 22.667 12.063
10 H LYS 2 H LYS 2 -4.310 18.864 8.826
11 HA LYS 2 HA LYS 2 -6.381 16.930 9.309
12 1HB LYS 2 1HB LYS 2 -7.532 18.378 7.635
13 2HB LYS 2 2HB LYS 2 -6.194 18.121 6.503
14 1HG LYS 2 1HG LYS 2 -6.647 15.687 6.520
15 2HG LYS 2 2HG LYS 2 -7.961 15.920 7.677
16 1HD LYS 2 1HD LYS 2 -7.893 17.199 4.901
17 2HD LYS 2 2HD LYS 2 -8.634 15.629 5.257
18 1HE LYS 2 1HE LYS 2 -10.085 16.752 6.988
19 2HE LYS 2 2HE LYS 2 -9.471 18.320 6.429
20 1HZ LYS 2 1HZ LYS 2 -11.557 17.684 5.436
21 2HZ LYS 2 2HZ LYS 2 -10.383 17.861 4.292
22 3HZ LYS 2 3HZ LYS 2 -10.865 16.353 4.757
23 H SER 3 H SER 3 -5.345 14.980 9.231
24 HA SER 3 HA SER 3 -2.570 14.877 8.336
25 1HB SER 3 1HB SER 3 -2.641 12.649 9.402
26 2HB SER 3 2HB SER 3 -3.193 13.944 10.478
27 HG SER 3 HG SER 3 -4.844 12.201 8.971
28 H THR 4 H THR 4 -3.341 15.336 6.066
29 HA THR 4 HA THR 4 -3.525 12.784 4.550
30 HB THR 4 HB THR 4 -4.947 14.094 2.885
31 HG1 THR 4 HG1 THR 4 -6.081 15.859 3.781
32 1HG2 THR 4 1HG2 THR 4 -6.193 13.526 5.614
33 2HG2 THR 4 2HG2 THR 4 -7.062 13.684 4.076
34 3HG2 THR 4 3HG2 THR 4 -5.923 12.348 4.314
35 H THR 5 H THR 5 -2.334 12.822 2.610
36 HA THR 5 HA THR 5 -0.909 15.202 1.761
37 HB THR 5 HB THR 5 0.411 14.495 3.714
38 HG1 THR 5 HG1 THR 5 2.374 14.326 2.661
39 1HG2 THR 5 1HG2 THR 5 0.770 11.816 2.297
40 2HG2 THR 5 2HG2 THR 5 1.647 12.368 3.732
41 3HG2 THR 5 3HG2 THR 5 -0.100 12.096 3.820
42 H THR 6 H THR 6 1.072 13.521 0.472
43 HA THR 6 HA THR 6 -0.359 12.829 -1.973
44 HB THR 6 HB THR 6 1.932 12.422 -2.779
45 HG1 THR 6 HG1 THR 6 2.730 11.611 -0.743
46 1HG2 THR 6 1HG2 THR 6 1.813 14.983 -1.135
47 2HG2 THR 6 2HG2 THR 6 2.794 14.671 -2.577
48 3HG2 THR 6 3HG2 THR 6 1.027 14.750 -2.712
49 H ALA 7 H ALA 7 0.649 10.770 -3.049
50 HA ALA 7 HA ALA 7 -0.259 8.329 -2.041
51 1HB ALA 7 1HB ALA 7 0.483 8.561 -4.323
52 2HB ALA 7 2HB ALA 7 2.130 8.987 -3.811
53 3HB ALA 7 3HB ALA 7 1.519 7.347 -3.536
54 H CYS 8 H CYS 8 0.238 7.185 -0.299
55 HA CYS 8 HA CYS 8 2.979 7.241 0.882
56 1HB CYS 8 1HB CYS 8 2.155 7.686 3.047
57 2HB CYS 8 2HB CYS 8 1.588 8.969 2.024
58 H CYS 9 H CYS 9 2.838 5.790 2.855
59 HA CYS 9 HA CYS 9 1.197 3.458 2.938
60 1HB CYS 9 1HB CYS 9 2.300 2.873 0.857
61 2HB CYS 9 2HB CYS 9 3.889 3.260 1.510
62 H ASP 10 H ASP 10 1.860 2.179 4.831
63 HA ASP 10 HA ASP 10 3.699 3.699 6.617
64 1HB ASP 10 1HB ASP 10 1.332 1.850 7.124
65 2HB ASP 10 2HB ASP 10 2.399 2.503 8.367
66 HD2 ASP 10 HD2 ASP 10 -0.547 4.739 6.902
67 H PHE 11 H PHE 11 2.574 0.271 6.423
68 HA PHE 11 HA PHE 11 5.293 -0.694 7.009
69 1HB PHE 11 1HB PHE 11 2.846 -2.305 6.287
70 2HB PHE 11 2HB PHE 11 4.287 -2.840 7.141
71 HD1 PHE 11 HD1 PHE 11 1.334 -3.257 7.848
72 HD2 PHE 11 HD2 PHE 11 4.264 -0.372 9.163
73 HE1 PHE 11 HE1 PHE 11 0.028 -2.871 9.904
74 HE2 PHE 11 HE2 PHE 11 2.954 0.006 11.221
75 HZ PHE 11 HZ PHE 11 0.815 -1.210 11.591
76 H CYS 12 H CYS 12 6.645 -0.607 5.247
77 HA CYS 12 HA CYS 12 5.644 -1.817 2.716
78 1HB CYS 12 1HB CYS 12 5.876 0.658 2.497
79 2HB CYS 12 2HB CYS 12 7.616 0.458 2.660
80 HA PRO 13 HA PRO 13 9.417 -4.098 4.108
81 1HB PRO 13 1HB PRO 13 8.407 -6.632 3.970
82 2HB PRO 13 2HB PRO 13 8.184 -5.585 5.402
83 1HG PRO 13 1HG PRO 13 6.252 -5.974 3.095
84 2HG PRO 13 2HG PRO 13 5.909 -6.137 4.846
85 1HD PRO 13 1HD PRO 13 5.361 -3.846 3.534
86 2HD PRO 13 2HD PRO 13 6.065 -3.780 5.172
87 H CYS 14 H CYS 14 10.652 -5.585 2.736
88 HA CYS 14 HA CYS 14 9.753 -5.800 -0.064
89 1HB CYS 14 1HB CYS 14 12.526 -4.895 0.789
90 2HB CYS 14 2HB CYS 14 11.883 -4.964 -0.844
91 H THR 15 H THR 15 10.960 -7.359 -1.294
92 HA THR 15 HA THR 15 11.768 -9.709 0.269
93 HB THR 15 HB THR 15 11.975 -10.749 -1.933
94 HG1 THR 15 HG1 THR 15 11.857 -9.621 -3.752
95 1HG2 THR 15 1HG2 THR 15 9.707 -10.612 -0.921
96 2HG2 THR 15 2HG2 THR 15 9.416 -9.088 -1.781
97 3HG2 THR 15 3HG2 THR 15 9.649 -10.590 -2.692
98 H ARG 16 H ARG 16 13.843 -10.778 -0.262
99 HA ARG 16 HA ARG 16 16.076 -8.840 -0.765
100 1HB ARG 16 1HB ARG 16 16.077 -11.480 0.739
101 2HB ARG 16 2HB ARG 16 17.450 -10.384 0.491
102 1HG ARG 16 1HG ARG 16 16.241 -8.585 1.711
103 2HG ARG 16 2HG ARG 16 14.913 -9.708 2.058
104 1HD ARG 16 1HD ARG 16 17.813 -10.095 2.903
105 2HD ARG 16 2HD ARG 16 16.507 -9.489 3.945
106 HE ARG 16 HE ARG 16 15.637 -11.941 2.870
107 1HH1 ARG 16 1HH1 ARG 16 18.172 -10.784 5.066
108 2HH1 ARG 16 2HH1 ARG 16 18.244 -12.272 5.974
109 1HH2 ARG 16 1HH2 ARG 16 15.743 -13.893 4.065
110 2HH2 ARG 16 2HH2 ARG 16 16.853 -14.047 5.403
111 H SER 17 H SER 17 14.442 -10.137 -2.879
112 HA SER 17 HA SER 17 16.163 -12.197 -4.037
113 1HB SER 17 1HB SER 17 14.353 -12.120 -5.796
114 2HB SER 17 2HB SER 17 13.808 -12.502 -4.175
115 HG SER 17 HG SER 17 13.608 -10.035 -5.554
116 H ILE 18 H ILE 18 16.265 -11.827 -6.545
117 HA ILE 18 HA ILE 18 17.541 -9.209 -7.114
118 HB ILE 18 HB ILE 18 19.204 -10.785 -6.615
119 1HG1 ILE 18 1HG1 ILE 18 20.529 -10.817 -8.710
120 2HG1 ILE 18 2HG1 ILE 18 19.097 -10.368 -9.641
121 1HG2 ILE 18 1HG2 ILE 18 18.054 -12.931 -7.053
122 2HG2 ILE 18 2HG2 ILE 18 18.269 -12.673 -8.799
123 3HG2 ILE 18 3HG2 ILE 18 19.671 -12.835 -7.747
124 1HD1 ILE 18 1HD1 ILE 18 19.011 -8.191 -8.544
125 2HD1 ILE 18 2HD1 ILE 18 20.267 -8.683 -7.379
126 3HD1 ILE 18 3HD1 ILE 18 20.670 -8.472 -9.095
127 HA PRO 19 HA PRO 19 16.726 -7.482 -8.019
128 1HB PRO 19 1HB PRO 19 14.598 -6.038 -8.796
129 2HB PRO 19 2HB PRO 19 15.950 -6.407 -9.903
130 1HG PRO 19 1HG PRO 19 13.302 -7.869 -9.680
131 2HG PRO 19 2HG PRO 19 14.088 -7.245 -11.162
132 1HD PRO 19 1HD PRO 19 14.351 -9.848 -10.370
133 2HD PRO 19 2HD PRO 19 15.706 -8.974 -11.136
134 HA PRO 20 HA PRO 20 13.732 -8.102 -4.636
135 1HB PRO 20 1HB PRO 20 14.091 -5.897 -3.136
136 2HB PRO 20 2HB PRO 20 15.397 -7.102 -3.345
137 1HG PRO 20 1HG PRO 20 15.029 -4.512 -4.884
138 2HG PRO 20 2HG PRO 20 16.504 -5.092 -4.058
139 1HD PRO 20 1HD PRO 20 16.056 -5.478 -6.746
140 2HD PRO 20 2HD PRO 20 16.934 -6.675 -5.751
141 H GLN 21 H GLN 21 11.580 -7.508 -4.192
142 HA GLN 21 HA GLN 21 10.402 -5.166 -5.606
143 1HB GLN 21 1HB GLN 21 8.309 -6.539 -5.311
144 2HB GLN 21 2HB GLN 21 9.368 -6.909 -6.673
145 1HG GLN 21 1HG GLN 21 9.241 -8.474 -4.065
146 2HG GLN 21 2HG GLN 21 8.278 -8.845 -5.491
147 1HE2 GLN 21 1HE2 GLN 21 10.850 -8.040 -7.201
148 2HE2 GLN 21 2HE2 GLN 21 11.792 -9.507 -7.114
149 H CYS 22 H CYS 22 9.295 -3.797 -4.322
150 HA CYS 22 HA CYS 22 8.975 -4.405 -1.428
151 1HB CYS 22 1HB CYS 22 9.110 -1.731 -2.819
152 2HB CYS 22 2HB CYS 22 8.813 -1.985 -1.111
153 H GLN 23 H GLN 23 7.030 -4.062 -0.501
154 HA GLN 23 HA GLN 23 4.650 -3.444 -2.125
155 1HB GLN 23 1HB GLN 23 5.140 -5.815 -2.552
156 2HB GLN 23 2HB GLN 23 5.289 -6.139 -0.818
157 1HG GLN 23 1HG GLN 23 2.964 -5.809 -0.431
158 2HG GLN 23 2HG GLN 23 2.729 -5.032 -2.006
159 1HE2 GLN 23 1HE2 GLN 23 3.006 -6.376 -3.964
160 2HE2 GLN 23 2HE2 GLN 23 2.609 -8.082 -3.873
161 H CYS 24 H CYS 24 2.751 -3.205 -0.748
162 HA CYS 24 HA CYS 24 3.532 -2.238 1.945
163 1HB CYS 24 1HB CYS 24 1.327 -1.501 0.027
164 2HB CYS 24 2HB CYS 24 1.333 -0.992 1.717
165 H THR 25 H THR 25 2.783 -3.199 3.725
166 HA THR 25 HA THR 25 0.683 -5.316 3.457
167 HB THR 25 HB THR 25 1.742 -6.277 5.483
168 HG1 THR 25 HG1 THR 25 3.770 -5.490 6.064
169 1HG2 THR 25 1HG2 THR 25 3.609 -5.871 3.103
170 2HG2 THR 25 2HG2 THR 25 3.714 -7.163 4.318
171 3HG2 THR 25 3HG2 THR 25 2.318 -7.085 3.225
172 H ASP 26 H ASP 26 0.886 -2.124 4.392
173 HA ASP 26 HA ASP 26 -0.727 -2.285 6.775
174 1HB ASP 26 1HB ASP 26 0.633 -0.338 6.304
175 2HB ASP 26 2HB ASP 26 -0.279 -0.012 4.812
176 HD2 ASP 26 HD2 ASP 26 -2.406 2.022 6.626
177 H VAL 27 H VAL 27 -2.900 -1.634 6.886
178 HA VAL 27 HA VAL 27 -4.645 -2.074 4.530
179 HB VAL 27 HB VAL 27 -4.747 -3.718 7.107
180 1HG1 VAL 27 1HG1 VAL 27 -6.668 -3.465 4.768
181 2HG1 VAL 27 2HG1 VAL 27 -6.640 -4.897 5.819
182 3HG1 VAL 27 3HG1 VAL 27 -7.000 -3.299 6.489
183 1HG2 VAL 27 1HG2 VAL 27 -4.101 -4.481 4.232
184 2HG2 VAL 27 2HG2 VAL 27 -3.041 -4.622 5.641
185 3HG2 VAL 27 3HG2 VAL 27 -4.462 -5.656 5.515
186 H ARG 28 H ARG 28 -6.410 -0.722 4.632
187 HA ARG 28 HA ARG 28 -7.284 0.455 7.156
188 1HB ARG 28 1HB ARG 28 -5.044 1.628 6.257
189 2HB ARG 28 2HB ARG 28 -6.187 2.500 5.248
190 1HG ARG 28 1HG ARG 28 -7.485 2.947 7.484
191 2HG ARG 28 2HG ARG 28 -6.107 2.204 8.293
192 1HD ARG 28 1HD ARG 28 -5.822 4.600 8.391
193 2HD ARG 28 2HD ARG 28 -4.596 3.919 7.320
194 HE ARG 28 HE ARG 28 -5.446 5.123 5.582
195 1HH1 ARG 28 1HH1 ARG 28 -7.958 5.018 8.103
196 2HH1 ARG 28 2HH1 ARG 28 -9.074 6.002 7.187
197 1HH2 ARG 28 1HH2 ARG 28 -6.931 6.405 4.422
198 2HH2 ARG 28 2HH2 ARG 28 -8.507 6.761 5.097
199 H GLU 29 H GLU 29 -8.180 2.849 5.584
200 HA GLU 29 HA GLU 29 -10.813 1.928 5.012
201 1HB GLU 29 1HB GLU 29 -10.156 4.079 6.017
202 2HB GLU 29 2HB GLU 29 -9.411 4.572 4.496
203 1HG GLU 29 1HG GLU 29 -11.695 4.424 3.420
204 2HG GLU 29 2HG GLU 29 -12.355 3.985 5.005
205 HE2 GLU 29 HE2 GLU 29 -12.986 7.472 4.991
206 H LYS 30 H LYS 30 -9.316 4.088 2.654
207 HA LYS 30 HA LYS 30 -9.557 2.076 0.491
208 1HB LYS 30 1HB LYS 30 -9.343 5.104 0.371
209 2HB LYS 30 2HB LYS 30 -9.514 3.989 -0.993
210 1HG LYS 30 1HG LYS 30 -11.721 3.235 0.128
211 2HG LYS 30 2HG LYS 30 -11.592 4.716 1.083
212 1HD LYS 30 1HD LYS 30 -11.766 4.502 -1.962
213 2HD LYS 30 2HD LYS 30 -13.035 5.013 -0.852
214 1HE LYS 30 1HE LYS 30 -12.264 7.017 -1.745
215 2HE LYS 30 2HE LYS 30 -11.487 6.951 -0.158
216 1HZ LYS 30 1HZ LYS 30 -10.259 6.229 -2.738
217 2HZ LYS 30 2HZ LYS 30 -10.004 7.631 -1.913
218 3HZ LYS 30 3HZ LYS 30 -9.488 6.201 -1.284
219 H CYS 31 H CYS 31 -7.853 2.391 -1.167
220 HA CYS 31 HA CYS 31 -5.153 2.623 -0.083
221 1HB CYS 31 1HB CYS 31 -4.561 1.951 -2.427
222 2HB CYS 31 2HB CYS 31 -5.505 0.801 -1.506
223 H HIS 32 H HIS 32 -3.574 3.807 -1.543
224 HA HIS 32 HA HIS 32 -4.443 6.590 -1.754
225 1HB HIS 32 1HB HIS 32 -2.106 7.111 -2.052
226 2HB HIS 32 2HB HIS 32 -2.457 6.256 -0.586
227 HD1 HIS 32 HD1 HIS 32 -0.292 6.154 -3.602
228 HD2 HIS 32 HD2 HIS 32 -1.555 3.578 -0.529
229 HE1 HIS 32 HE1 HIS 32 1.323 4.173 -3.577
230 HE2 HIS 32 HE2 HIS 32 0.577 2.591 -1.704
231 H SER 33 H SER 33 -3.305 7.808 -3.561
232 HA SER 33 HA SER 33 -4.697 7.261 -5.947
233 1HB SER 33 1HB SER 33 -4.089 9.508 -5.222
234 2HB SER 33 2HB SER 33 -2.373 9.122 -5.469
235 HG SER 33 HG SER 33 -4.362 9.021 -7.490
236 H ALA 34 H ALA 34 -1.472 6.328 -4.978
237 HA ALA 34 HA ALA 34 -0.770 5.467 -7.760
238 1HB ALA 34 1HB ALA 34 1.093 5.954 -5.415
239 2HB ALA 34 2HB ALA 34 1.521 5.633 -7.108
240 3HB ALA 34 3HB ALA 34 0.712 7.149 -6.670
241 H CYS 35 H CYS 35 -2.594 3.932 -6.396
242 HA CYS 35 HA CYS 35 -1.075 1.391 -6.253
243 1HB CYS 35 1HB CYS 35 -2.976 2.486 -4.230
244 2HB CYS 35 2HB CYS 35 -3.225 0.805 -4.700
245 H LYS 36 H LYS 36 -1.665 0.104 -7.804
246 HA LYS 36 HA LYS 36 -4.209 0.504 -9.290
247 1HB LYS 36 1HB LYS 36 -1.486 -0.705 -9.955
248 2HB LYS 36 2HB LYS 36 -2.918 -0.900 -10.961
249 1HG LYS 36 1HG LYS 36 -3.116 1.605 -11.120
250 2HG LYS 36 2HG LYS 36 -1.614 1.751 -10.184
251 1HD LYS 36 1HD LYS 36 -0.423 0.456 -11.975
252 2HD LYS 36 2HD LYS 36 -1.935 0.409 -12.906
253 1HE LYS 36 1HE LYS 36 -1.971 2.912 -12.931
254 2HE LYS 36 2HE LYS 36 -0.432 2.930 -12.047
255 1HZ LYS 36 1HZ LYS 36 -0.871 1.788 -14.718
256 2HZ LYS 36 2HZ LYS 36 -0.113 3.209 -14.379
257 3HZ LYS 36 3HZ LYS 36 0.561 1.786 -13.899
258 H SER 37 H SER 37 -2.188 -1.835 -7.564
259 HA SER 37 HA SER 37 -4.004 -4.081 -8.062
260 1HB SER 37 1HB SER 37 -2.143 -5.225 -6.879
261 2HB SER 37 2HB SER 37 -1.632 -4.327 -8.318
262 HG SER 37 HG SER 37 -1.451 -3.423 -5.633
263 H CYS 38 H CYS 38 -5.401 -2.425 -6.868
264 HA CYS 38 HA CYS 38 -5.257 -2.613 -3.897
265 1HB CYS 38 1HB CYS 38 -5.231 -0.380 -4.800
266 2HB CYS 38 2HB CYS 38 -6.687 -0.698 -5.754
267 H LEU 39 H LEU 39 -6.796 -3.664 -2.774
268 HA LEU 39 HA LEU 39 -9.333 -4.486 -3.987
269 1HB LEU 39 1HB LEU 39 -7.686 -6.126 -4.868
270 2HB LEU 39 2HB LEU 39 -7.159 -6.471 -3.217
271 HG LEU 39 HG LEU 39 -9.365 -7.438 -2.692
272 1HD1 LEU 39 1HD1 LEU 39 -10.983 -7.894 -4.529
273 2HD1 LEU 39 2HD1 LEU 39 -10.856 -6.168 -4.184
274 3HD1 LEU 39 3HD1 LEU 39 -10.040 -6.846 -5.610
275 1HD2 LEU 39 1HD2 LEU 39 -9.122 -9.450 -4.050
276 2HD2 LEU 39 2HD2 LEU 39 -8.190 -8.557 -5.271
277 3HD2 LEU 39 3HD2 LEU 39 -7.512 -8.821 -3.656
278 H CYS 40 H CYS 40 -10.810 -5.063 -2.438
279 HA CYS 40 HA CYS 40 -9.972 -4.725 0.391
280 1HB CYS 40 1HB CYS 40 -12.702 -3.933 -0.545
281 2HB CYS 40 2HB CYS 40 -11.768 -3.309 0.805
282 H THR 41 H THR 41 -11.228 -5.737 2.020
283 HA THR 41 HA THR 41 -11.984 -8.427 1.084
284 HB THR 41 HB THR 41 -10.426 -8.154 2.967
285 HG1 THR 41 HG1 THR 41 -12.890 -9.427 3.526
286 1HG2 THR 41 1HG2 THR 41 -11.374 -6.199 4.108
287 2HG2 THR 41 2HG2 THR 41 -12.849 -7.100 4.500
288 3HG2 THR 41 3HG2 THR 41 -11.293 -7.584 5.199
289 H ARG 42 H ARG 42 -13.956 -9.454 1.687
290 HA ARG 42 HA ARG 42 -16.298 -7.660 1.755
291 1HB ARG 42 1HB ARG 42 -16.045 -10.671 1.375
292 2HB ARG 42 2HB ARG 42 -17.508 -9.682 1.169
293 1HG ARG 42 1HG ARG 42 -16.265 -8.349 -0.567
294 2HG ARG 42 2HG ARG 42 -14.965 -9.555 -0.488
295 1HD ARG 42 1HD ARG 42 -17.876 -10.109 -1.252
296 2HD ARG 42 2HD ARG 42 -16.522 -9.958 -2.364
297 HE ARG 42 HE ARG 42 -15.635 -11.993 -1.743
298 1HH1 ARG 42 1HH1 ARG 42 -18.557 -11.374 0.209
299 2HH1 ARG 42 2HH1 ARG 42 -18.736 -13.048 0.658
300 1HH2 ARG 42 1HH2 ARG 42 -15.900 -14.153 -1.128
301 2HH2 ARG 42 2HH2 ARG 42 -17.223 -14.628 -0.097
302 H SER 43 H SER 43 -14.349 -8.599 4.127
303 HA SER 43 HA SER 43 -16.098 -9.874 5.997
304 1HB SER 43 1HB SER 43 -13.572 -8.245 6.503
305 2HB SER 43 2HB SER 43 -14.306 -9.457 7.556
306 HG SER 43 HG SER 43 -12.836 -9.819 5.213
307 H PHE 44 H PHE 44 -16.241 -8.565 8.244
308 HA PHE 44 HA PHE 44 -17.028 -5.751 7.719
309 1HB PHE 44 1HB PHE 44 -18.987 -7.275 8.059
310 2HB PHE 44 2HB PHE 44 -18.438 -7.509 9.716
311 HD1 PHE 44 HD1 PHE 44 -18.434 -5.552 11.312
312 HD2 PHE 44 HD2 PHE 44 -19.967 -5.197 7.293
313 HE1 PHE 44 HE1 PHE 44 -19.501 -3.391 11.902
314 HE2 PHE 44 HE2 PHE 44 -21.037 -3.044 7.895
315 HZ PHE 44 HZ PHE 44 -20.803 -2.136 10.196
316 HA PRO 45 HA PRO 45 -16.554 -3.786 8.526
317 1HB PRO 45 1HB PRO 45 -14.441 -2.091 8.720
318 2HB PRO 45 2HB PRO 45 -15.626 -2.346 10.033
319 1HG PRO 45 1HG PRO 45 -12.923 -3.686 9.721
320 2HG PRO 45 2HG PRO 45 -13.567 -2.846 11.163
321 1HD PRO 45 1HD PRO 45 -13.745 -5.553 10.891
322 2HD PRO 45 2HD PRO 45 -15.081 -4.619 11.623
323 HA PRO 46 HA PRO 46 -14.277 -5.108 4.814
324 1HB PRO 46 1HB PRO 46 -15.396 -3.509 2.935
325 2HB PRO 46 2HB PRO 46 -16.313 -4.801 3.754
326 1HG PRO 46 1HG PRO 46 -16.319 -1.846 4.426
327 2HG PRO 46 2HG PRO 46 -17.718 -2.934 4.222
328 1HD PRO 46 1HD PRO 46 -16.637 -2.330 6.677
329 2HD PRO 46 2HD PRO 46 -17.383 -3.916 6.315
330 H GLN 47 H GLN 47 -12.129 -4.539 5.011
331 HA GLN 47 HA GLN 47 -11.303 -1.681 4.811
332 1HB GLN 47 1HB GLN 47 -10.100 -4.144 6.143
333 2HB GLN 47 2HB GLN 47 -9.200 -2.660 5.819
334 1HG GLN 47 1HG GLN 47 -10.938 -1.375 7.137
335 2HG GLN 47 2HG GLN 47 -11.692 -2.921 7.553
336 1HE2 GLN 47 1HE2 GLN 47 -8.354 -1.497 7.482
337 2HE2 GLN 47 2HE2 GLN 47 -7.899 -2.078 9.069
338 H CYS 48 H CYS 48 -9.544 -1.172 3.472
339 HA CYS 48 HA CYS 48 -9.125 -3.119 1.284
340 1HB CYS 48 1HB CYS 48 -10.266 -0.776 0.985
341 2HB CYS 48 2HB CYS 48 -8.579 -0.252 0.802
342 H ARG 49 H ARG 49 -7.264 -3.374 0.285
343 HA ARG 49 HA ARG 49 -4.768 -2.605 1.709
344 1HB ARG 49 1HB ARG 49 -5.028 -5.289 0.403
345 2HB ARG 49 2HB ARG 49 -3.942 -4.735 1.666
346 1HG ARG 49 1HG ARG 49 -5.222 -6.154 2.878
347 2HG ARG 49 2HG ARG 49 -6.173 -4.684 3.108
348 1HD ARG 49 1HD ARG 49 -7.586 -6.625 2.618
349 2HD ARG 49 2HD ARG 49 -7.720 -5.422 1.332
350 HE ARG 49 HE ARG 49 -5.644 -7.377 0.806
351 1HH1 ARG 49 1HH1 ARG 49 -9.150 -6.958 0.655
352 2HH1 ARG 49 2HH1 ARG 49 -9.363 -8.081 -0.666
353 1HH2 ARG 49 1HH2 ARG 49 -5.905 -8.785 -0.966
354 2HH2 ARG 49 2HH2 ARG 49 -7.499 -9.135 -1.583
355 H CYS 50 H CYS 50 -2.845 -2.998 0.250
356 HA CYS 50 HA CYS 50 -3.416 -2.935 -2.656
357 1HB CYS 50 1HB CYS 50 -3.185 -0.606 -2.039
358 2HB CYS 50 2HB CYS 50 -1.681 -0.945 -1.169
359 H TYR 51 H TYR 51 -2.070 -4.112 -3.820
360 HA TYR 51 HA TYR 51 0.099 -5.611 -2.431
361 1HB TYR 51 1HB TYR 51 -2.115 -6.671 -3.272
362 2HB TYR 51 2HB TYR 51 -1.482 -6.450 -4.885
363 HD1 TYR 51 HD1 TYR 51 -0.001 -8.142 -5.791
364 HD2 TYR 51 HD2 TYR 51 -0.760 -7.990 -1.548
365 HE1 TYR 51 HE1 TYR 51 1.244 -10.262 -5.488
366 HE2 TYR 51 HE2 TYR 51 0.441 -10.135 -1.258
367 HH TYR 51 HH TYR 51 1.662 -11.793 -2.276
368 H ASP 52 H ASP 52 0.756 -3.061 -3.486
369 HA ASP 52 HA ASP 52 1.529 -3.086 -6.193
370 1HB ASP 52 1HB ASP 52 2.767 -1.091 -5.740
371 2HB ASP 52 2HB ASP 52 1.273 -1.038 -4.808
372 HD2 ASP 52 HD2 ASP 52 3.007 -1.488 -1.711
373 H ILE 53 H ILE 53 3.634 -2.998 -7.139
374 HA ILE 53 HA ILE 53 5.828 -4.491 -5.789
375 HB ILE 53 HB ILE 53 4.719 -4.965 -8.581
376 1HG1 ILE 53 1HG1 ILE 53 3.435 -6.153 -6.815
377 2HG1 ILE 53 2HG1 ILE 53 4.251 -7.212 -7.952
378 1HG2 ILE 53 1HG2 ILE 53 6.553 -6.719 -8.703
379 2HG2 ILE 53 2HG2 ILE 53 7.117 -5.045 -8.757
380 3HG2 ILE 53 3HG2 ILE 53 7.256 -5.964 -7.258
381 1HD1 ILE 53 1HD1 ILE 53 6.014 -7.706 -6.311
382 2HD1 ILE 53 2HD1 ILE 53 5.263 -6.599 -5.141
383 3HD1 ILE 53 3HD1 ILE 53 4.411 -8.062 -5.662
384 H THR 54 H THR 54 7.158 -2.749 -5.520
385 HA THR 54 HA THR 54 8.128 -1.441 -8.017
386 HB THR 54 HB THR 54 8.398 0.681 -6.577
387 HG1 THR 54 HG1 THR 54 7.709 -0.187 -4.606
388 1HG2 THR 54 1HG2 THR 54 6.889 0.596 -8.505
389 2HG2 THR 54 2HG2 THR 54 5.603 -0.109 -7.489
390 3HG2 THR 54 3HG2 THR 54 6.183 1.540 -7.178
391 H ASP 55 H ASP 55 10.284 -0.768 -7.931
392 HA ASP 55 HA ASP 55 12.036 -2.244 -6.170
393 1HB ASP 55 1HB ASP 55 12.507 0.077 -8.088
394 2HB ASP 55 2HB ASP 55 13.777 -0.813 -7.245
395 HD2 ASP 55 HD2 ASP 55 13.284 -3.801 -9.120
396 H PHE 56 H PHE 56 10.775 1.040 -6.328
397 HA PHE 56 HA PHE 56 12.076 1.849 -3.778
398 1HB PHE 56 1HB PHE 56 11.093 4.057 -4.275
399 2HB PHE 56 2HB PHE 56 12.112 3.481 -5.554
400 HD1 PHE 56 HD1 PHE 56 11.146 2.795 -7.755
401 HD2 PHE 56 HD2 PHE 56 8.657 4.342 -4.585
402 HE1 PHE 56 HE1 PHE 56 9.280 3.102 -9.357
403 HE2 PHE 56 HE2 PHE 56 6.806 4.649 -6.194
404 HZ PHE 56 HZ PHE 56 7.117 4.051 -8.586
405 H CYS 57 H CYS 57 10.288 3.313 -2.563
406 HA CYS 57 HA CYS 57 7.580 2.404 -2.783
407 1HB CYS 57 1HB CYS 57 8.708 0.687 -1.261
408 2HB CYS 57 2HB CYS 57 8.846 1.967 -0.053
409 H TYR 58 H TYR 58 6.128 3.759 -1.435
410 HA TYR 58 HA TYR 58 7.064 6.479 -1.300
411 1HB TYR 58 1HB TYR 58 4.438 5.141 -0.527
412 2HB TYR 58 2HB TYR 58 4.722 6.875 -0.556
413 HD1 TYR 58 HD1 TYR 58 4.155 3.892 -2.630
414 HD2 TYR 58 HD2 TYR 58 5.055 8.110 -2.673
415 HE1 TYR 58 HE1 TYR 58 3.835 3.937 -5.085
416 HE2 TYR 58 HE2 TYR 58 4.680 8.161 -5.123
417 HH TYR 58 HH TYR 58 3.936 5.210 -7.005
418 HA PRO 59 HA PRO 59 8.364 6.373 2.914
419 1HB PRO 59 1HB PRO 59 8.092 8.965 3.745
420 2HB PRO 59 2HB PRO 59 9.251 8.473 2.479
421 1HG PRO 59 1HG PRO 59 6.458 9.585 2.083
422 2HG PRO 59 2HG PRO 59 7.978 10.159 1.332
423 1HD PRO 59 1HD PRO 59 6.314 8.448 0.043
424 2HD PRO 59 2HD PRO 59 8.089 8.257 -0.087
425 H SER 60 H SER 60 7.667 6.966 5.222
426 HA SER 60 HA SER 60 5.338 5.649 5.832
427 1HB SER 60 1HB SER 60 5.842 7.270 8.035
428 2HB SER 60 2HB SER 60 6.374 5.615 7.724
429 HG SER 60 HG SER 60 8.108 7.091 8.185
430 H CYS 61 H CYS 61 3.283 6.162 6.080
431 HA CYS 61 HA CYS 61 2.330 8.867 5.447
432 1HB CYS 61 1HB CYS 61 1.244 6.466 4.903
433 2HB CYS 61 2HB CYS 61 0.419 6.784 6.421
434 H SER 62 H SER 62 0.378 9.547 6.935
435 HA SER 62 HA SER 62 1.238 9.747 9.751
436 1HB SER 62 1HB SER 62 -0.773 11.212 9.885
437 2HB SER 62 2HB SER 62 0.418 11.776 8.695
438 HG SER 62 HG SER 62 -1.782 10.125 8.021
Start of MODEL 11
1 1H THR 1 1H THR 1 -9.146 24.815 -2.133
2 2H THR 1 2H THR 1 -9.550 23.489 -1.237
3 3H THR 1 3H THR 1 -8.304 23.402 -2.304
4 HA THR 1 HA THR 1 -11.108 23.820 -3.001
5 HB THR 1 HB THR 1 -10.403 23.486 -5.315
6 HG1 THR 1 HG1 THR 1 -7.720 23.635 -4.424
7 1HG2 THR 1 1HG2 THR 1 -10.450 25.809 -4.412
8 2HG2 THR 1 2HG2 THR 1 -8.716 25.686 -4.035
9 3HG2 THR 1 3HG2 THR 1 -9.268 25.591 -5.715
10 H LYS 2 H LYS 2 -11.875 21.904 -4.457
11 HA LYS 2 HA LYS 2 -11.484 19.416 -2.999
12 1HB LYS 2 1HB LYS 2 -12.985 20.005 -5.585
13 2HB LYS 2 2HB LYS 2 -12.997 18.481 -4.681
14 1HG LYS 2 1HG LYS 2 -13.871 19.804 -2.674
15 2HG LYS 2 2HG LYS 2 -14.088 21.176 -3.784
16 1HD LYS 2 1HD LYS 2 -15.518 19.702 -5.241
17 2HD LYS 2 2HD LYS 2 -15.340 18.402 -4.044
18 1HE LYS 2 1HE LYS 2 -16.381 19.899 -2.316
19 2HE LYS 2 2HE LYS 2 -16.629 21.128 -3.572
20 1HZ LYS 2 1HZ LYS 2 -18.582 19.834 -3.245
21 2HZ LYS 2 2HZ LYS 2 -17.984 19.524 -4.747
22 3HZ LYS 2 3HZ LYS 2 -17.780 18.426 -3.536
23 H SER 3 H SER 3 -9.345 18.749 -3.192
24 HA SER 3 HA SER 3 -8.548 17.556 -5.733
25 1HB SER 3 1HB SER 3 -7.780 19.906 -6.006
26 2HB SER 3 2HB SER 3 -6.910 19.800 -4.462
27 HG SER 3 HG SER 3 -5.585 19.399 -6.302
28 H THR 4 H THR 4 -7.060 15.896 -5.412
29 HA THR 4 HA THR 4 -5.550 15.539 -3.009
30 HB THR 4 HB THR 4 -7.729 14.934 -2.062
31 HG1 THR 4 HG1 THR 4 -6.219 12.601 -2.559
32 1HG2 THR 4 1HG2 THR 4 -8.895 14.221 -4.170
33 2HG2 THR 4 2HG2 THR 4 -7.919 12.736 -4.173
34 3HG2 THR 4 3HG2 THR 4 -9.044 13.059 -2.843
35 H THR 5 H THR 5 -3.979 13.984 -3.300
36 HA THR 5 HA THR 5 -4.087 11.895 -5.233
37 HB THR 5 HB THR 5 -3.810 13.708 -6.853
38 HG1 THR 5 HG1 THR 5 -2.019 12.881 -7.866
39 1HG2 THR 5 1HG2 THR 5 -1.825 15.096 -6.966
40 2HG2 THR 5 2HG2 THR 5 -2.690 15.409 -5.456
41 3HG2 THR 5 3HG2 THR 5 -1.207 14.435 -5.446
42 H THR 6 H THR 6 -3.697 11.935 -2.519
43 HA THR 6 HA THR 6 -0.975 12.185 -1.706
44 HB THR 6 HB THR 6 -1.775 11.094 0.352
45 HG1 THR 6 HG1 THR 6 -4.313 11.022 -0.902
46 1HG2 THR 6 1HG2 THR 6 -3.348 12.848 1.027
47 2HG2 THR 6 2HG2 THR 6 -2.025 13.527 0.060
48 3HG2 THR 6 3HG2 THR 6 -3.630 13.290 -0.668
49 H ALA 7 H ALA 7 0.539 10.597 -1.144
50 HA ALA 7 HA ALA 7 0.070 7.788 -1.921
51 1HB ALA 7 1HB ALA 7 2.319 9.434 -3.091
52 2HB ALA 7 2HB ALA 7 2.104 7.673 -3.216
53 3HB ALA 7 3HB ALA 7 0.915 8.763 -3.960
54 H CYS 8 H CYS 8 0.199 7.084 0.132
55 HA CYS 8 HA CYS 8 2.882 7.230 1.443
56 1HB CYS 8 1HB CYS 8 1.956 7.604 3.560
57 2HB CYS 8 2HB CYS 8 1.311 8.847 2.532
58 H CYS 9 H CYS 9 2.640 5.740 3.422
59 HA CYS 9 HA CYS 9 1.089 3.340 3.244
60 1HB CYS 9 1HB CYS 9 2.822 2.946 1.402
61 2HB CYS 9 2HB CYS 9 4.067 3.099 2.643
62 H ASP 10 H ASP 10 1.835 1.851 5.117
63 HA ASP 10 HA ASP 10 3.535 3.292 7.116
64 1HB ASP 10 1HB ASP 10 1.095 3.020 7.736
65 2HB ASP 10 2HB ASP 10 1.371 1.277 7.800
66 HD2 ASP 10 HD2 ASP 10 3.624 1.630 10.599
67 H PHE 11 H PHE 11 2.369 -0.057 6.454
68 HA PHE 11 HA PHE 11 4.949 -1.220 7.115
69 1HB PHE 11 1HB PHE 11 2.537 -2.474 5.805
70 2HB PHE 11 2HB PHE 11 3.853 -3.315 6.624
71 HD1 PHE 11 HD1 PHE 11 0.893 -3.715 7.051
72 HD2 PHE 11 HD2 PHE 11 3.787 -1.253 9.100
73 HE1 PHE 11 HE1 PHE 11 -0.547 -3.691 9.058
74 HE2 PHE 11 HE2 PHE 11 2.373 -1.281 11.117
75 HZ PHE 11 HZ PHE 11 0.181 -2.461 11.102
76 H CYS 12 H CYS 12 6.576 -1.008 5.709
77 HA CYS 12 HA CYS 12 6.125 -1.418 2.771
78 1HB CYS 12 1HB CYS 12 8.034 0.379 4.286
79 2HB CYS 12 2HB CYS 12 8.315 -0.110 2.615
80 HA PRO 13 HA PRO 13 9.048 -4.749 4.122
81 1HB PRO 13 1HB PRO 13 7.655 -6.980 3.484
82 2HB PRO 13 2HB PRO 13 7.384 -6.110 5.024
83 1HG PRO 13 1HG PRO 13 5.801 -5.832 2.454
84 2HG PRO 13 2HG PRO 13 5.173 -6.152 4.100
85 1HD PRO 13 1HD PRO 13 5.263 -3.629 3.039
86 2HD PRO 13 2HD PRO 13 5.585 -3.927 4.776
87 H CYS 14 H CYS 14 10.132 -6.220 2.634
88 HA CYS 14 HA CYS 14 9.475 -6.143 -0.189
89 1HB CYS 14 1HB CYS 14 10.639 -4.001 0.162
90 2HB CYS 14 2HB CYS 14 12.034 -4.847 0.859
91 H THR 15 H THR 15 10.901 -7.450 -1.447
92 HA THR 15 HA THR 15 11.789 -9.845 0.070
93 HB THR 15 HB THR 15 11.823 -10.891 -2.178
94 HG1 THR 15 HG1 THR 15 10.658 -8.468 -3.042
95 1HG2 THR 15 1HG2 THR 15 9.769 -11.016 -0.794
96 2HG2 THR 15 2HG2 THR 15 9.175 -9.513 -1.531
97 3HG2 THR 15 3HG2 THR 15 9.398 -10.962 -2.528
98 H ARG 16 H ARG 16 13.834 -10.828 -0.496
99 HA ARG 16 HA ARG 16 15.959 -8.780 -0.986
100 1HB ARG 16 1HB ARG 16 15.971 -11.425 0.493
101 2HB ARG 16 2HB ARG 16 17.359 -10.328 0.305
102 1HG ARG 16 1HG ARG 16 16.117 -8.529 1.464
103 2HG ARG 16 2HG ARG 16 14.752 -9.623 1.738
104 1HD ARG 16 1HD ARG 16 17.587 -10.068 2.788
105 2HD ARG 16 2HD ARG 16 16.249 -9.380 3.700
106 HE ARG 16 HE ARG 16 15.134 -11.398 3.818
107 1HH1 ARG 16 1HH1 ARG 16 18.162 -11.854 1.986
108 2HH1 ARG 16 2HH1 ARG 16 18.123 -13.589 2.154
109 1HH2 ARG 16 1HH2 ARG 16 15.128 -13.649 4.025
110 2HH2 ARG 16 2HH2 ARG 16 16.394 -14.612 3.308
111 H SER 17 H SER 17 14.619 -9.843 -3.214
112 HA SER 17 HA SER 17 16.400 -11.837 -4.440
113 1HB SER 17 1HB SER 17 14.547 -11.525 -6.252
114 2HB SER 17 2HB SER 17 14.150 -12.342 -4.740
115 HG SER 17 HG SER 17 12.580 -10.799 -5.210
116 H ILE 18 H ILE 18 16.589 -11.282 -6.891
117 HA ILE 18 HA ILE 18 17.612 -8.514 -7.258
118 HB ILE 18 HB ILE 18 19.344 -10.056 -6.575
119 1HG1 ILE 18 1HG1 ILE 18 19.968 -8.080 -7.719
120 2HG1 ILE 18 2HG1 ILE 18 21.027 -9.410 -8.182
121 1HG2 ILE 18 1HG2 ILE 18 18.561 -12.140 -7.680
122 2HG2 ILE 18 2HG2 ILE 18 19.198 -11.518 -9.217
123 3HG2 ILE 18 3HG2 ILE 18 20.281 -11.776 -7.850
124 1HD1 ILE 18 1HD1 ILE 18 20.554 -8.072 -10.122
125 2HD1 ILE 18 2HD1 ILE 18 19.734 -9.625 -10.341
126 3HD1 ILE 18 3HD1 ILE 18 18.813 -8.176 -9.869
127 HA PRO 19 HA PRO 19 16.710 -6.887 -8.299
128 1HB PRO 19 1HB PRO 19 14.394 -5.756 -9.124
129 2HB PRO 19 2HB PRO 19 15.818 -5.920 -10.191
130 1HG PRO 19 1HG PRO 19 13.413 -7.763 -10.034
131 2HG PRO 19 2HG PRO 19 14.134 -7.027 -11.498
132 1HD PRO 19 1HD PRO 19 14.760 -9.557 -10.704
133 2HD PRO 19 2HD PRO 19 16.007 -8.487 -11.408
134 HA PRO 20 HA PRO 20 13.912 -7.895 -4.827
135 1HB PRO 20 1HB PRO 20 13.838 -5.546 -3.495
136 2HB PRO 20 2HB PRO 20 15.311 -6.549 -3.584
137 1HG PRO 20 1HG PRO 20 14.602 -4.135 -5.275
138 2HG PRO 20 2HG PRO 20 16.134 -4.458 -4.412
139 1HD PRO 20 1HD PRO 20 15.806 -5.016 -7.070
140 2HD PRO 20 2HD PRO 20 16.798 -6.062 -6.011
141 H GLN 21 H GLN 21 11.711 -7.909 -4.533
142 HA GLN 21 HA GLN 21 9.993 -5.946 -5.994
143 1HB GLN 21 1HB GLN 21 9.424 -8.747 -4.897
144 2HB GLN 21 2HB GLN 21 8.215 -7.594 -5.410
145 1HG GLN 21 1HG GLN 21 8.345 -8.593 -7.395
146 2HG GLN 21 2HG GLN 21 9.772 -7.589 -7.657
147 1HE2 GLN 21 1HE2 GLN 21 11.925 -8.620 -7.090
148 2HE2 GLN 21 2HE2 GLN 21 12.074 -10.348 -7.267
149 H CYS 22 H CYS 22 9.609 -4.283 -4.678
150 HA CYS 22 HA CYS 22 9.148 -4.702 -1.763
151 1HB CYS 22 1HB CYS 22 9.810 -2.179 -3.288
152 2HB CYS 22 2HB CYS 22 9.621 -2.332 -1.546
153 H GLN 23 H GLN 23 7.323 -3.807 -0.779
154 HA GLN 23 HA GLN 23 5.152 -2.853 -2.536
155 1HB GLN 23 1HB GLN 23 3.787 -4.788 -1.741
156 2HB GLN 23 2HB GLN 23 5.086 -5.225 -2.860
157 1HG GLN 23 1HG GLN 23 6.457 -6.069 -1.004
158 2HG GLN 23 2HG GLN 23 5.251 -5.515 0.167
159 1HE2 GLN 23 1HE2 GLN 23 5.606 -7.623 -2.742
160 2HE2 GLN 23 2HE2 GLN 23 4.472 -8.843 -2.200
161 H CYS 24 H CYS 24 3.172 -2.441 -1.347
162 HA CYS 24 HA CYS 24 3.656 -1.510 1.452
163 1HB CYS 24 1HB CYS 24 3.134 0.306 -0.091
164 2HB CYS 24 2HB CYS 24 1.667 -0.535 -0.627
165 H THR 25 H THR 25 2.559 -2.544 2.994
166 HA THR 25 HA THR 25 0.357 -4.418 2.199
167 HB THR 25 HB THR 25 1.269 -5.898 3.950
168 HG1 THR 25 HG1 THR 25 3.348 -5.354 4.767
169 1HG2 THR 25 1HG2 THR 25 3.406 -5.061 1.936
170 2HG2 THR 25 2HG2 THR 25 3.228 -6.639 2.730
171 3HG2 THR 25 3HG2 THR 25 2.007 -6.094 1.565
172 H ASP 26 H ASP 26 0.636 -1.494 3.711
173 HA ASP 26 HA ASP 26 -0.633 -2.086 6.186
174 1HB ASP 26 1HB ASP 26 0.539 0.011 5.758
175 2HB ASP 26 2HB ASP 26 -0.776 0.529 4.677
176 HD2 ASP 26 HD2 ASP 26 -2.818 1.454 7.337
177 H VAL 27 H VAL 27 -2.655 -1.901 6.837
178 HA VAL 27 HA VAL 27 -4.825 -2.341 4.825
179 HB VAL 27 HB VAL 27 -4.667 -3.354 7.693
180 1HG1 VAL 27 1HG1 VAL 27 -6.592 -4.779 6.945
181 2HG1 VAL 27 2HG1 VAL 27 -6.965 -3.051 6.937
182 3HG1 VAL 27 3HG1 VAL 27 -6.626 -3.892 5.409
183 1HG2 VAL 27 1HG2 VAL 27 -4.342 -5.586 6.709
184 2HG2 VAL 27 2HG2 VAL 27 -4.268 -4.883 5.085
185 3HG2 VAL 27 3HG2 VAL 27 -2.996 -4.529 6.276
186 H ARG 28 H ARG 28 -6.409 -0.806 4.824
187 HA ARG 28 HA ARG 28 -6.957 0.991 7.033
188 1HB ARG 28 1HB ARG 28 -4.669 1.481 5.359
189 2HB ARG 28 2HB ARG 28 -5.852 2.632 4.828
190 1HG ARG 28 1HG ARG 28 -5.018 2.193 7.740
191 2HG ARG 28 2HG ARG 28 -4.297 3.395 6.663
192 1HD ARG 28 1HD ARG 28 -7.239 3.343 7.457
193 2HD ARG 28 2HD ARG 28 -5.985 4.355 8.191
194 HE ARG 28 HE ARG 28 -5.822 4.837 5.446
195 1HH1 ARG 28 1HH1 ARG 28 -8.193 5.317 8.039
196 2HH1 ARG 28 2HH1 ARG 28 -8.909 6.726 7.298
197 1HH2 ARG 28 1HH2 ARG 28 -6.754 6.690 4.487
198 2HH2 ARG 28 2HH2 ARG 28 -8.074 7.520 5.271
199 H GLU 29 H GLU 29 -7.846 3.158 5.403
200 HA GLU 29 HA GLU 29 -10.208 2.093 4.091
201 1HB GLU 29 1HB GLU 29 -9.718 4.375 5.407
202 2HB GLU 29 2HB GLU 29 -9.289 4.951 3.797
203 1HG GLU 29 1HG GLU 29 -11.601 4.039 3.074
204 2HG GLU 29 2HG GLU 29 -11.917 3.743 4.785
205 HE2 GLU 29 HE2 GLU 29 -11.679 7.347 5.460
206 H LYS 30 H LYS 30 -10.002 4.138 1.869
207 HA LYS 30 HA LYS 30 -9.325 2.276 -0.069
208 1HB LYS 30 1HB LYS 30 -9.337 5.260 -0.519
209 2HB LYS 30 2HB LYS 30 -9.662 3.983 -1.686
210 1HG LYS 30 1HG LYS 30 -11.689 3.313 -0.339
211 2HG LYS 30 2HG LYS 30 -11.439 4.757 0.664
212 1HD LYS 30 1HD LYS 30 -11.589 6.186 -1.362
213 2HD LYS 30 2HD LYS 30 -11.934 4.739 -2.337
214 1HE LYS 30 1HE LYS 30 -13.958 4.295 -0.976
215 2HE LYS 30 2HE LYS 30 -13.609 5.717 0.026
216 1HZ LYS 30 1HZ LYS 30 -14.163 5.773 -2.857
217 2HZ LYS 30 2HZ LYS 30 -15.231 6.164 -1.665
218 3HZ LYS 30 3HZ LYS 30 -13.884 7.083 -1.896
219 H CYS 31 H CYS 31 -7.757 2.237 -1.662
220 HA CYS 31 HA CYS 31 -5.064 2.507 -0.696
221 1HB CYS 31 1HB CYS 31 -4.592 1.691 -3.108
222 2HB CYS 31 2HB CYS 31 -5.267 0.621 -1.887
223 H HIS 32 H HIS 32 -3.378 3.650 -1.624
224 HA HIS 32 HA HIS 32 -4.147 6.369 -2.034
225 1HB HIS 32 1HB HIS 32 -1.815 6.878 -1.959
226 2HB HIS 32 2HB HIS 32 -2.338 5.916 -0.626
227 HD1 HIS 32 HD1 HIS 32 0.092 5.981 -3.479
228 HD2 HIS 32 HD2 HIS 32 -1.305 3.305 -0.558
229 HE1 HIS 32 HE1 HIS 32 1.702 4.006 -3.448
230 HE2 HIS 32 HE2 HIS 32 0.859 2.341 -1.680
231 H SER 33 H SER 33 -2.867 7.759 -3.536
232 HA SER 33 HA SER 33 -3.938 7.413 -6.117
233 1HB SER 33 1HB SER 33 -3.437 9.573 -5.008
234 2HB SER 33 2HB SER 33 -1.708 9.270 -5.295
235 HG SER 33 HG SER 33 -2.646 10.560 -6.928
236 H ALA 34 H ALA 34 -0.793 6.579 -4.843
237 HA ALA 34 HA ALA 34 0.228 5.834 -7.557
238 1HB ALA 34 1HB ALA 34 1.770 6.183 -4.967
239 2HB ALA 34 2HB ALA 34 2.414 6.011 -6.615
240 3HB ALA 34 3HB ALA 34 1.528 7.478 -6.162
241 H CYS 35 H CYS 35 -1.719 4.200 -6.241
242 HA CYS 35 HA CYS 35 -0.168 1.705 -5.742
243 1HB CYS 35 1HB CYS 35 -1.505 2.507 -3.815
244 2HB CYS 35 2HB CYS 35 -2.961 2.437 -4.806
245 H LYS 36 H LYS 36 -0.609 0.038 -7.133
246 HA LYS 36 HA LYS 36 -2.138 0.768 -9.569
247 1HB LYS 36 1HB LYS 36 0.311 0.365 -9.624
248 2HB LYS 36 2HB LYS 36 0.050 -1.301 -9.110
249 1HG LYS 36 1HG LYS 36 -1.405 -1.670 -11.123
250 2HG LYS 36 2HG LYS 36 -1.035 -0.027 -11.669
251 1HD LYS 36 1HD LYS 36 1.029 -2.229 -11.174
252 2HD LYS 36 2HD LYS 36 0.314 -1.846 -12.750
253 1HE LYS 36 1HE LYS 36 1.224 0.468 -12.607
254 2HE LYS 36 2HE LYS 36 2.016 0.056 -11.071
255 1HZ LYS 36 1HZ LYS 36 3.486 -0.133 -12.930
256 2HZ LYS 36 2HZ LYS 36 3.272 -1.597 -12.205
257 3HZ LYS 36 3HZ LYS 36 2.521 -1.266 -13.637
258 H SER 37 H SER 37 -1.341 -2.054 -7.588
259 HA SER 37 HA SER 37 -3.927 -3.379 -8.323
260 1HB SER 37 1HB SER 37 -1.824 -4.650 -8.799
261 2HB SER 37 2HB SER 37 -1.428 -4.590 -7.079
262 HG SER 37 HG SER 37 -3.720 -5.759 -8.293
263 H CYS 38 H CYS 38 -5.383 -3.781 -6.713
264 HA CYS 38 HA CYS 38 -4.810 -3.143 -3.897
265 1HB CYS 38 1HB CYS 38 -5.115 -0.991 -4.975
266 2HB CYS 38 2HB CYS 38 -6.597 -1.529 -5.761
267 H LEU 39 H LEU 39 -6.353 -3.998 -2.504
268 HA LEU 39 HA LEU 39 -8.716 -5.395 -3.547
269 1HB LEU 39 1HB LEU 39 -6.840 -6.983 -3.909
270 2HB LEU 39 2HB LEU 39 -6.353 -6.783 -2.221
271 HG LEU 39 HG LEU 39 -8.476 -7.849 -1.475
272 1HD1 LEU 39 1HD1 LEU 39 -8.941 -8.302 -4.464
273 2HD1 LEU 39 2HD1 LEU 39 -9.863 -9.058 -3.147
274 3HD1 LEU 39 3HD1 LEU 39 -9.960 -7.314 -3.399
275 1HD2 LEU 39 1HD2 LEU 39 -6.423 -9.160 -1.796
276 2HD2 LEU 39 2HD2 LEU 39 -7.873 -10.113 -2.150
277 3HD2 LEU 39 3HD2 LEU 39 -6.883 -9.479 -3.483
278 H CYS 40 H CYS 40 -10.152 -6.014 -1.831
279 HA CYS 40 HA CYS 40 -9.498 -4.973 0.864
280 1HB CYS 40 1HB CYS 40 -12.181 -4.602 -0.503
281 2HB CYS 40 2HB CYS 40 -11.651 -3.885 1.013
282 H THR 41 H THR 41 -11.013 -5.708 2.538
283 HA THR 41 HA THR 41 -11.294 -8.610 2.296
284 HB THR 41 HB THR 41 -11.828 -8.464 4.699
285 HG1 THR 41 HG1 THR 41 -11.922 -6.534 5.705
286 1HG2 THR 41 1HG2 THR 41 -9.374 -6.795 4.024
287 2HG2 THR 41 2HG2 THR 41 -9.658 -7.764 5.485
288 3HG2 THR 41 3HG2 THR 41 -9.454 -8.569 3.914
289 H ARG 42 H ARG 42 -13.207 -9.720 2.911
290 HA ARG 42 HA ARG 42 -15.726 -8.406 2.080
291 1HB ARG 42 1HB ARG 42 -16.584 -10.616 1.842
292 2HB ARG 42 2HB ARG 42 -15.059 -10.474 0.960
293 1HG ARG 42 1HG ARG 42 -13.898 -11.662 2.807
294 2HG ARG 42 2HG ARG 42 -15.447 -11.795 3.677
295 1HD ARG 42 1HD ARG 42 -16.400 -13.052 1.769
296 2HD ARG 42 2HD ARG 42 -14.833 -12.969 0.932
297 HE ARG 42 HE ARG 42 -14.256 -14.078 3.406
298 1HH1 ARG 42 1HH1 ARG 42 -16.392 -14.955 0.702
299 2HH1 ARG 42 2HH1 ARG 42 -16.275 -16.668 1.006
300 1HH2 ARG 42 1HH2 ARG 42 -14.102 -16.332 3.774
301 2HH2 ARG 42 2HH2 ARG 42 -14.963 -17.453 2.752
302 H SER 43 H SER 43 -14.166 -8.282 4.887
303 HA SER 43 HA SER 43 -15.995 -9.494 6.716
304 1HB SER 43 1HB SER 43 -14.511 -8.224 8.363
305 2HB SER 43 2HB SER 43 -13.719 -9.373 7.309
306 HG SER 43 HG SER 43 -13.834 -6.548 7.028
307 H PHE 44 H PHE 44 -16.537 -7.951 8.625
308 HA PHE 44 HA PHE 44 -17.810 -5.434 7.678
309 1HB PHE 44 1HB PHE 44 -19.508 -7.183 7.809
310 2HB PHE 44 2HB PHE 44 -19.122 -7.455 9.505
311 HD1 PHE 44 HD1 PHE 44 -20.064 -6.015 11.211
312 HD2 PHE 44 HD2 PHE 44 -20.357 -4.911 7.050
313 HE1 PHE 44 HE1 PHE 44 -21.545 -4.120 11.813
314 HE2 PHE 44 HE2 PHE 44 -21.830 -3.011 7.662
315 HZ PHE 44 HZ PHE 44 -22.404 -2.597 10.045
316 HA PRO 45 HA PRO 45 -17.341 -3.372 8.105
317 1HB PRO 45 1HB PRO 45 -15.236 -1.662 8.350
318 2HB PRO 45 2HB PRO 45 -16.660 -1.626 9.429
319 1HG PRO 45 1HG PRO 45 -14.010 -3.009 9.936
320 2HG PRO 45 2HG PRO 45 -14.870 -1.868 11.015
321 1HD PRO 45 1HD PRO 45 -15.128 -4.558 11.320
322 2HD PRO 45 2HD PRO 45 -16.544 -3.487 11.525
323 HA PRO 46 HA PRO 46 -14.278 -5.140 5.192
324 1HB PRO 46 1HB PRO 46 -14.709 -3.623 2.999
325 2HB PRO 46 2HB PRO 46 -15.958 -4.751 3.601
326 1HG PRO 46 1HG PRO 46 -15.757 -1.772 4.148
327 2HG PRO 46 2HG PRO 46 -17.181 -2.674 3.552
328 1HD PRO 46 1HD PRO 46 -16.809 -2.078 6.201
329 2HD PRO 46 2HD PRO 46 -17.583 -3.610 5.688
330 H GLN 47 H GLN 47 -12.184 -4.505 4.378
331 HA GLN 47 HA GLN 47 -11.215 -1.792 4.998
332 1HB GLN 47 1HB GLN 47 -11.095 -3.690 6.976
333 2HB GLN 47 2HB GLN 47 -9.629 -4.105 6.098
334 1HG GLN 47 1HG GLN 47 -9.134 -2.549 7.901
335 2HG GLN 47 2HG GLN 47 -8.829 -1.772 6.340
336 1HE2 GLN 47 1HE2 GLN 47 -11.801 -2.281 8.378
337 2HE2 GLN 47 2HE2 GLN 47 -12.258 -0.592 8.409
338 H CYS 48 H CYS 48 -9.542 -1.178 3.676
339 HA CYS 48 HA CYS 48 -9.021 -3.032 1.428
340 1HB CYS 48 1HB CYS 48 -9.244 -0.050 1.672
341 2HB CYS 48 2HB CYS 48 -8.613 -0.843 0.231
342 H ARG 49 H ARG 49 -7.031 -2.900 0.301
343 HA ARG 49 HA ARG 49 -4.619 -2.047 1.781
344 1HB ARG 49 1HB ARG 49 -5.389 -4.241 2.703
345 2HB ARG 49 2HB ARG 49 -5.209 -4.930 1.089
346 1HG ARG 49 1HG ARG 49 -2.675 -3.926 1.447
347 2HG ARG 49 2HG ARG 49 -3.172 -4.038 3.129
348 1HD ARG 49 1HD ARG 49 -2.038 -6.027 2.539
349 2HD ARG 49 2HD ARG 49 -3.743 -6.447 2.723
350 HE ARG 49 HE ARG 49 -2.202 -6.042 0.162
351 1HH1 ARG 49 1HH1 ARG 49 -5.103 -7.444 1.706
352 2HH1 ARG 49 2HH1 ARG 49 -5.576 -8.307 0.269
353 1HH2 ARG 49 1HH2 ARG 49 -2.842 -7.182 -1.663
354 2HH2 ARG 49 2HH2 ARG 49 -4.286 -8.161 -1.660
355 H CYS 50 H CYS 50 -2.778 -2.175 0.474
356 HA CYS 50 HA CYS 50 -3.221 -2.172 -2.451
357 1HB CYS 50 1HB CYS 50 -1.108 -1.117 -0.575
358 2HB CYS 50 2HB CYS 50 -0.694 -1.445 -2.251
359 H TYR 51 H TYR 51 -2.012 -3.380 -3.830
360 HA TYR 51 HA TYR 51 -0.297 -5.572 -2.806
361 1HB TYR 51 1HB TYR 51 -2.697 -6.279 -3.502
362 2HB TYR 51 2HB TYR 51 -2.250 -5.829 -5.121
363 HD1 TYR 51 HD1 TYR 51 -1.406 -7.550 -6.520
364 HD2 TYR 51 HD2 TYR 51 -0.952 -7.918 -2.244
365 HE1 TYR 51 HE1 TYR 51 -0.532 -9.847 -6.806
366 HE2 TYR 51 HE2 TYR 51 -0.094 -10.218 -2.536
367 HH TYR 51 HH TYR 51 0.458 -11.887 -4.036
368 H ASP 52 H ASP 52 0.034 -2.756 -3.952
369 HA ASP 52 HA ASP 52 0.955 -2.894 -6.635
370 1HB ASP 52 1HB ASP 52 0.212 -0.836 -5.496
371 2HB ASP 52 2HB ASP 52 1.565 -0.950 -4.364
372 HD2 ASP 52 HD2 ASP 52 3.255 1.213 -6.473
373 H ILE 53 H ILE 53 2.837 -3.708 -7.410
374 HA ILE 53 HA ILE 53 5.101 -4.250 -5.537
375 HB ILE 53 HB ILE 53 4.554 -5.502 -8.249
376 1HG1 ILE 53 1HG1 ILE 53 2.782 -6.284 -6.843
377 2HG1 ILE 53 2HG1 ILE 53 3.972 -7.566 -7.028
378 1HG2 ILE 53 1HG2 ILE 53 6.280 -7.139 -7.458
379 2HG2 ILE 53 2HG2 ILE 53 6.910 -5.504 -7.680
380 3HG2 ILE 53 3HG2 ILE 53 6.571 -6.096 -6.048
381 1HD1 ILE 53 1HD1 ILE 53 3.613 -5.792 -4.579
382 2HD1 ILE 53 2HD1 ILE 53 3.191 -7.499 -4.733
383 3HD1 ILE 53 3HD1 ILE 53 4.895 -7.012 -4.767
384 H THR 54 H THR 54 6.762 -2.924 -5.723
385 HA THR 54 HA THR 54 7.552 -1.773 -8.325
386 HB THR 54 HB THR 54 7.969 0.427 -7.013
387 HG1 THR 54 HG1 THR 54 7.523 -0.445 -4.930
388 1HG2 THR 54 1HG2 THR 54 6.200 0.244 -8.724
389 2HG2 THR 54 2HG2 THR 54 5.071 -0.358 -7.485
390 3HG2 THR 54 3HG2 THR 54 5.727 1.283 -7.366
391 H ASP 55 H ASP 55 9.778 -0.532 -7.808
392 HA ASP 55 HA ASP 55 11.549 -2.487 -6.531
393 1HB ASP 55 1HB ASP 55 12.057 -1.224 -8.655
394 2HB ASP 55 2HB ASP 55 12.217 0.245 -7.685
395 HD2 ASP 55 HD2 ASP 55 15.011 -2.711 -7.447
396 H PHE 56 H PHE 56 9.628 0.090 -5.445
397 HA PHE 56 HA PHE 56 11.267 0.641 -3.021
398 1HB PHE 56 1HB PHE 56 10.617 3.055 -3.394
399 2HB PHE 56 2HB PHE 56 11.699 2.399 -4.585
400 HD1 PHE 56 HD1 PHE 56 11.046 2.184 -6.922
401 HD2 PHE 56 HD2 PHE 56 8.185 3.474 -3.960
402 HE1 PHE 56 HE1 PHE 56 9.437 2.758 -8.719
403 HE2 PHE 56 HE2 PHE 56 6.576 4.000 -5.760
404 HZ PHE 56 HZ PHE 56 7.196 3.667 -8.138
405 H CYS 57 H CYS 57 9.692 2.353 -1.786
406 HA CYS 57 HA CYS 57 6.862 1.716 -1.895
407 1HB CYS 57 1HB CYS 57 7.827 -0.100 -0.489
408 2HB CYS 57 2HB CYS 57 8.459 1.113 0.622
409 H TYR 58 H TYR 58 5.640 3.290 -0.652
410 HA TYR 58 HA TYR 58 6.941 5.877 -0.670
411 1HB TYR 58 1HB TYR 58 4.105 4.913 -0.155
412 2HB TYR 58 2HB TYR 58 4.574 6.601 -0.068
413 HD1 TYR 58 HD1 TYR 58 5.175 7.901 -2.047
414 HD2 TYR 58 HD2 TYR 58 4.069 3.744 -2.356
415 HE1 TYR 58 HE1 TYR 58 5.254 8.063 -4.515
416 HE2 TYR 58 HE2 TYR 58 4.137 3.915 -4.828
417 HH TYR 58 HH TYR 58 5.217 6.896 -6.503
418 HA PRO 59 HA PRO 59 8.002 6.062 3.548
419 1HB PRO 59 1HB PRO 59 7.842 8.728 4.202
420 2HB PRO 59 2HB PRO 59 9.035 8.064 3.052
421 1HG PRO 59 1HG PRO 59 6.358 9.328 2.411
422 2HG PRO 59 2HG PRO 59 7.953 9.728 1.704
423 1HD PRO 59 1HD PRO 59 6.238 8.056 0.447
424 2HD PRO 59 2HD PRO 59 7.990 7.705 0.451
425 H SER 60 H SER 60 7.320 6.943 5.805
426 HA SER 60 HA SER 60 4.963 5.679 6.442
427 1HB SER 60 1HB SER 60 5.352 7.073 8.650
428 2HB SER 60 2HB SER 60 6.314 5.678 8.171
429 HG SER 60 HG SER 60 6.946 8.414 7.661
430 H CYS 61 H CYS 61 2.989 6.222 6.697
431 HA CYS 61 HA CYS 61 1.980 8.859 5.905
432 1HB CYS 61 1HB CYS 61 1.042 6.404 5.426
433 2HB CYS 61 2HB CYS 61 0.157 6.688 6.913
434 H SER 62 H SER 62 -0.029 9.592 7.229
435 HA SER 62 HA SER 62 0.642 10.024 10.057
436 1HB SER 62 1HB SER 62 -1.458 11.355 10.006
437 2HB SER 62 2HB SER 62 -0.289 11.875 8.777
438 HG SER 62 HG SER 62 -2.371 10.030 8.264
Start of MODEL 12
1 1H THR 1 1H THR 1 3.694 20.571 9.423
2 2H THR 1 2H THR 1 4.907 19.842 8.565
3 3H THR 1 3H THR 1 3.776 20.749 7.782
4 HA THR 1 HA THR 1 3.216 18.261 9.202
5 HB THR 1 HB THR 1 1.023 18.421 8.065
6 HG1 THR 1 HG1 THR 1 0.482 20.390 7.090
7 1HG2 THR 1 1HG2 THR 1 1.261 19.265 10.394
8 2HG2 THR 1 2HG2 THR 1 1.612 20.891 9.762
9 3HG2 THR 1 3HG2 THR 1 0.031 20.147 9.470
10 H LYS 2 H LYS 2 2.465 16.520 7.652
11 HA LYS 2 HA LYS 2 4.296 16.174 5.452
12 1HB LYS 2 1HB LYS 2 2.972 14.418 6.970
13 2HB LYS 2 2HB LYS 2 1.724 14.616 5.745
14 1HG LYS 2 1HG LYS 2 3.708 14.074 4.039
15 2HG LYS 2 2HG LYS 2 4.592 13.644 5.492
16 1HD LYS 2 1HD LYS 2 3.836 11.622 4.809
17 2HD LYS 2 2HD LYS 2 2.540 12.027 5.942
18 1HE LYS 2 1HE LYS 2 2.493 12.402 2.889
19 2HE LYS 2 2HE LYS 2 1.773 11.039 3.749
20 1HZ LYS 2 1HZ LYS 2 0.950 13.841 4.046
21 2HZ LYS 2 2HZ LYS 2 0.166 12.695 3.185
22 3HZ LYS 2 3HZ LYS 2 0.285 12.547 4.825
23 H SER 3 H SER 3 3.408 15.705 3.181
24 HA SER 3 HA SER 3 1.721 17.668 2.007
25 1HB SER 3 1HB SER 3 1.812 16.055 0.084
26 2HB SER 3 2HB SER 3 3.407 16.368 0.780
27 HG SER 3 HG SER 3 2.735 14.071 0.407
28 H THR 4 H THR 4 -0.203 16.543 0.553
29 HA THR 4 HA THR 4 -2.311 15.820 2.432
30 HB THR 4 HB THR 4 -3.719 15.979 0.402
31 HG1 THR 4 HG1 THR 4 -2.668 16.515 -1.549
32 1HG2 THR 4 1HG2 THR 4 -1.747 18.286 0.599
33 2HG2 THR 4 2HG2 THR 4 -3.370 18.316 -0.111
34 3HG2 THR 4 3HG2 THR 4 -3.174 18.036 1.628
35 H THR 5 H THR 5 -3.659 14.075 0.408
36 HA THR 5 HA THR 5 -2.612 11.526 1.339
37 HB THR 5 HB THR 5 -4.968 11.896 1.388
38 HG1 THR 5 HG1 THR 5 -4.227 10.052 -0.617
39 1HG2 THR 5 1HG2 THR 5 -5.341 13.483 -0.460
40 2HG2 THR 5 2HG2 THR 5 -4.944 12.226 -1.650
41 3HG2 THR 5 3HG2 THR 5 -6.370 12.057 -0.616
42 H THR 6 H THR 6 -0.537 12.421 0.048
43 HA THR 6 HA THR 6 -0.343 11.668 -2.744
44 HB THR 6 HB THR 6 2.068 11.970 -2.284
45 HG1 THR 6 HG1 THR 6 1.965 11.237 -0.081
46 1HG2 THR 6 1HG2 THR 6 0.346 14.210 -1.132
47 2HG2 THR 6 2HG2 THR 6 1.998 14.354 -1.767
48 3HG2 THR 6 3HG2 THR 6 0.668 13.927 -2.857
49 H ALA 7 H ALA 7 1.461 10.044 -3.281
50 HA ALA 7 HA ALA 7 0.720 7.408 -2.622
51 1HB ALA 7 1HB ALA 7 2.767 6.751 -3.733
52 2HB ALA 7 2HB ALA 7 1.995 8.094 -4.613
53 3HB ALA 7 3HB ALA 7 3.420 8.401 -3.602
54 H CYS 8 H CYS 8 0.886 6.391 -0.701
55 HA CYS 8 HA CYS 8 3.211 6.788 1.076
56 1HB CYS 8 1HB CYS 8 1.859 7.510 2.919
57 2HB CYS 8 2HB CYS 8 1.552 8.595 1.599
58 H CYS 9 H CYS 9 2.298 5.644 3.244
59 HA CYS 9 HA CYS 9 0.980 3.108 2.968
60 1HB CYS 9 1HB CYS 9 3.196 2.819 1.644
61 2HB CYS 9 2HB CYS 9 4.012 2.987 3.194
62 H ASP 10 H ASP 10 1.877 1.778 5.101
63 HA ASP 10 HA ASP 10 2.182 3.735 7.350
64 1HB ASP 10 1HB ASP 10 0.082 2.363 7.263
65 2HB ASP 10 2HB ASP 10 1.064 0.909 7.517
66 HD2 ASP 10 HD2 ASP 10 1.937 2.032 10.851
67 H PHE 11 H PHE 11 2.970 0.410 6.246
68 HA PHE 11 HA PHE 11 5.777 1.050 6.382
69 1HB PHE 11 1HB PHE 11 5.601 0.161 8.623
70 2HB PHE 11 2HB PHE 11 4.631 -1.205 8.064
71 HD1 PHE 11 HD1 PHE 11 5.789 -3.253 8.035
72 HD2 PHE 11 HD2 PHE 11 7.980 0.376 7.240
73 HE1 PHE 11 HE1 PHE 11 7.820 -4.580 7.565
74 HE2 PHE 11 HE2 PHE 11 9.993 -0.965 6.698
75 HZ PHE 11 HZ PHE 11 9.912 -3.446 6.835
76 H CYS 12 H CYS 12 6.956 -0.166 4.930
77 HA CYS 12 HA CYS 12 5.507 -2.081 3.241
78 1HB CYS 12 1HB CYS 12 6.886 -0.739 1.355
79 2HB CYS 12 2HB CYS 12 5.216 -0.459 1.786
80 HA PRO 13 HA PRO 13 9.624 -3.892 3.997
81 1HB PRO 13 1HB PRO 13 8.903 -6.520 3.998
82 2HB PRO 13 2HB PRO 13 8.624 -5.455 5.401
83 1HG PRO 13 1HG PRO 13 6.654 -6.196 3.224
84 2HG PRO 13 2HG PRO 13 6.402 -6.262 4.993
85 1HD PRO 13 1HD PRO 13 5.574 -4.184 3.461
86 2HD PRO 13 2HD PRO 13 6.178 -3.907 5.122
87 H CYS 14 H CYS 14 10.881 -5.411 2.645
88 HA CYS 14 HA CYS 14 9.899 -5.693 -0.133
89 1HB CYS 14 1HB CYS 14 12.683 -4.861 0.728
90 2HB CYS 14 2HB CYS 14 12.147 -5.090 -0.925
91 H THR 15 H THR 15 10.891 -7.324 -1.324
92 HA THR 15 HA THR 15 11.346 -9.770 0.226
93 HB THR 15 HB THR 15 11.132 -10.800 -2.054
94 HG1 THR 15 HG1 THR 15 10.518 -8.149 -2.861
95 1HG2 THR 15 1HG2 THR 15 9.121 -10.500 -0.634
96 2HG2 THR 15 2HG2 THR 15 8.860 -8.886 -1.331
97 3HG2 THR 15 3HG2 THR 15 8.738 -10.328 -2.356
98 H ARG 16 H ARG 16 13.128 -11.201 -0.365
99 HA ARG 16 HA ARG 16 15.654 -9.700 -0.935
100 1HB ARG 16 1HB ARG 16 15.122 -12.311 0.517
101 2HB ARG 16 2HB ARG 16 16.708 -11.546 0.284
102 1HG ARG 16 1HG ARG 16 15.953 -9.562 1.559
103 2HG ARG 16 2HG ARG 16 14.390 -10.338 1.861
104 1HD ARG 16 1HD ARG 16 17.101 -11.411 2.780
105 2HD ARG 16 2HD ARG 16 15.942 -10.532 3.768
106 HE ARG 16 HE ARG 16 14.473 -12.310 3.835
107 1HH1 ARG 16 1HH1 ARG 16 17.290 -13.216 1.843
108 2HH1 ARG 16 2HH1 ARG 16 16.948 -14.922 1.949
109 1HH2 ARG 16 1HH2 ARG 16 14.055 -14.533 3.936
110 2HH2 ARG 16 2HH2 ARG 16 15.099 -15.671 3.127
111 H SER 17 H SER 17 13.877 -10.541 -3.069
112 HA SER 17 HA SER 17 15.202 -12.802 -4.389
113 1HB SER 17 1HB SER 17 13.394 -12.073 -6.139
114 2HB SER 17 2HB SER 17 12.892 -12.851 -4.636
115 HG SER 17 HG SER 17 11.660 -10.987 -5.074
116 H ILE 18 H ILE 18 15.466 -12.298 -6.809
117 HA ILE 18 HA ILE 18 17.072 -9.834 -7.200
118 HB ILE 18 HB ILE 18 18.503 -11.598 -6.590
119 1HG1 ILE 18 1HG1 ILE 18 20.017 -11.751 -8.501
120 2HG1 ILE 18 2HG1 ILE 18 18.737 -11.256 -9.615
121 1HG2 ILE 18 1HG2 ILE 18 17.490 -13.388 -8.824
122 2HG2 ILE 18 2HG2 ILE 18 18.824 -13.691 -7.718
123 3HG2 ILE 18 3HG2 ILE 18 17.180 -13.601 -7.089
124 1HD1 ILE 18 1HD1 ILE 18 19.706 -9.533 -7.290
125 2HD1 ILE 18 2HD1 ILE 18 20.379 -9.445 -8.930
126 3HD1 ILE 18 3HD1 ILE 18 18.681 -9.031 -8.658
127 HA PRO 19 HA PRO 19 16.521 -8.021 -8.201
128 1HB PRO 19 1HB PRO 19 14.566 -6.375 -9.060
129 2HB PRO 19 2HB PRO 19 15.919 -6.892 -10.107
130 1HG PRO 19 1HG PRO 19 13.136 -8.098 -9.986
131 2HG PRO 19 2HG PRO 19 14.029 -7.555 -11.436
132 1HD PRO 19 1HD PRO 19 14.038 -10.162 -10.646
133 2HD PRO 19 2HD PRO 19 15.508 -9.407 -11.324
134 HA PRO 20 HA PRO 20 13.562 -8.406 -4.774
135 1HB PRO 20 1HB PRO 20 14.169 -6.260 -3.268
136 2HB PRO 20 2HB PRO 20 15.346 -7.579 -3.535
137 1HG PRO 20 1HG PRO 20 15.187 -4.937 -5.018
138 2HG PRO 20 2HG PRO 20 16.623 -5.681 -4.256
139 1HD PRO 20 1HD PRO 20 16.051 -5.960 -6.930
140 2HD PRO 20 2HD PRO 20 16.831 -7.266 -5.985
141 H GLN 21 H GLN 21 11.453 -7.820 -4.460
142 HA GLN 21 HA GLN 21 10.374 -5.355 -5.762
143 1HB GLN 21 1HB GLN 21 9.064 -7.972 -4.892
144 2HB GLN 21 2HB GLN 21 8.225 -6.558 -5.514
145 1HG GLN 21 1HG GLN 21 8.517 -7.305 -7.599
146 2HG GLN 21 2HG GLN 21 10.252 -7.057 -7.438
147 1HE2 GLN 21 1HE2 GLN 21 11.607 -8.907 -6.817
148 2HE2 GLN 21 2HE2 GLN 21 11.002 -10.528 -7.065
149 H CYS 22 H CYS 22 8.731 -4.237 -4.516
150 HA CYS 22 HA CYS 22 8.865 -4.557 -1.567
151 1HB CYS 22 1HB CYS 22 9.090 -1.983 -3.112
152 2HB CYS 22 2HB CYS 22 8.896 -2.100 -1.364
153 H GLN 23 H GLN 23 7.051 -4.088 -0.504
154 HA GLN 23 HA GLN 23 4.586 -3.350 -2.006
155 1HB GLN 23 1HB GLN 23 4.881 -5.904 -0.357
156 2HB GLN 23 2HB GLN 23 3.429 -5.335 -1.199
157 1HG GLN 23 1HG GLN 23 4.647 -5.562 -3.378
158 2HG GLN 23 2HG GLN 23 6.036 -6.235 -2.503
159 1HE2 GLN 23 1HE2 GLN 23 5.937 -8.196 -3.675
160 2HE2 GLN 23 2HE2 GLN 23 4.704 -9.390 -3.332
161 H CYS 24 H CYS 24 2.706 -3.327 -0.316
162 HA CYS 24 HA CYS 24 3.664 -2.069 2.225
163 1HB CYS 24 1HB CYS 24 1.114 -1.857 0.646
164 2HB CYS 24 2HB CYS 24 1.187 -1.426 2.337
165 H THR 25 H THR 25 2.860 -2.760 4.164
166 HA THR 25 HA THR 25 1.156 -5.228 4.199
167 HB THR 25 HB THR 25 3.227 -5.617 5.353
168 HG1 THR 25 HG1 THR 25 1.224 -6.344 6.261
169 1HG2 THR 25 1HG2 THR 25 3.716 -4.263 7.435
170 2HG2 THR 25 2HG2 THR 25 4.040 -3.464 5.892
171 3HG2 THR 25 3HG2 THR 25 2.585 -3.032 6.824
172 H ASP 26 H ASP 26 1.222 -1.830 4.502
173 HA ASP 26 HA ASP 26 -0.715 -1.254 6.399
174 1HB ASP 26 1HB ASP 26 0.669 0.352 5.244
175 2HB ASP 26 2HB ASP 26 -0.138 0.016 3.700
176 HD2 ASP 26 HD2 ASP 26 -2.599 1.773 6.369
177 H VAL 27 H VAL 27 -2.796 -0.793 6.257
178 HA VAL 27 HA VAL 27 -4.557 -1.535 4.055
179 HB VAL 27 HB VAL 27 -4.700 -2.820 6.823
180 1HG1 VAL 27 1HG1 VAL 27 -6.828 -3.922 5.749
181 2HG1 VAL 27 2HG1 VAL 27 -6.926 -2.301 6.456
182 3HG1 VAL 27 3HG1 VAL 27 -6.832 -2.489 4.706
183 1HG2 VAL 27 1HG2 VAL 27 -4.838 -4.948 5.368
184 2HG2 VAL 27 2HG2 VAL 27 -4.257 -3.934 4.033
185 3HG2 VAL 27 3HG2 VAL 27 -3.273 -4.146 5.482
186 H ARG 28 H ARG 28 -6.509 -0.304 4.205
187 HA ARG 28 HA ARG 28 -6.865 1.588 6.424
188 1HB ARG 28 1HB ARG 28 -4.990 2.349 4.648
189 2HB ARG 28 2HB ARG 28 -6.370 2.710 3.644
190 1HG ARG 28 1HG ARG 28 -6.452 4.713 4.670
191 2HG ARG 28 2HG ARG 28 -7.023 3.903 6.136
192 1HD ARG 28 1HD ARG 28 -4.144 4.525 5.363
193 2HD ARG 28 2HD ARG 28 -5.113 5.296 6.631
194 HE ARG 28 HE ARG 28 -4.702 2.367 6.834
195 1HH1 ARG 28 1HH1 ARG 28 -3.607 5.592 7.947
196 2HH1 ARG 28 2HH1 ARG 28 -2.701 4.931 9.272
197 1HH2 ARG 28 1HH2 ARG 28 -3.440 1.555 8.520
198 2HH2 ARG 28 2HH2 ARG 28 -2.527 2.633 9.551
199 H GLU 29 H GLU 29 -8.465 3.395 4.714
200 HA GLU 29 HA GLU 29 -10.623 1.673 3.740
201 1HB GLU 29 1HB GLU 29 -11.049 3.800 4.953
202 2HB GLU 29 2HB GLU 29 -10.219 4.707 3.695
203 1HG GLU 29 1HG GLU 29 -12.693 4.713 3.591
204 2HG GLU 29 2HG GLU 29 -11.953 4.135 2.094
205 HE2 GLU 29 HE2 GLU 29 -14.075 1.538 4.387
206 H LYS 30 H LYS 30 -9.996 4.321 1.617
207 HA LYS 30 HA LYS 30 -9.288 2.476 -0.455
208 1HB LYS 30 1HB LYS 30 -9.088 5.499 -0.506
209 2HB LYS 30 2HB LYS 30 -9.132 4.411 -1.885
210 1HG LYS 30 1HG LYS 30 -11.427 4.991 0.017
211 2HG LYS 30 2HG LYS 30 -11.271 5.419 -1.688
212 1HD LYS 30 1HD LYS 30 -11.174 2.907 -2.209
213 2HD LYS 30 2HD LYS 30 -11.571 2.619 -0.504
214 1HE LYS 30 1HE LYS 30 -13.611 2.477 -1.729
215 2HE LYS 30 2HE LYS 30 -13.660 3.984 -0.799
216 1HZ LYS 30 1HZ LYS 30 -13.023 5.139 -2.813
217 2HZ LYS 30 2HZ LYS 30 -12.983 3.720 -3.651
218 3HZ LYS 30 3HZ LYS 30 -14.409 4.281 -3.046
219 H CYS 31 H CYS 31 -7.504 2.638 -1.845
220 HA CYS 31 HA CYS 31 -4.951 2.561 -0.456
221 1HB CYS 31 1HB CYS 31 -4.202 1.709 -2.720
222 2HB CYS 31 2HB CYS 31 -5.308 0.723 -1.789
223 H HIS 32 H HIS 32 -3.024 3.467 -1.571
224 HA HIS 32 HA HIS 32 -3.433 6.267 -1.508
225 1HB HIS 32 1HB HIS 32 -1.048 6.501 -1.692
226 2HB HIS 32 2HB HIS 32 -1.501 5.311 -0.527
227 HD1 HIS 32 HD1 HIS 32 0.172 5.652 -3.920
228 HD2 HIS 32 HD2 HIS 32 -0.582 2.767 -0.975
229 HE1 HIS 32 HE1 HIS 32 1.438 3.559 -4.606
230 HE2 HIS 32 HE2 HIS 32 1.046 1.787 -2.786
231 H SER 33 H SER 33 -2.271 7.759 -2.895
232 HA SER 33 HA SER 33 -3.706 8.196 -5.207
233 1HB SER 33 1HB SER 33 -2.495 9.911 -3.926
234 2HB SER 33 2HB SER 33 -0.966 9.286 -4.571
235 HG SER 33 HG SER 33 -1.842 9.766 -6.682
236 H ALA 34 H ALA 34 -0.602 6.626 -4.898
237 HA ALA 34 HA ALA 34 -0.384 6.241 -7.858
238 1HB ALA 34 1HB ALA 34 1.485 7.440 -6.715
239 2HB ALA 34 2HB ALA 34 1.744 5.995 -5.699
240 3HB ALA 34 3HB ALA 34 2.021 5.917 -7.446
241 H CYS 35 H CYS 35 -2.041 4.576 -5.976
242 HA CYS 35 HA CYS 35 -0.670 1.954 -6.170
243 1HB CYS 35 1HB CYS 35 -1.926 2.585 -4.086
244 2HB CYS 35 2HB CYS 35 -3.407 2.571 -5.049
245 H LYS 36 H LYS 36 -1.054 0.638 -7.903
246 HA LYS 36 HA LYS 36 -3.059 1.522 -9.898
247 1HB LYS 36 1HB LYS 36 -0.467 1.223 -10.282
248 2HB LYS 36 2HB LYS 36 -0.881 -0.483 -10.474
249 1HG LYS 36 1HG LYS 36 -2.583 0.164 -12.210
250 2HG LYS 36 2HG LYS 36 -2.116 1.861 -11.993
251 1HD LYS 36 1HD LYS 36 0.235 1.250 -12.685
252 2HD LYS 36 2HD LYS 36 -0.334 -0.401 -12.984
253 1HE LYS 36 1HE LYS 36 -0.296 0.745 -15.098
254 2HE LYS 36 2HE LYS 36 -1.995 0.524 -14.652
255 1HZ LYS 36 1HZ LYS 36 -0.439 2.991 -14.262
256 2HZ LYS 36 2HZ LYS 36 -1.503 2.720 -15.489
257 3HZ LYS 36 3HZ LYS 36 -2.043 2.796 -13.937
258 H SER 37 H SER 37 -1.825 -1.394 -8.314
259 HA SER 37 HA SER 37 -4.357 -2.871 -8.946
260 1HB SER 37 1HB SER 37 -2.172 -3.949 -9.533
261 2HB SER 37 2HB SER 37 -1.754 -3.984 -7.819
262 HG SER 37 HG SER 37 -3.707 -5.220 -7.528
263 H CYS 38 H CYS 38 -5.755 -3.177 -7.292
264 HA CYS 38 HA CYS 38 -4.993 -2.675 -4.473
265 1HB CYS 38 1HB CYS 38 -5.346 -0.498 -5.540
266 2HB CYS 38 2HB CYS 38 -6.934 -0.997 -6.113
267 H LEU 39 H LEU 39 -6.417 -3.626 -3.021
268 HA LEU 39 HA LEU 39 -8.747 -5.119 -4.006
269 1HB LEU 39 1HB LEU 39 -6.609 -6.414 -4.592
270 2HB LEU 39 2HB LEU 39 -6.295 -6.531 -2.861
271 HG LEU 39 HG LEU 39 -8.390 -7.850 -2.578
272 1HD1 LEU 39 1HD1 LEU 39 -9.836 -7.057 -4.350
273 2HD1 LEU 39 2HD1 LEU 39 -8.639 -7.480 -5.595
274 3HD1 LEU 39 3HD1 LEU 39 -9.478 -8.752 -4.685
275 1HD2 LEU 39 1HD2 LEU 39 -7.580 -9.872 -3.648
276 2HD2 LEU 39 2HD2 LEU 39 -6.592 -8.927 -4.784
277 3HD2 LEU 39 3HD2 LEU 39 -6.197 -8.936 -3.054
278 H CYS 40 H CYS 40 -9.886 -6.228 -2.168
279 HA CYS 40 HA CYS 40 -9.299 -4.915 0.454
280 1HB CYS 40 1HB CYS 40 -12.023 -5.488 -0.722
281 2HB CYS 40 2HB CYS 40 -11.686 -4.573 0.742
282 H THR 41 H THR 41 -10.459 -5.959 2.306
283 HA THR 41 HA THR 41 -10.296 -8.926 2.057
284 HB THR 41 HB THR 41 -8.910 -8.053 3.840
285 HG1 THR 41 HG1 THR 41 -9.983 -10.035 4.076
286 1HG2 THR 41 1HG2 THR 41 -9.947 -7.088 5.870
287 2HG2 THR 41 2HG2 THR 41 -10.057 -6.002 4.478
288 3HG2 THR 41 3HG2 THR 41 -11.490 -6.921 5.010
289 H ARG 42 H ARG 42 -12.036 -10.169 2.787
290 HA ARG 42 HA ARG 42 -14.680 -8.924 2.387
291 1HB ARG 42 1HB ARG 42 -15.451 -11.174 2.077
292 2HB ARG 42 2HB ARG 42 -14.070 -10.851 1.021
293 1HG ARG 42 1HG ARG 42 -12.589 -12.118 2.487
294 2HG ARG 42 2HG ARG 42 -13.897 -12.334 3.677
295 1HD ARG 42 1HD ARG 42 -15.228 -13.556 2.018
296 2HD ARG 42 2HD ARG 42 -13.924 -13.382 0.817
297 HE ARG 42 HE ARG 42 -12.658 -14.536 2.961
298 1HH1 ARG 42 1HH1 ARG 42 -15.507 -15.411 1.032
299 2HH1 ARG 42 2HH1 ARG 42 -15.327 -17.125 1.307
300 1HH2 ARG 42 1HH2 ARG 42 -12.421 -16.785 3.303
301 2HH2 ARG 42 2HH2 ARG 42 -13.555 -17.910 2.599
302 H SER 43 H SER 43 -12.857 -8.926 5.021
303 HA SER 43 HA SER 43 -14.340 -10.325 6.975
304 1HB SER 43 1HB SER 43 -12.652 -7.818 7.304
305 2HB SER 43 2HB SER 43 -13.035 -9.027 8.528
306 HG SER 43 HG SER 43 -11.457 -9.445 6.209
307 H PHE 44 H PHE 44 -15.322 -9.002 8.849
308 HA PHE 44 HA PHE 44 -17.011 -6.741 7.889
309 1HB PHE 44 1HB PHE 44 -18.407 -8.674 8.178
310 2HB PHE 44 2HB PHE 44 -17.789 -8.938 9.806
311 HD1 PHE 44 HD1 PHE 44 -19.672 -6.504 7.657
312 HD2 PHE 44 HD2 PHE 44 -18.741 -7.752 11.682
313 HE1 PHE 44 HE1 PHE 44 -21.379 -4.937 8.544
314 HE2 PHE 44 HE2 PHE 44 -20.459 -6.194 12.557
315 HZ PHE 44 HZ PHE 44 -21.773 -4.779 10.993
316 HA PRO 45 HA PRO 45 -16.985 -4.636 8.225
317 1HB PRO 45 1HB PRO 45 -15.442 -2.425 8.402
318 2HB PRO 45 2HB PRO 45 -16.766 -2.785 9.547
319 1HG PRO 45 1HG PRO 45 -13.816 -3.363 9.955
320 2HG PRO 45 2HG PRO 45 -14.925 -2.493 11.053
321 1HD PRO 45 1HD PRO 45 -14.381 -5.160 11.326
322 2HD PRO 45 2HD PRO 45 -16.011 -4.512 11.663
323 HA PRO 46 HA PRO 46 -13.597 -5.670 5.291
324 1HB PRO 46 1HB PRO 46 -14.579 -4.641 3.003
325 2HB PRO 46 2HB PRO 46 -15.371 -6.014 3.827
326 1HG PRO 46 1HG PRO 46 -16.147 -3.088 3.986
327 2HG PRO 46 2HG PRO 46 -17.198 -4.494 3.662
328 1HD PRO 46 1HD PRO 46 -16.904 -3.399 6.175
329 2HD PRO 46 2HD PRO 46 -17.182 -5.147 5.910
330 H GLN 47 H GLN 47 -11.674 -4.670 5.011
331 HA GLN 47 HA GLN 47 -11.479 -1.696 4.807
332 1HB GLN 47 1HB GLN 47 -9.657 -3.829 6.010
333 2HB GLN 47 2HB GLN 47 -9.099 -2.235 5.524
334 1HG GLN 47 1HG GLN 47 -9.528 -2.201 7.893
335 2HG GLN 47 2HG GLN 47 -10.659 -1.131 7.057
336 1HE2 GLN 47 1HE2 GLN 47 -10.387 -4.558 8.216
337 2HE2 GLN 47 2HE2 GLN 47 -12.074 -4.692 8.675
338 H CYS 48 H CYS 48 -9.955 -0.931 3.205
339 HA CYS 48 HA CYS 48 -9.356 -2.904 1.066
340 1HB CYS 48 1HB CYS 48 -10.295 -0.064 0.906
341 2HB CYS 48 2HB CYS 48 -9.544 -0.917 -0.436
342 H ARG 49 H ARG 49 -7.521 -2.539 -0.213
343 HA ARG 49 HA ARG 49 -5.180 -1.659 1.412
344 1HB ARG 49 1HB ARG 49 -5.540 -4.420 0.249
345 2HB ARG 49 2HB ARG 49 -4.378 -3.868 1.457
346 1HG ARG 49 1HG ARG 49 -6.223 -3.646 3.061
347 2HG ARG 49 2HG ARG 49 -7.401 -4.202 1.870
348 1HD ARG 49 1HD ARG 49 -5.003 -5.900 2.588
349 2HD ARG 49 2HD ARG 49 -6.490 -5.903 3.535
350 HE ARG 49 HE ARG 49 -7.724 -6.836 1.824
351 1HH1 ARG 49 1HH1 ARG 49 -4.366 -6.403 0.708
352 2HH1 ARG 49 2HH1 ARG 49 -4.562 -7.492 -0.638
353 1HH2 ARG 49 1HH2 ARG 49 -7.975 -8.151 -0.012
354 2HH2 ARG 49 2HH2 ARG 49 -6.612 -8.479 -1.046
355 H CYS 50 H CYS 50 -3.242 -1.416 0.145
356 HA CYS 50 HA CYS 50 -3.612 -1.352 -2.779
357 1HB CYS 50 1HB CYS 50 -2.394 0.482 -1.603
358 2HB CYS 50 2HB CYS 50 -1.154 -0.684 -1.120
359 H TYR 51 H TYR 51 -2.754 -2.841 -4.195
360 HA TYR 51 HA TYR 51 -1.378 -5.246 -3.084
361 1HB TYR 51 1HB TYR 51 -3.641 -5.437 -4.284
362 2HB TYR 51 2HB TYR 51 -2.812 -4.923 -5.731
363 HD1 TYR 51 HD1 TYR 51 -1.162 -6.393 -6.867
364 HD2 TYR 51 HD2 TYR 51 -3.284 -7.675 -3.333
365 HE1 TYR 51 HE1 TYR 51 -0.409 -8.715 -7.256
366 HE2 TYR 51 HE2 TYR 51 -2.569 -10.011 -3.762
367 HH TYR 51 HH TYR 51 -0.434 -10.887 -6.500
368 H ASP 52 H ASP 52 -1.121 -2.492 -5.223
369 HA ASP 52 HA ASP 52 0.470 -3.221 -7.246
370 1HB ASP 52 1HB ASP 52 -0.518 -0.981 -6.836
371 2HB ASP 52 2HB ASP 52 0.736 -0.654 -5.633
372 HD2 ASP 52 HD2 ASP 52 1.992 -0.970 -9.491
373 H ILE 53 H ILE 53 2.595 -3.372 -7.787
374 HA ILE 53 HA ILE 53 4.511 -3.977 -5.590
375 HB ILE 53 HB ILE 53 4.605 -4.767 -8.529
376 1HG1 ILE 53 1HG1 ILE 53 2.581 -5.778 -7.687
377 2HG1 ILE 53 2HG1 ILE 53 3.826 -6.997 -7.921
378 1HG2 ILE 53 1HG2 ILE 53 6.096 -5.795 -6.083
379 2HG2 ILE 53 2HG2 ILE 53 6.183 -6.508 -7.707
380 3HG2 ILE 53 3HG2 ILE 53 6.775 -4.866 -7.429
381 1HD1 ILE 53 1HD1 ILE 53 3.093 -5.773 -5.225
382 2HD1 ILE 53 2HD1 ILE 53 2.549 -7.342 -5.836
383 3HD1 ILE 53 3HD1 ILE 53 4.271 -7.074 -5.515
384 H THR 54 H THR 54 6.213 -2.608 -5.346
385 HA THR 54 HA THR 54 7.129 -1.012 -7.686
386 HB THR 54 HB THR 54 7.693 0.817 -5.971
387 HG1 THR 54 HG1 THR 54 7.354 -0.211 -4.045
388 1HG2 THR 54 1HG2 THR 54 4.740 0.268 -6.418
389 2HG2 THR 54 2HG2 THR 54 5.521 1.838 -6.115
390 3HG2 THR 54 3HG2 THR 54 5.837 0.971 -7.626
391 H ASP 55 H ASP 55 9.403 -0.123 -7.176
392 HA ASP 55 HA ASP 55 11.068 -2.387 -6.256
393 1HB ASP 55 1HB ASP 55 11.480 -1.249 -8.427
394 2HB ASP 55 2HB ASP 55 11.827 0.254 -7.563
395 HD2 ASP 55 HD2 ASP 55 14.429 -2.859 -7.054
396 H PHE 56 H PHE 56 9.672 0.418 -4.940
397 HA PHE 56 HA PHE 56 11.678 0.615 -2.741
398 1HB PHE 56 1HB PHE 56 11.213 3.077 -2.808
399 2HB PHE 56 2HB PHE 56 12.047 2.465 -4.211
400 HD1 PHE 56 HD1 PHE 56 10.960 2.495 -6.436
401 HD2 PHE 56 HD2 PHE 56 8.829 3.794 -2.916
402 HE1 PHE 56 HE1 PHE 56 9.088 3.294 -7.854
403 HE2 PHE 56 HE2 PHE 56 6.968 4.589 -4.339
404 HZ PHE 56 HZ PHE 56 7.082 4.322 -6.808
405 H CYS 57 H CYS 57 10.745 1.978 -1.004
406 HA CYS 57 HA CYS 57 7.925 1.220 -0.332
407 1HB CYS 57 1HB CYS 57 9.431 0.123 1.118
408 2HB CYS 57 2HB CYS 57 10.383 1.598 1.346
409 H TYR 58 H TYR 58 6.610 2.775 0.235
410 HA TYR 58 HA TYR 58 7.092 5.492 -0.571
411 1HB TYR 58 1HB TYR 58 4.716 4.298 0.903
412 2HB TYR 58 2HB TYR 58 4.729 5.732 -0.101
413 HD1 TYR 58 HD1 TYR 58 4.632 5.628 -2.527
414 HD2 TYR 58 HD2 TYR 58 4.689 2.036 -0.139
415 HE1 TYR 58 HE1 TYR 58 3.895 4.304 -4.488
416 HE2 TYR 58 HE2 TYR 58 3.958 0.719 -2.097
417 HH TYR 58 HH TYR 58 3.474 0.754 -4.356
418 HA PRO 59 HA PRO 59 7.777 7.111 3.624
419 1HB PRO 59 1HB PRO 59 6.599 9.578 3.542
420 2HB PRO 59 2HB PRO 59 8.113 9.199 2.676
421 1HG PRO 59 1HG PRO 59 5.291 9.181 1.561
422 2HG PRO 59 2HG PRO 59 6.725 9.996 0.873
423 1HD PRO 59 1HD PRO 59 5.907 7.567 0.001
424 2HD PRO 59 2HD PRO 59 7.647 7.923 0.147
425 H SER 60 H SER 60 6.515 7.545 5.619
426 HA SER 60 HA SER 60 4.178 5.987 5.714
427 1HB SER 60 1HB SER 60 4.096 7.046 8.089
428 2HB SER 60 2HB SER 60 5.371 5.918 7.639
429 HG SER 60 HG SER 60 5.535 8.763 7.591
430 H CYS 61 H CYS 61 2.084 6.575 6.211
431 HA CYS 61 HA CYS 61 1.210 9.163 5.085
432 1HB CYS 61 1HB CYS 61 0.318 6.594 4.667
433 2HB CYS 61 2HB CYS 61 -0.875 7.182 5.800
434 H SER 62 H SER 62 -1.237 9.538 6.228
435 HA SER 62 HA SER 62 -0.775 10.085 9.110
436 1HB SER 62 1HB SER 62 -3.049 10.801 7.218
437 2HB SER 62 2HB SER 62 -2.969 11.228 8.939
438 HG SER 62 HG SER 62 -1.029 11.955 7.001
Start of MODEL 13
1 1H THR 1 1H THR 1 1.199 28.859 3.303
2 2H THR 1 2H THR 1 1.630 27.274 3.147
3 3H THR 1 3H THR 1 2.228 28.397 2.099
4 HA THR 1 HA THR 1 -0.556 27.600 2.365
5 HB THR 1 HB THR 1 -0.641 29.838 1.859
6 HG1 THR 1 HG1 THR 1 -1.980 28.584 0.565
7 1HG2 THR 1 1HG2 THR 1 1.656 30.289 1.206
8 2HG2 THR 1 2HG2 THR 1 1.425 29.412 -0.327
9 3HG2 THR 1 3HG2 THR 1 0.512 30.901 -0.001
10 H LYS 2 H LYS 2 0.059 25.391 2.186
11 HA LYS 2 HA LYS 2 -0.068 24.471 -0.507
12 1HB LYS 2 1HB LYS 2 1.954 23.053 -0.490
13 2HB LYS 2 2HB LYS 2 2.329 24.776 -0.533
14 1HG LYS 2 1HG LYS 2 2.896 24.757 1.865
15 2HG LYS 2 2HG LYS 2 2.383 23.067 1.996
16 1HD LYS 2 1HD LYS 2 4.790 23.181 1.890
17 2HD LYS 2 2HD LYS 2 4.165 22.369 0.445
18 1HE LYS 2 1HE LYS 2 4.526 24.391 -0.902
19 2HE LYS 2 2HE LYS 2 4.970 25.316 0.547
20 1HZ LYS 2 1HZ LYS 2 6.867 24.606 -0.693
21 2HZ LYS 2 2HZ LYS 2 6.864 23.885 0.788
22 3HZ LYS 2 3HZ LYS 2 6.437 23.022 -0.551
23 H SER 3 H SER 3 -0.338 22.104 -0.560
24 HA SER 3 HA SER 3 -1.380 20.970 2.004
25 1HB SER 3 1HB SER 3 -3.163 19.932 0.659
26 2HB SER 3 2HB SER 3 -3.227 21.698 0.542
27 HG SER 3 HG SER 3 -2.176 21.539 -1.465
28 H THR 4 H THR 4 -1.634 18.518 1.758
29 HA THR 4 HA THR 4 0.134 17.239 -0.161
30 HB THR 4 HB THR 4 1.749 17.777 1.576
31 HG1 THR 4 HG1 THR 4 2.377 15.612 1.981
32 1HG2 THR 4 1HG2 THR 4 1.625 16.875 3.834
33 2HG2 THR 4 2HG2 THR 4 0.237 17.939 3.558
34 3HG2 THR 4 3HG2 THR 4 0.030 16.172 3.522
35 H THR 5 H THR 5 -0.550 15.263 -0.661
36 HA THR 5 HA THR 5 -2.127 13.547 1.008
37 HB THR 5 HB THR 5 -3.951 15.046 0.474
38 HG1 THR 5 HG1 THR 5 -4.014 12.710 -1.100
39 1HG2 THR 5 1HG2 THR 5 -4.701 15.465 -1.840
40 2HG2 THR 5 2HG2 THR 5 -3.128 16.205 -1.513
41 3HG2 THR 5 3HG2 THR 5 -3.226 14.714 -2.473
42 H THR 6 H THR 6 0.311 13.207 -0.049
43 HA THR 6 HA THR 6 0.297 12.305 -2.795
44 HB THR 6 HB THR 6 2.694 11.986 -2.370
45 HG1 THR 6 HG1 THR 6 2.590 11.295 -0.220
46 1HG2 THR 6 1HG2 THR 6 1.659 14.614 -1.221
47 2HG2 THR 6 2HG2 THR 6 3.275 14.305 -1.877
48 3HG2 THR 6 3HG2 THR 6 1.860 14.233 -2.945
49 H ALA 7 H ALA 7 1.569 10.279 -3.302
50 HA ALA 7 HA ALA 7 0.360 7.868 -2.444
51 1HB ALA 7 1HB ALA 7 1.628 8.056 -4.530
52 2HB ALA 7 2HB ALA 7 3.117 8.429 -3.637
53 3HB ALA 7 3HB ALA 7 2.382 6.824 -3.488
54 H CYS 8 H CYS 8 0.477 6.900 -0.475
55 HA CYS 8 HA CYS 8 2.987 7.014 1.075
56 1HB CYS 8 1HB CYS 8 1.815 7.647 3.105
57 2HB CYS 8 2HB CYS 8 1.938 8.900 1.911
58 H CYS 9 H CYS 9 2.899 5.739 2.991
59 HA CYS 9 HA CYS 9 1.350 3.285 3.078
60 1HB CYS 9 1HB CYS 9 2.548 3.045 0.892
61 2HB CYS 9 2HB CYS 9 4.079 3.321 1.732
62 H ASP 10 H ASP 10 1.965 2.080 4.902
63 HA ASP 10 HA ASP 10 3.906 3.428 6.722
64 1HB ASP 10 1HB ASP 10 1.632 3.371 7.518
65 2HB ASP 10 2HB ASP 10 1.507 1.632 7.230
66 HD2 ASP 10 HD2 ASP 10 2.852 0.808 10.293
67 H PHE 11 H PHE 11 2.645 0.057 6.232
68 HA PHE 11 HA PHE 11 5.312 -1.070 6.795
69 1HB PHE 11 1HB PHE 11 2.733 -2.415 5.996
70 2HB PHE 11 2HB PHE 11 4.194 -3.190 6.607
71 HD1 PHE 11 HD1 PHE 11 4.977 -1.913 9.012
72 HD2 PHE 11 HD2 PHE 11 0.981 -2.598 7.532
73 HE1 PHE 11 HE1 PHE 11 4.106 -1.895 11.325
74 HE2 PHE 11 HE2 PHE 11 0.117 -2.552 9.836
75 HZ PHE 11 HZ PHE 11 1.667 -2.166 11.750
76 H CYS 12 H CYS 12 6.673 -0.833 5.119
77 HA CYS 12 HA CYS 12 5.781 -1.494 2.350
78 1HB CYS 12 1HB CYS 12 7.361 0.154 1.563
79 2HB CYS 12 2HB CYS 12 6.101 0.873 2.558
80 HA PRO 13 HA PRO 13 9.408 -4.163 3.710
81 1HB PRO 13 1HB PRO 13 8.323 -6.653 3.516
82 2HB PRO 13 2HB PRO 13 8.093 -5.624 4.961
83 1HG PRO 13 1HG PRO 13 6.213 -5.912 2.593
84 2HG PRO 13 2HG PRO 13 5.815 -6.106 4.328
85 1HD PRO 13 1HD PRO 13 5.381 -3.757 3.052
86 2HD PRO 13 2HD PRO 13 6.028 -3.783 4.721
87 H CYS 14 H CYS 14 10.657 -5.573 2.313
88 HA CYS 14 HA CYS 14 9.741 -5.771 -0.496
89 1HB CYS 14 1HB CYS 14 12.558 -5.107 0.408
90 2HB CYS 14 2HB CYS 14 11.955 -5.128 -1.242
91 H THR 15 H THR 15 10.783 -7.406 -1.739
92 HA THR 15 HA THR 15 11.103 -9.874 -0.254
93 HB THR 15 HB THR 15 11.424 -10.843 -2.494
94 HG1 THR 15 HG1 THR 15 11.616 -9.608 -4.251
95 1HG2 THR 15 1HG2 THR 15 9.248 -10.380 -3.417
96 2HG2 THR 15 2HG2 THR 15 9.116 -10.375 -1.647
97 3HG2 THR 15 3HG2 THR 15 9.127 -8.841 -2.543
98 H ARG 16 H ARG 16 12.978 -11.318 -0.946
99 HA ARG 16 HA ARG 16 15.579 -9.886 -0.633
100 1HB ARG 16 1HB ARG 16 16.399 -11.967 0.246
101 2HB ARG 16 2HB ARG 16 15.010 -11.378 1.179
102 1HG ARG 16 1HG ARG 16 13.542 -13.021 0.055
103 2HG ARG 16 2HG ARG 16 14.905 -13.585 -0.933
104 1HD ARG 16 1HD ARG 16 16.103 -14.285 1.105
105 2HD ARG 16 2HD ARG 16 14.747 -13.713 2.105
106 HE ARG 16 HE ARG 16 13.692 -15.500 0.202
107 1HH1 ARG 16 1HH1 ARG 16 15.931 -15.621 2.952
108 2HH1 ARG 16 2HH1 ARG 16 15.541 -17.270 3.364
109 1HH2 ARG 16 1HH2 ARG 16 13.178 -17.659 0.753
110 2HH2 ARG 16 2HH2 ARG 16 13.963 -18.437 2.103
111 H SER 17 H SER 17 13.790 -10.823 -3.127
112 HA SER 17 HA SER 17 15.529 -12.591 -4.580
113 1HB SER 17 1HB SER 17 13.985 -11.991 -6.466
114 2HB SER 17 2HB SER 17 13.195 -12.613 -5.032
115 HG SER 17 HG SER 17 13.405 -9.916 -5.894
116 H ILE 18 H ILE 18 16.152 -11.935 -6.800
117 HA ILE 18 HA ILE 18 17.581 -9.334 -6.882
118 HB ILE 18 HB ILE 18 19.083 -10.985 -6.172
119 1HG1 ILE 18 1HG1 ILE 18 20.805 -10.962 -7.921
120 2HG1 ILE 18 2HG1 ILE 18 19.610 -10.513 -9.143
121 1HG2 ILE 18 1HG2 ILE 18 19.717 -13.001 -7.318
122 2HG2 ILE 18 2HG2 ILE 18 18.016 -13.078 -6.868
123 3HG2 ILE 18 3HG2 ILE 18 18.484 -12.770 -8.554
124 1HD1 ILE 18 1HD1 ILE 18 21.021 -8.616 -8.285
125 2HD1 ILE 18 2HD1 ILE 18 19.285 -8.338 -8.095
126 3HD1 ILE 18 3HD1 ILE 18 20.269 -8.819 -6.689
127 HA PRO 19 HA PRO 19 17.086 -7.503 -7.921
128 1HB PRO 19 1HB PRO 19 15.051 -5.993 -8.898
129 2HB PRO 19 2HB PRO 19 16.567 -6.295 -9.794
130 1HG PRO 19 1HG PRO 19 13.923 -7.752 -10.085
131 2HG PRO 19 2HG PRO 19 14.948 -7.065 -11.383
132 1HD PRO 19 1HD PRO 19 15.059 -9.703 -10.704
133 2HD PRO 19 2HD PRO 19 16.538 -8.811 -11.162
134 HA PRO 20 HA PRO 20 13.781 -8.112 -4.881
135 1HB PRO 20 1HB PRO 20 14.079 -5.979 -3.261
136 2HB PRO 20 2HB PRO 20 15.331 -7.249 -3.394
137 1HG PRO 20 1HG PRO 20 15.272 -4.567 -4.788
138 2HG PRO 20 2HG PRO 20 16.635 -5.313 -3.917
139 1HD PRO 20 1HD PRO 20 16.325 -5.467 -6.665
140 2HD PRO 20 2HD PRO 20 17.109 -6.754 -5.701
141 H GLN 21 H GLN 21 11.666 -7.514 -4.578
142 HA GLN 21 HA GLN 21 10.531 -5.184 -6.074
143 1HB GLN 21 1HB GLN 21 9.529 -7.997 -5.506
144 2HB GLN 21 2HB GLN 21 8.429 -6.658 -5.819
145 1HG GLN 21 1HG GLN 21 8.860 -7.906 -7.878
146 2HG GLN 21 2HG GLN 21 9.413 -6.232 -8.001
147 1HE2 GLN 21 1HE2 GLN 21 10.765 -9.398 -6.835
148 2HE2 GLN 21 2HE2 GLN 21 12.307 -9.200 -7.648
149 H CYS 22 H CYS 22 9.543 -3.705 -4.778
150 HA CYS 22 HA CYS 22 9.167 -4.323 -1.879
151 1HB CYS 22 1HB CYS 22 9.484 -1.726 -3.331
152 2HB CYS 22 2HB CYS 22 9.091 -1.868 -1.621
153 H GLN 23 H GLN 23 7.246 -3.886 -0.915
154 HA GLN 23 HA GLN 23 4.878 -3.316 -2.613
155 1HB GLN 23 1HB GLN 23 5.261 -5.831 -0.922
156 2HB GLN 23 2HB GLN 23 3.783 -5.366 -1.784
157 1HG GLN 23 1HG GLN 23 4.977 -5.529 -3.943
158 2HG GLN 23 2HG GLN 23 6.452 -6.046 -3.109
159 1HE2 GLN 23 1HE2 GLN 23 6.414 -8.062 -1.856
160 2HE2 GLN 23 2HE2 GLN 23 5.327 -9.342 -2.356
161 H CYS 24 H CYS 24 2.959 -2.976 -1.311
162 HA CYS 24 HA CYS 24 3.591 -1.924 1.413
163 1HB CYS 24 1HB CYS 24 1.625 -1.119 -0.710
164 2HB CYS 24 2HB CYS 24 1.358 -0.707 0.986
165 H THR 25 H THR 25 2.906 -3.075 3.030
166 HA THR 25 HA THR 25 0.544 -4.889 2.736
167 HB THR 25 HB THR 25 1.477 -6.136 4.594
168 HG1 THR 25 HG1 THR 25 2.580 -4.556 5.690
169 1HG2 THR 25 1HG2 THR 25 2.202 -6.709 2.276
170 2HG2 THR 25 2HG2 THR 25 3.625 -5.662 2.478
171 3HG2 THR 25 3HG2 THR 25 3.432 -7.096 3.504
172 H ASP 26 H ASP 26 0.738 -1.868 3.281
173 HA ASP 26 HA ASP 26 -0.395 -1.619 5.939
174 1HB ASP 26 1HB ASP 26 0.832 0.231 4.988
175 2HB ASP 26 2HB ASP 26 -0.289 0.309 3.607
176 HD2 ASP 26 HD2 ASP 26 -1.763 1.403 7.248
177 H VAL 27 H VAL 27 -2.503 -1.115 6.335
178 HA VAL 27 HA VAL 27 -4.595 -1.823 4.363
179 HB VAL 27 HB VAL 27 -4.208 -3.259 7.031
180 1HG1 VAL 27 1HG1 VAL 27 -6.561 -3.034 6.653
181 2HG1 VAL 27 2HG1 VAL 27 -6.400 -3.349 4.919
182 3HG1 VAL 27 3HG1 VAL 27 -6.146 -4.661 6.085
183 1HG2 VAL 27 1HG2 VAL 27 -3.853 -4.225 4.165
184 2HG2 VAL 27 2HG2 VAL 27 -2.634 -4.186 5.452
185 3HG2 VAL 27 3HG2 VAL 27 -3.987 -5.308 5.567
186 H ARG 28 H ARG 28 -6.319 -0.482 4.615
187 HA ARG 28 HA ARG 28 -7.098 0.705 7.111
188 1HB ARG 28 1HB ARG 28 -4.832 1.913 5.987
189 2HB ARG 28 2HB ARG 28 -6.135 2.918 5.384
190 1HG ARG 28 1HG ARG 28 -6.969 3.171 7.745
191 2HG ARG 28 2HG ARG 28 -5.681 2.091 8.306
192 1HD ARG 28 1HD ARG 28 -5.014 4.418 8.690
193 2HD ARG 28 2HD ARG 28 -3.963 3.664 7.496
194 HE ARG 28 HE ARG 28 -4.712 5.087 5.878
195 1HH1 ARG 28 1HH1 ARG 28 -6.833 5.431 8.712
196 2HH1 ARG 28 2HH1 ARG 28 -7.801 6.686 7.982
197 1HH2 ARG 28 1HH2 ARG 28 -5.996 6.707 4.949
198 2HH2 ARG 28 2HH2 ARG 28 -7.332 7.407 5.834
199 H GLU 29 H GLU 29 -8.218 3.127 5.860
200 HA GLU 29 HA GLU 29 -10.664 2.102 4.974
201 1HB GLU 29 1HB GLU 29 -10.399 4.264 6.002
202 2HB GLU 29 2HB GLU 29 -9.356 4.841 4.709
203 1HG GLU 29 1HG GLU 29 -11.676 5.705 4.609
204 2HG GLU 29 2HG GLU 29 -11.190 4.865 3.134
205 HE2 GLU 29 HE2 GLU 29 -13.889 3.034 5.582
206 H LYS 30 H LYS 30 -8.810 4.248 2.830
207 HA LYS 30 HA LYS 30 -9.218 2.387 0.561
208 1HB LYS 30 1HB LYS 30 -9.188 4.414 -0.791
209 2HB LYS 30 2HB LYS 30 -10.512 4.378 0.368
210 1HG LYS 30 1HG LYS 30 -9.432 6.054 1.757
211 2HG LYS 30 2HG LYS 30 -7.899 5.858 0.892
212 1HD LYS 30 1HD LYS 30 -8.889 7.906 0.188
213 2HD LYS 30 2HD LYS 30 -8.911 6.769 -1.168
214 1HE LYS 30 1HE LYS 30 -11.315 6.327 -0.779
215 2HE LYS 30 2HE LYS 30 -11.288 7.368 0.658
216 1HZ LYS 30 1HZ LYS 30 -10.732 9.204 -0.761
217 2HZ LYS 30 2HZ LYS 30 -10.764 8.239 -2.096
218 3HZ LYS 30 3HZ LYS 30 -12.146 8.508 -1.239
219 H CYS 31 H CYS 31 -7.713 2.799 -1.209
220 HA CYS 31 HA CYS 31 -4.913 2.745 -0.323
221 1HB CYS 31 1HB CYS 31 -4.655 1.832 -2.706
222 2HB CYS 31 2HB CYS 31 -5.343 0.826 -1.432
223 H HIS 32 H HIS 32 -3.296 3.710 -1.722
224 HA HIS 32 HA HIS 32 -4.045 6.488 -2.129
225 1HB HIS 32 1HB HIS 32 -1.688 6.954 -2.098
226 2HB HIS 32 2HB HIS 32 -2.193 6.032 -0.728
227 HD1 HIS 32 HD1 HIS 32 0.173 5.993 -3.615
228 HD2 HIS 32 HD2 HIS 32 -1.239 3.378 -0.645
229 HE1 HIS 32 HE1 HIS 32 1.793 4.034 -3.517
230 HE2 HIS 32 HE2 HIS 32 0.974 2.434 -1.684
231 H SER 33 H SER 33 -2.754 7.713 -3.713
232 HA SER 33 HA SER 33 -3.811 7.430 -6.250
233 1HB SER 33 1HB SER 33 -3.000 9.537 -5.414
234 2HB SER 33 2HB SER 33 -1.341 8.907 -5.356
235 HG SER 33 HG SER 33 -2.908 9.179 -7.704
236 H ALA 34 H ALA 34 -0.738 6.213 -5.073
237 HA ALA 34 HA ALA 34 -0.016 5.175 -7.797
238 1HB ALA 34 1HB ALA 34 2.272 5.275 -7.121
239 2HB ALA 34 2HB ALA 34 1.531 6.853 -6.801
240 3HB ALA 34 3HB ALA 34 1.830 5.722 -5.459
241 H CYS 35 H CYS 35 -1.916 3.787 -6.263
242 HA CYS 35 HA CYS 35 -0.433 1.259 -5.741
243 1HB CYS 35 1HB CYS 35 -1.295 2.162 -3.671
244 2HB CYS 35 2HB CYS 35 -2.912 2.323 -4.358
245 H LYS 36 H LYS 36 -0.851 -0.153 -7.319
246 HA LYS 36 HA LYS 36 -2.943 0.456 -9.288
247 1HB LYS 36 1HB LYS 36 -0.481 -1.349 -9.291
248 2HB LYS 36 2HB LYS 36 -1.562 -1.078 -10.656
249 1HG LYS 36 1HG LYS 36 -0.984 1.356 -10.612
250 2HG LYS 36 2HG LYS 36 0.146 1.043 -9.276
251 1HD LYS 36 1HD LYS 36 1.394 -0.560 -10.733
252 2HD LYS 36 2HD LYS 36 0.286 -0.182 -12.068
253 1HE LYS 36 1HE LYS 36 0.996 2.211 -11.955
254 2HE LYS 36 2HE LYS 36 2.126 1.801 -10.649
255 1HZ LYS 36 1HZ LYS 36 3.209 1.891 -12.756
256 2HZ LYS 36 2HZ LYS 36 3.260 0.352 -12.175
257 3HZ LYS 36 3HZ LYS 36 2.215 0.743 -13.388
258 H SER 37 H SER 37 -1.708 -2.213 -7.316
259 HA SER 37 HA SER 37 -4.200 -3.801 -7.820
260 1HB SER 37 1HB SER 37 -2.121 -5.031 -8.239
261 2HB SER 37 2HB SER 37 -1.564 -4.666 -6.595
262 HG SER 37 HG SER 37 -3.885 -6.129 -7.331
263 H CYS 38 H CYS 38 -5.661 -3.495 -6.356
264 HA CYS 38 HA CYS 38 -5.072 -3.006 -3.510
265 1HB CYS 38 1HB CYS 38 -5.198 -0.796 -4.514
266 2HB CYS 38 2HB CYS 38 -6.709 -1.203 -5.331
267 H LEU 39 H LEU 39 -6.557 -4.034 -2.248
268 HA LEU 39 HA LEU 39 -9.075 -5.025 -3.394
269 1HB LEU 39 1HB LEU 39 -7.228 -6.564 -4.181
270 2HB LEU 39 2HB LEU 39 -6.980 -7.054 -2.503
271 HG LEU 39 HG LEU 39 -9.789 -7.204 -3.607
272 1HD1 LEU 39 1HD1 LEU 39 -9.330 -9.374 -4.694
273 2HD1 LEU 39 2HD1 LEU 39 -8.485 -8.044 -5.500
274 3HD1 LEU 39 3HD1 LEU 39 -7.590 -9.141 -4.425
275 1HD2 LEU 39 1HD2 LEU 39 -8.122 -9.158 -1.953
276 2HD2 LEU 39 2HD2 LEU 39 -9.255 -7.969 -1.280
277 3HD2 LEU 39 3HD2 LEU 39 -9.857 -9.281 -2.297
278 H CYS 40 H CYS 40 -10.540 -5.618 -1.888
279 HA CYS 40 HA CYS 40 -9.831 -4.981 0.932
280 1HB CYS 40 1HB CYS 40 -12.554 -4.478 -0.242
281 2HB CYS 40 2HB CYS 40 -11.776 -3.663 1.104
282 H THR 41 H THR 41 -11.323 -5.792 2.623
283 HA THR 41 HA THR 41 -11.744 -8.637 2.067
284 HB THR 41 HB THR 41 -10.726 -7.846 4.171
285 HG1 THR 41 HG1 THR 41 -11.901 -9.341 5.396
286 1HG2 THR 41 1HG2 THR 41 -12.259 -5.897 4.583
287 2HG2 THR 41 2HG2 THR 41 -13.561 -7.039 4.973
288 3HG2 THR 41 3HG2 THR 41 -12.096 -6.998 5.968
289 H ARG 42 H ARG 42 -13.725 -9.733 2.280
290 HA ARG 42 HA ARG 42 -16.036 -8.188 1.288
291 1HB ARG 42 1HB ARG 42 -16.851 -10.378 0.584
292 2HB ARG 42 2HB ARG 42 -15.261 -10.003 -0.089
293 1HG ARG 42 1HG ARG 42 -14.173 -11.482 1.515
294 2HG ARG 42 2HG ARG 42 -15.720 -11.798 2.325
295 1HD ARG 42 1HD ARG 42 -16.602 -12.766 0.209
296 2HD ARG 42 2HD ARG 42 -15.022 -12.546 -0.550
297 HE ARG 42 HE ARG 42 -15.869 -14.601 1.318
298 1HH1 ARG 42 1HH1 ARG 42 -12.995 -12.847 0.178
299 2HH1 ARG 42 2HH1 ARG 42 -11.885 -14.093 0.686
300 1HH2 ARG 42 1HH2 ARG 42 -14.400 -16.217 1.979
301 2HH2 ARG 42 2HH2 ARG 42 -12.688 -16.015 1.714
302 H SER 43 H SER 43 -15.513 -7.751 4.030
303 HA SER 43 HA SER 43 -17.914 -8.714 5.267
304 1HB SER 43 1HB SER 43 -16.342 -10.707 5.442
305 2HB SER 43 2HB SER 43 -15.255 -9.703 6.409
306 HG SER 43 HG SER 43 -17.960 -10.397 6.987
307 H PHE 44 H PHE 44 -17.011 -8.430 7.902
308 HA PHE 44 HA PHE 44 -16.715 -5.511 8.102
309 1HB PHE 44 1HB PHE 44 -17.673 -6.153 10.438
310 2HB PHE 44 2HB PHE 44 -18.718 -5.983 9.034
311 HD1 PHE 44 HD1 PHE 44 -19.896 -7.882 8.087
312 HD2 PHE 44 HD2 PHE 44 -17.197 -8.408 11.412
313 HE1 PHE 44 HE1 PHE 44 -20.807 -10.154 8.473
314 HE2 PHE 44 HE2 PHE 44 -18.094 -10.688 11.771
315 HZ PHE 44 HZ PHE 44 -19.905 -11.563 10.311
316 HA PRO 45 HA PRO 45 -15.741 -3.940 9.279
317 1HB PRO 45 1HB PRO 45 -13.397 -2.585 9.342
318 2HB PRO 45 2HB PRO 45 -14.226 -3.145 10.823
319 1HG PRO 45 1HG PRO 45 -11.949 -4.509 9.361
320 2HG PRO 45 2HG PRO 45 -12.070 -4.153 11.108
321 1HD PRO 45 1HD PRO 45 -12.742 -6.597 10.063
322 2HD PRO 45 2HD PRO 45 -13.634 -5.899 11.446
323 HA PRO 46 HA PRO 46 -14.594 -4.340 4.885
324 1HB PRO 46 1HB PRO 46 -15.760 -2.154 3.824
325 2HB PRO 46 2HB PRO 46 -16.713 -3.486 4.536
326 1HG PRO 46 1HG PRO 46 -15.958 -0.866 5.872
327 2HG PRO 46 2HG PRO 46 -17.571 -1.626 5.781
328 1HD PRO 46 1HD PRO 46 -15.890 -1.933 7.943
329 2HD PRO 46 2HD PRO 46 -17.011 -3.221 7.405
330 H GLN 47 H GLN 47 -12.335 -4.146 5.442
331 HA GLN 47 HA GLN 47 -11.087 -1.458 5.250
332 1HB GLN 47 1HB GLN 47 -9.166 -2.595 6.256
333 2HB GLN 47 2HB GLN 47 -10.596 -2.606 7.304
334 1HG GLN 47 1HG GLN 47 -10.982 -4.957 6.856
335 2HG GLN 47 2HG GLN 47 -9.768 -4.983 5.573
336 1HE2 GLN 47 1HE2 GLN 47 -9.582 -3.577 8.905
337 2HE2 GLN 47 2HE2 GLN 47 -8.227 -4.574 9.390
338 H CYS 48 H CYS 48 -9.442 -1.136 3.753
339 HA CYS 48 HA CYS 48 -9.147 -3.244 1.704
340 1HB CYS 48 1HB CYS 48 -10.397 -1.012 1.149
341 2HB CYS 48 2HB CYS 48 -8.742 -0.400 0.951
342 H ARG 49 H ARG 49 -7.307 -3.506 0.651
343 HA ARG 49 HA ARG 49 -4.822 -2.772 2.157
344 1HB ARG 49 1HB ARG 49 -5.199 -5.282 0.551
345 2HB ARG 49 2HB ARG 49 -3.994 -4.922 1.795
346 1HG ARG 49 1HG ARG 49 -5.952 -4.936 3.461
347 2HG ARG 49 2HG ARG 49 -6.960 -5.549 2.150
348 1HD ARG 49 1HD ARG 49 -4.507 -6.803 3.419
349 2HD ARG 49 2HD ARG 49 -6.152 -7.449 3.422
350 HE ARG 49 HE ARG 49 -4.086 -7.794 1.443
351 1HH1 ARG 49 1HH1 ARG 49 -7.618 -7.473 1.656
352 2HH1 ARG 49 2HH1 ARG 49 -7.902 -8.325 0.161
353 1HH2 ARG 49 1HH2 ARG 49 -4.472 -8.853 -0.524
354 2HH2 ARG 49 2HH2 ARG 49 -6.100 -9.100 -1.096
355 H CYS 50 H CYS 50 -2.898 -2.604 0.829
356 HA CYS 50 HA CYS 50 -3.307 -2.301 -2.104
357 1HB CYS 50 1HB CYS 50 -1.392 -1.123 -0.088
358 2HB CYS 50 2HB CYS 50 -0.802 -1.448 -1.709
359 H TYR 51 H TYR 51 -1.712 -3.276 -3.445
360 HA TYR 51 HA TYR 51 0.108 -5.252 -2.331
361 1HB TYR 51 1HB TYR 51 -2.388 -6.175 -2.800
362 2HB TYR 51 2HB TYR 51 -1.803 -6.291 -4.440
363 HD1 TYR 51 HD1 TYR 51 1.191 -7.102 -3.183
364 HD2 TYR 51 HD2 TYR 51 -2.872 -8.547 -2.905
365 HE1 TYR 51 HE1 TYR 51 2.019 -9.316 -2.497
366 HE2 TYR 51 HE2 TYR 51 -2.021 -10.787 -2.278
367 HH TYR 51 HH TYR 51 1.472 -11.474 -1.924
368 H ASP 52 H ASP 52 0.215 -2.698 -3.843
369 HA ASP 52 HA ASP 52 0.742 -3.261 -6.614
370 1HB ASP 52 1HB ASP 52 1.313 -0.939 -6.764
371 2HB ASP 52 2HB ASP 52 -0.112 -1.112 -5.723
372 HD2 ASP 52 HD2 ASP 52 1.736 -0.271 -2.765
373 H ILE 53 H ILE 53 2.801 -3.056 -7.697
374 HA ILE 53 HA ILE 53 5.057 -4.097 -6.051
375 HB ILE 53 HB ILE 53 4.726 -4.246 -9.061
376 1HG1 ILE 53 1HG1 ILE 53 2.837 -5.459 -8.189
377 2HG1 ILE 53 2HG1 ILE 53 4.044 -6.581 -8.804
378 1HG2 ILE 53 1HG2 ILE 53 6.558 -5.652 -7.067
379 2HG2 ILE 53 2HG2 ILE 53 6.402 -6.111 -8.773
380 3HG2 ILE 53 3HG2 ILE 53 7.022 -4.516 -8.338
381 1HD1 ILE 53 1HD1 ILE 53 4.819 -7.011 -6.460
382 2HD1 ILE 53 2HD1 ILE 53 3.538 -5.928 -5.869
383 3HD1 ILE 53 3HD1 ILE 53 3.113 -7.417 -6.721
384 H THR 54 H THR 54 6.882 -2.978 -5.903
385 HA THR 54 HA THR 54 7.567 -0.800 -7.761
386 HB THR 54 HB THR 54 7.924 0.778 -5.911
387 HG1 THR 54 HG1 THR 54 6.913 -1.326 -4.299
388 1HG2 THR 54 1HG2 THR 54 5.633 0.705 -6.934
389 2HG2 THR 54 2HG2 THR 54 5.119 -0.322 -5.569
390 3HG2 THR 54 3HG2 THR 54 5.706 1.322 -5.273
391 H ASP 55 H ASP 55 9.775 0.120 -6.375
392 HA ASP 55 HA ASP 55 11.360 -2.244 -5.527
393 1HB ASP 55 1HB ASP 55 11.650 -1.364 -7.996
394 2HB ASP 55 2HB ASP 55 12.566 -0.056 -7.242
395 HD2 ASP 55 HD2 ASP 55 14.488 -3.247 -6.031
396 H PHE 56 H PHE 56 9.941 0.252 -4.376
397 HA PHE 56 HA PHE 56 12.020 1.089 -2.475
398 1HB PHE 56 1HB PHE 56 11.409 3.509 -3.059
399 2HB PHE 56 2HB PHE 56 12.437 2.648 -4.180
400 HD1 PHE 56 HD1 PHE 56 11.747 2.307 -6.482
401 HD2 PHE 56 HD2 PHE 56 8.942 3.822 -3.573
402 HE1 PHE 56 HE1 PHE 56 10.096 2.720 -8.284
403 HE2 PHE 56 HE2 PHE 56 7.311 4.248 -5.382
404 HZ PHE 56 HZ PHE 56 7.871 3.689 -7.736
405 H CYS 57 H CYS 57 10.923 2.907 -1.096
406 HA CYS 57 HA CYS 57 8.222 1.935 -0.229
407 1HB CYS 57 1HB CYS 57 9.995 1.481 1.383
408 2HB CYS 57 2HB CYS 57 10.478 3.184 1.361
409 H TYR 58 H TYR 58 6.694 3.459 0.333
410 HA TYR 58 HA TYR 58 7.057 6.248 -0.618
411 1HB TYR 58 1HB TYR 58 4.639 4.502 -0.010
412 2HB TYR 58 2HB TYR 58 4.529 6.214 -0.322
413 HD1 TYR 58 HD1 TYR 58 5.661 7.065 -2.569
414 HD2 TYR 58 HD2 TYR 58 4.363 3.018 -1.833
415 HE1 TYR 58 HE1 TYR 58 5.373 6.713 -5.003
416 HE2 TYR 58 HE2 TYR 58 4.054 2.678 -4.266
417 HH TYR 58 HH TYR 58 4.740 5.247 -6.663
418 HA PRO 59 HA PRO 59 7.378 7.568 3.571
419 1HB PRO 59 1HB PRO 59 6.096 10.006 3.635
420 2HB PRO 59 2HB PRO 59 7.638 9.719 2.780
421 1HG PRO 59 1HG PRO 59 4.845 9.649 1.597
422 2HG PRO 59 2HG PRO 59 6.257 10.575 1.004
423 1HD PRO 59 1HD PRO 59 5.645 8.190 -0.079
424 2HD PRO 59 2HD PRO 59 7.352 8.571 0.273
425 H SER 60 H SER 60 6.128 8.093 5.625
426 HA SER 60 HA SER 60 4.145 6.212 6.023
427 1HB SER 60 1HB SER 60 3.799 7.722 8.167
428 2HB SER 60 2HB SER 60 5.198 6.676 7.922
429 HG SER 60 HG SER 60 5.728 8.844 8.578
430 H CYS 61 H CYS 61 2.035 6.193 6.218
431 HA CYS 61 HA CYS 61 0.546 8.363 4.855
432 1HB CYS 61 1HB CYS 61 0.616 5.606 4.501
433 2HB CYS 61 2HB CYS 61 -0.823 5.785 5.460
434 H SER 62 H SER 62 -1.932 8.123 5.458
435 HA SER 62 HA SER 62 -2.179 9.228 8.164
436 1HB SER 62 1HB SER 62 -4.478 9.732 7.386
437 2HB SER 62 2HB SER 62 -3.233 10.346 6.284
438 HG SER 62 HG SER 62 -4.812 9.327 5.086
Start of MODEL 14
1 1H THR 1 1H THR 1 -3.849 24.744 -6.372
2 2H THR 1 2H THR 1 -4.589 23.295 -6.673
3 3H THR 1 3H THR 1 -4.183 23.710 -5.130
4 HA THR 1 HA THR 1 -2.272 23.219 -7.280
5 HB THR 1 HB THR 1 -0.625 23.235 -5.397
6 HG1 THR 1 HG1 THR 1 -1.325 24.253 -3.477
7 1HG2 THR 1 1HG2 THR 1 -0.444 25.665 -5.230
8 2HG2 THR 1 2HG2 THR 1 -0.879 25.199 -6.884
9 3HG2 THR 1 3HG2 THR 1 -2.111 25.871 -5.793
10 H LYS 2 H LYS 2 -0.995 21.274 -6.985
11 HA LYS 2 HA LYS 2 -2.534 18.962 -6.031
12 1HB LYS 2 1HB LYS 2 -1.284 18.986 -8.196
13 2HB LYS 2 2HB LYS 2 0.211 19.246 -7.305
14 1HG LYS 2 1HG LYS 2 0.453 17.033 -7.396
15 2HG LYS 2 2HG LYS 2 -0.717 16.932 -6.083
16 1HD LYS 2 1HD LYS 2 -1.356 16.768 -9.066
17 2HD LYS 2 2HD LYS 2 -1.162 15.390 -7.972
18 1HE LYS 2 1HE LYS 2 -3.070 16.215 -6.592
19 2HE LYS 2 2HE LYS 2 -3.319 17.536 -7.754
20 1HZ LYS 2 1HZ LYS 2 -4.755 15.696 -8.188
21 2HZ LYS 2 2HZ LYS 2 -3.706 15.900 -9.442
22 3HZ LYS 2 3HZ LYS 2 -3.478 14.671 -8.368
23 H SER 3 H SER 3 -2.419 20.211 -3.844
24 HA SER 3 HA SER 3 -0.054 19.288 -2.256
25 1HB SER 3 1HB SER 3 -1.446 21.994 -2.074
26 2HB SER 3 2HB SER 3 -0.101 21.416 -1.068
27 HG SER 3 HG SER 3 0.688 22.681 -2.746
28 H THR 4 H THR 4 -1.898 17.537 -2.214
29 HA THR 4 HA THR 4 -3.053 17.722 0.432
30 HB THR 4 HB THR 4 -4.821 18.804 -0.971
31 HG1 THR 4 HG1 THR 4 -5.442 17.689 0.838
32 1HG2 THR 4 1HG2 THR 4 -4.423 17.553 -3.103
33 2HG2 THR 4 2HG2 THR 4 -5.077 16.088 -2.339
34 3HG2 THR 4 3HG2 THR 4 -6.111 17.506 -2.569
35 H THR 5 H THR 5 -3.905 15.669 1.085
36 HA THR 5 HA THR 5 -2.637 13.679 1.594
37 HB THR 5 HB THR 5 -4.969 13.562 1.856
38 HG1 THR 5 HG1 THR 5 -3.835 11.618 2.018
39 1HG2 THR 5 1HG2 THR 5 -5.773 14.310 -0.363
40 2HG2 THR 5 2HG2 THR 5 -5.305 12.747 -1.062
41 3HG2 THR 5 3HG2 THR 5 -6.555 12.823 0.185
42 H THR 6 H THR 6 -0.658 13.773 0.410
43 HA THR 6 HA THR 6 -0.408 12.756 -2.255
44 HB THR 6 HB THR 6 2.006 12.754 -1.679
45 HG1 THR 6 HG1 THR 6 1.697 12.262 0.567
46 1HG2 THR 6 1HG2 THR 6 0.910 14.818 -2.510
47 2HG2 THR 6 2HG2 THR 6 0.545 15.300 -0.839
48 3HG2 THR 6 3HG2 THR 6 2.229 15.175 -1.380
49 H ALA 7 H ALA 7 0.699 10.787 -2.881
50 HA ALA 7 HA ALA 7 -0.354 8.465 -1.665
51 1HB ALA 7 1HB ALA 7 1.153 7.255 -3.212
52 2HB ALA 7 2HB ALA 7 0.281 8.563 -4.041
53 3HB ALA 7 3HB ALA 7 1.988 8.776 -3.595
54 H CYS 8 H CYS 8 0.238 7.391 0.119
55 HA CYS 8 HA CYS 8 3.063 7.280 0.957
56 1HB CYS 8 1HB CYS 8 2.483 8.083 3.227
57 2HB CYS 8 2HB CYS 8 2.427 9.300 1.984
58 H CYS 9 H CYS 9 3.209 6.138 3.047
59 HA CYS 9 HA CYS 9 1.438 3.945 3.674
60 1HB CYS 9 1HB CYS 9 2.191 3.128 1.494
61 2HB CYS 9 2HB CYS 9 3.869 3.472 1.924
62 H ASP 10 H ASP 10 2.299 2.756 5.501
63 HA ASP 10 HA ASP 10 4.533 4.130 6.887
64 1HB ASP 10 1HB ASP 10 2.308 2.331 7.934
65 2HB ASP 10 2HB ASP 10 3.508 3.201 8.877
66 HD2 ASP 10 HD2 ASP 10 1.645 6.097 8.957
67 H PHE 11 H PHE 11 3.123 0.752 6.791
68 HA PHE 11 HA PHE 11 5.849 -0.353 7.046
69 1HB PHE 11 1HB PHE 11 3.157 -1.700 7.110
70 2HB PHE 11 2HB PHE 11 4.713 -2.433 7.488
71 HD1 PHE 11 HD1 PHE 11 6.086 -0.649 9.288
72 HD2 PHE 11 HD2 PHE 11 1.877 -1.602 9.101
73 HE1 PHE 11 HE1 PHE 11 5.825 0.012 11.654
74 HE2 PHE 11 HE2 PHE 11 1.631 -0.933 11.471
75 HZ PHE 11 HZ PHE 11 3.602 -0.131 12.755
76 H CYS 12 H CYS 12 6.835 -0.378 5.225
77 HA CYS 12 HA CYS 12 5.572 -1.285 2.681
78 1HB CYS 12 1HB CYS 12 7.196 0.197 1.600
79 2HB CYS 12 2HB CYS 12 6.060 1.053 2.634
80 HA PRO 13 HA PRO 13 9.156 -4.058 3.990
81 1HB PRO 13 1HB PRO 13 7.965 -6.524 3.785
82 2HB PRO 13 2HB PRO 13 7.845 -5.491 5.238
83 1HG PRO 13 1HG PRO 13 5.858 -5.671 2.948
84 2HG PRO 13 2HG PRO 13 5.524 -5.844 4.700
85 1HD PRO 13 1HD PRO 13 5.147 -3.481 3.469
86 2HD PRO 13 2HD PRO 13 5.932 -3.523 5.078
87 H CYS 14 H CYS 14 10.414 -5.470 2.679
88 HA CYS 14 HA CYS 14 9.612 -5.737 -0.157
89 1HB CYS 14 1HB CYS 14 12.332 -4.888 0.896
90 2HB CYS 14 2HB CYS 14 11.920 -5.154 -0.791
91 H THR 15 H THR 15 10.812 -7.343 -1.289
92 HA THR 15 HA THR 15 11.163 -9.785 0.307
93 HB THR 15 HB THR 15 11.098 -10.861 -1.919
94 HG1 THR 15 HG1 THR 15 10.885 -8.191 -2.836
95 1HG2 THR 15 1HG2 THR 15 8.812 -10.334 -2.529
96 2HG2 THR 15 2HG2 THR 15 8.948 -10.329 -0.763
97 3HG2 THR 15 3HG2 THR 15 8.867 -8.796 -1.647
98 H ARG 16 H ARG 16 12.892 -11.296 -0.563
99 HA ARG 16 HA ARG 16 15.522 -9.898 -0.722
100 1HB ARG 16 1HB ARG 16 16.446 -11.863 0.296
101 2HB ARG 16 2HB ARG 16 15.118 -11.257 1.302
102 1HG ARG 16 1HG ARG 16 13.620 -13.006 0.299
103 2HG ARG 16 2HG ARG 16 14.996 -13.620 -0.637
104 1HD ARG 16 1HD ARG 16 16.226 -14.043 1.487
105 2HD ARG 16 2HD ARG 16 14.799 -13.554 2.406
106 HE ARG 16 HE ARG 16 15.292 -16.054 1.002
107 1HH1 ARG 16 1HH1 ARG 16 12.702 -13.943 2.210
108 2HH1 ARG 16 2HH1 ARG 16 11.473 -15.175 2.090
109 1HH2 ARG 16 1HH2 ARG 16 13.663 -17.649 0.828
110 2HH2 ARG 16 2HH2 ARG 16 12.025 -17.291 1.308
111 H SER 17 H SER 17 13.354 -11.375 -2.731
112 HA SER 17 HA SER 17 15.013 -13.143 -4.274
113 1HB SER 17 1HB SER 17 12.989 -12.869 -5.854
114 2HB SER 17 2HB SER 17 12.681 -13.517 -4.249
115 HG SER 17 HG SER 17 11.212 -11.840 -4.834
116 H ILE 18 H ILE 18 14.872 -12.637 -6.755
117 HA ILE 18 HA ILE 18 16.108 -9.980 -7.279
118 HB ILE 18 HB ILE 18 17.057 -12.677 -8.227
119 1HG1 ILE 18 1HG1 ILE 18 17.752 -12.220 -5.918
120 2HG1 ILE 18 2HG1 ILE 18 19.107 -12.223 -7.038
121 1HG2 ILE 18 1HG2 ILE 18 17.339 -11.153 -10.057
122 2HG2 ILE 18 2HG2 ILE 18 17.968 -9.881 -8.998
123 3HG2 ILE 18 3HG2 ILE 18 18.918 -11.354 -9.291
124 1HD1 ILE 18 1HD1 ILE 18 19.132 -9.732 -7.037
125 2HD1 ILE 18 2HD1 ILE 18 17.790 -9.728 -5.874
126 3HD1 ILE 18 3HD1 ILE 18 19.347 -10.421 -5.421
127 HA PRO 19 HA PRO 19 15.770 -8.317 -8.535
128 1HB PRO 19 1HB PRO 19 13.789 -6.575 -9.268
129 2HB PRO 19 2HB PRO 19 15.008 -7.215 -10.405
130 1HG PRO 19 1HG PRO 19 12.189 -8.232 -9.959
131 2HG PRO 19 2HG PRO 19 12.998 -7.872 -11.513
132 1HD PRO 19 1HD PRO 19 12.869 -10.406 -10.505
133 2HD PRO 19 2HD PRO 19 14.320 -9.836 -11.377
134 HA PRO 20 HA PRO 20 13.342 -8.481 -4.726
135 1HB PRO 20 1HB PRO 20 14.252 -6.295 -3.383
136 2HB PRO 20 2HB PRO 20 15.266 -7.735 -3.674
137 1HG PRO 20 1HG PRO 20 15.231 -5.156 -5.261
138 2HG PRO 20 2HG PRO 20 16.649 -6.044 -4.638
139 1HD PRO 20 1HD PRO 20 15.756 -6.306 -7.217
140 2HD PRO 20 2HD PRO 20 16.476 -7.680 -6.326
141 H GLN 21 H GLN 21 11.217 -7.973 -4.550
142 HA GLN 21 HA GLN 21 10.206 -5.451 -5.738
143 1HB GLN 21 1HB GLN 21 8.086 -6.570 -5.743
144 2HB GLN 21 2HB GLN 21 9.244 -7.407 -6.767
145 1HG GLN 21 1HG GLN 21 8.907 -8.419 -3.957
146 2HG GLN 21 2HG GLN 21 7.501 -8.540 -4.991
147 1HE2 GLN 21 1HE2 GLN 21 10.892 -8.931 -6.209
148 2HE2 GLN 21 2HE2 GLN 21 10.678 -10.614 -6.595
149 H CYS 22 H CYS 22 8.681 -4.237 -4.570
150 HA CYS 22 HA CYS 22 8.620 -4.602 -1.615
151 1HB CYS 22 1HB CYS 22 8.992 -2.062 -3.203
152 2HB CYS 22 2HB CYS 22 8.718 -2.125 -1.465
153 H GLN 23 H GLN 23 6.805 -3.993 -0.591
154 HA GLN 23 HA GLN 23 4.385 -3.195 -2.089
155 1HB GLN 23 1HB GLN 23 4.814 -5.684 -2.265
156 2HB GLN 23 2HB GLN 23 4.727 -5.792 -0.500
157 1HG GLN 23 1HG GLN 23 2.384 -4.970 -0.586
158 2HG GLN 23 2HG GLN 23 2.522 -4.824 -2.350
159 1HE2 GLN 23 1HE2 GLN 23 3.605 -7.117 -3.236
160 2HE2 GLN 23 2HE2 GLN 23 2.738 -8.533 -2.681
161 H CYS 24 H CYS 24 2.569 -2.836 -0.477
162 HA CYS 24 HA CYS 24 3.556 -2.152 2.267
163 1HB CYS 24 1HB CYS 24 1.325 -0.974 0.634
164 2HB CYS 24 2HB CYS 24 1.526 -0.706 2.359
165 H THR 25 H THR 25 2.517 -2.867 4.002
166 HA THR 25 HA THR 25 0.770 -5.249 3.479
167 HB THR 25 HB THR 25 2.955 -5.755 4.359
168 HG1 THR 25 HG1 THR 25 1.065 -6.929 5.013
169 1HG2 THR 25 1HG2 THR 25 3.484 -3.711 5.563
170 2HG2 THR 25 2HG2 THR 25 2.138 -3.978 6.695
171 3HG2 THR 25 3HG2 THR 25 3.534 -5.084 6.676
172 H ASP 26 H ASP 26 0.656 -2.051 4.756
173 HA ASP 26 HA ASP 26 -0.947 -2.391 7.003
174 1HB ASP 26 1HB ASP 26 -1.141 -0.010 5.136
175 2HB ASP 26 2HB ASP 26 -1.249 -0.079 6.893
176 HD2 ASP 26 HD2 ASP 26 2.384 -0.160 5.069
177 H VAL 27 H VAL 27 -3.184 -2.197 7.306
178 HA VAL 27 HA VAL 27 -4.947 -2.579 4.914
179 HB VAL 27 HB VAL 27 -5.233 -3.584 7.776
180 1HG1 VAL 27 1HG1 VAL 27 -7.321 -4.653 6.932
181 2HG1 VAL 27 2HG1 VAL 27 -7.418 -2.886 6.927
182 3HG1 VAL 27 3HG1 VAL 27 -7.142 -3.767 5.402
183 1HG2 VAL 27 1HG2 VAL 27 -4.951 -5.031 5.098
184 2HG2 VAL 27 2HG2 VAL 27 -3.711 -4.958 6.368
185 3HG2 VAL 27 3HG2 VAL 27 -5.232 -5.810 6.667
186 H ARG 28 H ARG 28 -6.320 -0.921 4.551
187 HA ARG 28 HA ARG 28 -6.849 1.056 6.642
188 1HB ARG 28 1HB ARG 28 -5.847 2.864 5.747
189 2HB ARG 28 2HB ARG 28 -4.648 1.596 5.543
190 1HG ARG 28 1HG ARG 28 -6.397 2.906 3.428
191 2HG ARG 28 2HG ARG 28 -4.654 2.945 3.580
192 1HD ARG 28 1HD ARG 28 -6.278 0.425 2.972
193 2HD ARG 28 2HD ARG 28 -5.551 1.446 1.783
194 HE ARG 28 HE ARG 28 -4.237 -0.492 3.517
195 1HH1 ARG 28 1HH1 ARG 28 -3.687 2.458 1.613
196 2HH1 ARG 28 2HH1 ARG 28 -2.003 2.100 1.321
197 1HH2 ARG 28 1HH2 ARG 28 -2.070 -0.933 3.137
198 2HH2 ARG 28 2HH2 ARG 28 -1.057 0.172 2.234
199 H GLU 29 H GLU 29 -7.984 3.074 5.095
200 HA GLU 29 HA GLU 29 -10.413 1.924 4.003
201 1HB GLU 29 1HB GLU 29 -10.076 4.171 5.270
202 2HB GLU 29 2HB GLU 29 -9.462 4.804 3.741
203 1HG GLU 29 1HG GLU 29 -11.669 4.092 2.690
204 2HG GLU 29 2HG GLU 29 -12.178 3.488 4.269
205 HE2 GLU 29 HE2 GLU 29 -13.772 6.602 4.403
206 H LYS 30 H LYS 30 -9.971 4.225 1.742
207 HA LYS 30 HA LYS 30 -9.354 2.348 -0.289
208 1HB LYS 30 1HB LYS 30 -9.212 4.354 -1.758
209 2HB LYS 30 2HB LYS 30 -10.710 4.148 -0.865
210 1HG LYS 30 1HG LYS 30 -10.090 5.957 0.683
211 2HG LYS 30 2HG LYS 30 -8.433 5.966 0.060
212 1HD LYS 30 1HD LYS 30 -9.591 7.863 -0.825
213 2HD LYS 30 2HD LYS 30 -9.260 6.737 -2.151
214 1HE LYS 30 1HE LYS 30 -11.609 5.944 -2.077
215 2HE LYS 30 2HE LYS 30 -11.924 6.981 -0.671
216 1HZ LYS 30 1HZ LYS 30 -11.422 8.870 -2.068
217 2HZ LYS 30 2HZ LYS 30 -11.207 7.884 -3.370
218 3HZ LYS 30 3HZ LYS 30 -12.688 7.995 -2.656
219 H CYS 31 H CYS 31 -7.667 2.413 -1.835
220 HA CYS 31 HA CYS 31 -5.022 2.552 -0.662
221 1HB CYS 31 1HB CYS 31 -5.923 1.955 -3.497
222 2HB CYS 31 2HB CYS 31 -4.301 1.781 -2.849
223 H HIS 32 H HIS 32 -3.259 3.659 -1.974
224 HA HIS 32 HA HIS 32 -3.985 6.480 -2.092
225 1HB HIS 32 1HB HIS 32 -1.544 6.814 -2.141
226 2HB HIS 32 2HB HIS 32 -2.190 6.056 -0.710
227 HD1 HIS 32 HD1 HIS 32 -0.240 5.257 -3.905
228 HD2 HIS 32 HD2 HIS 32 -1.060 3.639 -0.112
229 HE1 HIS 32 HE1 HIS 32 1.302 3.289 -3.622
230 HE2 HIS 32 HE2 HIS 32 0.829 2.240 -1.307
231 H SER 33 H SER 33 -2.694 7.842 -3.600
232 HA SER 33 HA SER 33 -3.718 7.486 -6.201
233 1HB SER 33 1HB SER 33 -3.290 9.656 -5.075
234 2HB SER 33 2HB SER 33 -1.554 9.394 -5.339
235 HG SER 33 HG SER 33 -2.071 9.246 -7.606
236 H ALA 34 H ALA 34 -0.638 6.535 -4.884
237 HA ALA 34 HA ALA 34 0.436 5.834 -7.584
238 1HB ALA 34 1HB ALA 34 1.820 5.781 -4.875
239 2HB ALA 34 2HB ALA 34 2.573 5.626 -6.471
240 3HB ALA 34 3HB ALA 34 1.856 7.172 -5.981
241 H CYS 35 H CYS 35 -1.776 4.357 -6.431
242 HA CYS 35 HA CYS 35 -0.509 1.674 -6.186
243 1HB CYS 35 1HB CYS 35 -1.764 2.543 -4.114
244 2HB CYS 35 2HB CYS 35 -3.230 2.417 -5.091
245 H LYS 36 H LYS 36 -0.950 0.402 -7.910
246 HA LYS 36 HA LYS 36 -3.168 1.112 -9.769
247 1HB LYS 36 1HB LYS 36 -0.417 -0.050 -10.067
248 2HB LYS 36 2HB LYS 36 -1.661 -0.680 -11.133
249 1HG LYS 36 1HG LYS 36 -1.152 2.303 -10.840
250 2HG LYS 36 2HG LYS 36 -0.281 1.273 -11.992
251 1HD LYS 36 1HD LYS 36 -2.477 0.518 -12.950
252 2HD LYS 36 2HD LYS 36 -3.305 1.724 -11.952
253 1HE LYS 36 1HE LYS 36 -1.142 2.316 -14.030
254 2HE LYS 36 2HE LYS 36 -2.886 2.460 -14.300
255 1HZ LYS 36 1HZ LYS 36 -2.981 4.116 -12.605
256 2HZ LYS 36 2HZ LYS 36 -1.363 3.989 -12.312
257 3HZ LYS 36 3HZ LYS 36 -1.897 4.552 -13.765
258 H SER 37 H SER 37 -1.685 -1.521 -7.913
259 HA SER 37 HA SER 37 -4.106 -3.214 -8.407
260 1HB SER 37 1HB SER 37 -1.946 -4.238 -8.985
261 2HB SER 37 2HB SER 37 -1.409 -4.046 -7.302
262 HG SER 37 HG SER 37 -3.237 -5.331 -6.713
263 H CYS 38 H CYS 38 -5.528 -2.957 -6.908
264 HA CYS 38 HA CYS 38 -4.828 -2.595 -4.028
265 1HB CYS 38 1HB CYS 38 -5.510 -0.441 -5.037
266 2HB CYS 38 2HB CYS 38 -6.992 -1.192 -5.632
267 H LEU 39 H LEU 39 -6.062 -3.868 -2.681
268 HA LEU 39 HA LEU 39 -8.267 -5.504 -3.783
269 1HB LEU 39 1HB LEU 39 -5.620 -6.455 -3.649
270 2HB LEU 39 2HB LEU 39 -6.357 -7.113 -2.196
271 HG LEU 39 HG LEU 39 -7.362 -7.416 -5.058
272 1HD1 LEU 39 1HD1 LEU 39 -6.673 -9.791 -4.794
273 2HD1 LEU 39 2HD1 LEU 39 -5.314 -8.666 -4.708
274 3HD1 LEU 39 3HD1 LEU 39 -5.960 -9.392 -3.215
275 1HD2 LEU 39 1HD2 LEU 39 -8.418 -8.592 -2.444
276 2HD2 LEU 39 2HD2 LEU 39 -9.305 -7.599 -3.630
277 3HD2 LEU 39 3HD2 LEU 39 -8.829 -9.241 -4.042
278 H CYS 40 H CYS 40 -9.581 -6.448 -2.110
279 HA CYS 40 HA CYS 40 -9.192 -5.346 0.605
280 1HB CYS 40 1HB CYS 40 -11.822 -5.252 -0.898
281 2HB CYS 40 2HB CYS 40 -11.427 -4.422 0.593
282 H THR 41 H THR 41 -10.603 -6.294 2.216
283 HA THR 41 HA THR 41 -10.939 -9.195 1.650
284 HB THR 41 HB THR 41 -9.519 -8.586 3.555
285 HG1 THR 41 HG1 THR 41 -10.653 -10.522 3.529
286 1HG2 THR 41 1HG2 THR 41 -10.539 -7.780 5.641
287 2HG2 THR 41 2HG2 THR 41 -10.633 -6.549 4.373
288 3HG2 THR 41 3HG2 THR 41 -12.077 -7.493 4.811
289 H ARG 42 H ARG 42 -12.863 -10.271 2.230
290 HA ARG 42 HA ARG 42 -15.316 -8.620 2.051
291 1HB ARG 42 1HB ARG 42 -16.383 -10.658 1.330
292 2HB ARG 42 2HB ARG 42 -14.999 -10.258 0.306
293 1HG ARG 42 1HG ARG 42 -13.635 -11.953 1.449
294 2HG ARG 42 2HG ARG 42 -14.997 -12.339 2.528
295 1HD ARG 42 1HD ARG 42 -16.357 -13.024 0.597
296 2HD ARG 42 2HD ARG 42 -15.058 -12.601 -0.519
297 HE ARG 42 HE ARG 42 -15.338 -14.995 1.103
298 1HH1 ARG 42 1HH1 ARG 42 -12.931 -12.928 -0.498
299 2HH1 ARG 42 2HH1 ARG 42 -11.772 -14.218 -0.692
300 1HH2 ARG 42 1HH2 ARG 42 -13.816 -16.678 0.817
301 2HH2 ARG 42 2HH2 ARG 42 -12.278 -16.355 0.061
302 H SER 43 H SER 43 -13.519 -9.286 4.573
303 HA SER 43 HA SER 43 -15.260 -10.636 6.367
304 1HB SER 43 1HB SER 43 -13.124 -8.530 6.897
305 2HB SER 43 2HB SER 43 -13.750 -9.720 8.044
306 HG SER 43 HG SER 43 -12.942 -11.353 6.607
307 H PHE 44 H PHE 44 -15.884 -9.222 8.430
308 HA PHE 44 HA PHE 44 -17.259 -6.724 7.572
309 1HB PHE 44 1HB PHE 44 -18.890 -8.466 7.838
310 2HB PHE 44 2HB PHE 44 -18.275 -8.860 9.442
311 HD1 PHE 44 HD1 PHE 44 -19.135 -7.723 11.360
312 HD2 PHE 44 HD2 PHE 44 -19.775 -6.053 7.432
313 HE1 PHE 44 HE1 PHE 44 -20.619 -5.994 12.332
314 HE2 PHE 44 HE2 PHE 44 -21.236 -4.307 8.419
315 HZ PHE 44 HZ PHE 44 -21.661 -4.275 10.869
316 HA PRO 45 HA PRO 45 -17.131 -4.640 7.994
317 1HB PRO 45 1HB PRO 45 -15.453 -2.542 8.264
318 2HB PRO 45 2HB PRO 45 -16.816 -2.846 9.371
319 1HG PRO 45 1HG PRO 45 -13.922 -3.652 9.806
320 2HG PRO 45 2HG PRO 45 -14.975 -2.735 10.918
321 1HD PRO 45 1HD PRO 45 -14.655 -5.426 11.150
322 2HD PRO 45 2HD PRO 45 -16.259 -4.683 11.410
323 HA PRO 46 HA PRO 46 -13.780 -5.827 5.092
324 1HB PRO 46 1HB PRO 46 -14.690 -4.742 2.797
325 2HB PRO 46 2HB PRO 46 -15.556 -6.077 3.608
326 1HG PRO 46 1HG PRO 46 -16.187 -3.118 3.752
327 2HG PRO 46 2HG PRO 46 -17.309 -4.472 3.449
328 1HD PRO 46 1HD PRO 46 -16.928 -3.343 5.945
329 2HD PRO 46 2HD PRO 46 -17.349 -5.066 5.708
330 H GLN 47 H GLN 47 -11.771 -4.904 4.968
331 HA GLN 47 HA GLN 47 -11.491 -1.959 4.558
332 1HB GLN 47 1HB GLN 47 -9.821 -3.968 6.129
333 2HB GLN 47 2HB GLN 47 -9.203 -2.427 5.543
334 1HG GLN 47 1HG GLN 47 -9.845 -2.124 7.831
335 2HG GLN 47 2HG GLN 47 -10.927 -1.188 6.788
336 1HE2 GLN 47 1HE2 GLN 47 -10.685 -4.522 8.185
337 2HE2 GLN 47 2HE2 GLN 47 -12.390 -4.654 8.575
338 H CYS 48 H CYS 48 -9.552 -1.397 3.316
339 HA CYS 48 HA CYS 48 -8.949 -3.385 1.191
340 1HB CYS 48 1HB CYS 48 -9.322 -0.409 1.127
341 2HB CYS 48 2HB CYS 48 -8.576 -1.308 -0.186
342 H ARG 49 H ARG 49 -6.880 -2.920 0.077
343 HA ARG 49 HA ARG 49 -4.647 -1.873 1.681
344 1HB ARG 49 1HB ARG 49 -4.879 -3.952 2.768
345 2HB ARG 49 2HB ARG 49 -5.209 -4.771 1.232
346 1HG ARG 49 1HG ARG 49 -2.853 -4.387 0.520
347 2HG ARG 49 2HG ARG 49 -2.535 -3.520 2.015
348 1HD ARG 49 1HD ARG 49 -1.747 -5.910 1.981
349 2HD ARG 49 2HD ARG 49 -2.809 -5.472 3.329
350 HE ARG 49 HE ARG 49 -4.176 -7.139 2.720
351 1HH1 ARG 49 1HH1 ARG 49 -2.650 -6.114 -0.352
352 2HH1 ARG 49 2HH1 ARG 49 -3.721 -7.104 -1.306
353 1HH2 ARG 49 1HH2 ARG 49 -5.463 -8.456 1.428
354 2HH2 ARG 49 2HH2 ARG 49 -5.251 -8.490 -0.303
355 H CYS 50 H CYS 50 -2.824 -1.691 0.462
356 HA CYS 50 HA CYS 50 -3.233 -1.651 -2.484
357 1HB CYS 50 1HB CYS 50 -2.458 0.422 -1.408
358 2HB CYS 50 2HB CYS 50 -1.037 -0.430 -0.790
359 H TYR 51 H TYR 51 -2.422 -3.218 -3.713
360 HA TYR 51 HA TYR 51 -0.372 -5.098 -2.649
361 1HB TYR 51 1HB TYR 51 -2.917 -5.556 -3.653
362 2HB TYR 51 2HB TYR 51 -1.947 -5.783 -5.083
363 HD1 TYR 51 HD1 TYR 51 -3.714 -7.726 -3.312
364 HD2 TYR 51 HD2 TYR 51 0.530 -7.125 -3.761
365 HE1 TYR 51 HE1 TYR 51 -3.307 -10.068 -2.629
366 HE2 TYR 51 HE2 TYR 51 0.924 -9.467 -3.097
367 HH TYR 51 HH TYR 51 -0.011 -11.456 -2.453
368 H ASP 52 H ASP 52 -0.312 -2.322 -4.329
369 HA ASP 52 HA ASP 52 0.722 -3.040 -6.869
370 1HB ASP 52 1HB ASP 52 -0.273 -0.853 -6.357
371 2HB ASP 52 2HB ASP 52 1.100 -0.459 -5.300
372 HD2 ASP 52 HD2 ASP 52 2.929 0.763 -7.960
373 H ILE 53 H ILE 53 2.796 -3.031 -7.684
374 HA ILE 53 HA ILE 53 4.837 -3.925 -5.723
375 HB ILE 53 HB ILE 53 4.477 -4.514 -8.685
376 1HG1 ILE 53 1HG1 ILE 53 2.642 -5.535 -7.475
377 2HG1 ILE 53 2HG1 ILE 53 3.787 -6.766 -7.987
378 1HG2 ILE 53 1HG2 ILE 53 6.796 -4.716 -8.124
379 2HG2 ILE 53 2HG2 ILE 53 6.412 -5.535 -6.601
380 3HG2 ILE 53 3HG2 ILE 53 6.142 -6.361 -8.153
381 1HD1 ILE 53 1HD1 ILE 53 4.733 -6.820 -5.655
382 2HD1 ILE 53 2HD1 ILE 53 3.483 -5.652 -5.161
383 3HD1 ILE 53 3HD1 ILE 53 3.018 -7.253 -5.747
384 H THR 54 H THR 54 6.768 -2.958 -5.589
385 HA THR 54 HA THR 54 7.666 -1.001 -7.632
386 HB THR 54 HB THR 54 8.157 0.608 -5.746
387 HG1 THR 54 HG1 THR 54 6.535 -1.208 -4.288
388 1HG2 THR 54 1HG2 THR 54 5.978 1.529 -5.542
389 2HG2 THR 54 2HG2 THR 54 6.129 0.868 -7.179
390 3HG2 THR 54 3HG2 THR 54 5.197 -0.014 -5.943
391 H ASP 55 H ASP 55 9.929 -0.139 -6.713
392 HA ASP 55 HA ASP 55 11.537 -2.450 -5.701
393 1HB ASP 55 1HB ASP 55 12.084 -1.588 -7.975
394 2HB ASP 55 2HB ASP 55 12.408 0.004 -7.283
395 HD2 ASP 55 HD2 ASP 55 14.950 -3.026 -6.267
396 H PHE 56 H PHE 56 10.035 0.381 -4.749
397 HA PHE 56 HA PHE 56 12.037 1.108 -2.664
398 1HB PHE 56 1HB PHE 56 11.432 3.480 -3.209
399 2HB PHE 56 2HB PHE 56 12.246 2.642 -4.496
400 HD1 PHE 56 HD1 PHE 56 9.027 4.098 -3.395
401 HD2 PHE 56 HD2 PHE 56 11.099 2.125 -6.621
402 HE1 PHE 56 HE1 PHE 56 7.133 4.586 -4.907
403 HE2 PHE 56 HE2 PHE 56 9.193 2.610 -8.132
404 HZ PHE 56 HZ PHE 56 7.204 3.832 -7.276
405 H CYS 57 H CYS 57 10.756 2.997 -1.407
406 HA CYS 57 HA CYS 57 8.135 1.903 -0.453
407 1HB CYS 57 1HB CYS 57 9.863 1.418 1.167
408 2HB CYS 57 2HB CYS 57 10.450 3.090 1.097
409 H TYR 58 H TYR 58 6.606 3.447 0.110
410 HA TYR 58 HA TYR 58 6.773 6.013 -1.266
411 1HB TYR 58 1HB TYR 58 4.628 4.785 0.491
412 2HB TYR 58 2HB TYR 58 4.394 6.146 -0.556
413 HD1 TYR 58 HD1 TYR 58 4.518 2.524 -0.369
414 HD2 TYR 58 HD2 TYR 58 4.472 5.889 -3.059
415 HE1 TYR 58 HE1 TYR 58 3.883 1.019 -2.233
416 HE2 TYR 58 HE2 TYR 58 3.941 4.365 -4.945
417 HH TYR 58 HH TYR 58 3.440 0.850 -4.485
418 HA PRO 59 HA PRO 59 7.830 8.412 2.369
419 1HB PRO 59 1HB PRO 59 6.070 10.552 2.317
420 2HB PRO 59 2HB PRO 59 7.477 10.381 1.224
421 1HG PRO 59 1HG PRO 59 4.613 9.591 0.687
422 2HG PRO 59 2HG PRO 59 5.675 10.583 -0.359
423 1HD PRO 59 1HD PRO 59 5.386 7.987 -0.878
424 2HD PRO 59 2HD PRO 59 7.027 8.669 -0.912
425 H SER 60 H SER 60 7.003 9.025 4.558
426 HA SER 60 HA SER 60 5.370 6.998 5.578
427 1HB SER 60 1HB SER 60 5.386 8.665 7.617
428 2HB SER 60 2HB SER 60 6.781 7.702 7.159
429 HG SER 60 HG SER 60 7.701 9.498 6.227
430 H CYS 61 H CYS 61 3.346 6.912 6.212
431 HA CYS 61 HA CYS 61 1.455 9.051 5.351
432 1HB CYS 61 1HB CYS 61 1.457 6.213 5.058
433 2HB CYS 61 2HB CYS 61 0.203 6.554 6.207
434 H SER 62 H SER 62 -0.692 8.615 6.841
435 HA SER 62 HA SER 62 0.063 9.628 9.483
436 1HB SER 62 1HB SER 62 -2.677 9.055 8.290
437 2HB SER 62 2HB SER 62 -2.311 10.055 9.713
438 HG SER 62 HG SER 62 -2.610 11.266 7.760
Start of MODEL 15
1 1H THR 1 1H THR 1 0.105 18.884 -11.106
2 2H THR 1 2H THR 1 -0.089 17.477 -10.250
3 3H THR 1 3H THR 1 -1.085 18.758 -9.968
4 HA THR 1 HA THR 1 1.792 18.790 -9.474
5 HB THR 1 HB THR 1 1.277 20.850 -8.217
6 HG1 THR 1 HG1 THR 1 -0.816 21.740 -8.500
7 1HG2 THR 1 1HG2 THR 1 1.935 20.957 -10.639
8 2HG2 THR 1 2HG2 THR 1 0.212 21.027 -11.072
9 3HG2 THR 1 3HG2 THR 1 0.939 22.320 -10.105
10 H LYS 2 H LYS 2 1.923 19.341 -6.865
11 HA LYS 2 HA LYS 2 1.418 16.858 -5.637
12 1HB LYS 2 1HB LYS 2 3.203 18.452 -5.009
13 2HB LYS 2 2HB LYS 2 1.985 19.536 -4.311
14 1HG LYS 2 1HG LYS 2 1.277 17.622 -2.794
15 2HG LYS 2 2HG LYS 2 2.632 16.679 -3.426
16 1HD LYS 2 1HD LYS 2 2.869 19.372 -2.000
17 2HD LYS 2 2HD LYS 2 3.023 17.792 -1.216
18 1HE LYS 2 1HE LYS 2 4.948 17.241 -2.705
19 2HE LYS 2 2HE LYS 2 4.859 18.873 -3.401
20 1HZ LYS 2 1HZ LYS 2 6.481 18.693 -1.656
21 2HZ LYS 2 2HZ LYS 2 5.300 19.768 -1.251
22 3HZ LYS 2 3HZ LYS 2 5.322 18.269 -0.566
23 H SER 3 H SER 3 -0.580 16.076 -5.314
24 HA SER 3 HA SER 3 -2.891 17.786 -4.789
25 1HB SER 3 1HB SER 3 -4.099 15.633 -5.102
26 2HB SER 3 2HB SER 3 -2.949 15.935 -6.411
27 HG SER 3 HG SER 3 -2.606 14.214 -4.181
28 H THR 4 H THR 4 -4.510 16.557 -3.185
29 HA THR 4 HA THR 4 -3.397 16.331 -0.514
30 HB THR 4 HB THR 4 -5.710 17.079 -0.942
31 HG1 THR 4 HG1 THR 4 -6.615 15.762 0.666
32 1HG2 THR 4 1HG2 THR 4 -6.252 14.201 -1.817
33 2HG2 THR 4 2HG2 THR 4 -7.469 15.448 -1.503
34 3HG2 THR 4 3HG2 THR 4 -6.342 15.641 -2.852
35 H THR 5 H THR 5 -3.952 14.227 0.663
36 HA THR 5 HA THR 5 -2.324 12.513 0.981
37 HB THR 5 HB THR 5 -4.461 12.003 1.797
38 HG1 THR 5 HG1 THR 5 -2.955 10.319 1.793
39 1HG2 THR 5 1HG2 THR 5 -5.271 10.858 -0.908
40 2HG2 THR 5 2HG2 THR 5 -6.193 10.802 0.599
41 3HG2 THR 5 3HG2 THR 5 -5.884 12.358 -0.181
42 H THR 6 H THR 6 -0.655 12.662 -0.477
43 HA THR 6 HA THR 6 -0.703 11.628 -3.152
44 HB THR 6 HB THR 6 1.728 12.007 -2.993
45 HG1 THR 6 HG1 THR 6 1.957 11.405 -0.787
46 1HG2 THR 6 1HG2 THR 6 0.105 14.286 -1.784
47 2HG2 THR 6 2HG2 THR 6 1.680 14.413 -2.582
48 3HG2 THR 6 3HG2 THR 6 0.255 13.915 -3.515
49 H ALA 7 H ALA 7 1.165 10.048 -3.721
50 HA ALA 7 HA ALA 7 0.395 7.466 -2.878
51 1HB ALA 7 1HB ALA 7 1.429 7.896 -5.038
52 2HB ALA 7 2HB ALA 7 2.963 8.338 -4.249
53 3HB ALA 7 3HB ALA 7 2.339 6.678 -4.116
54 H CYS 8 H CYS 8 0.695 6.563 -0.982
55 HA CYS 8 HA CYS 8 3.142 7.055 0.648
56 1HB CYS 8 1HB CYS 8 1.813 7.614 2.527
57 2HB CYS 8 2HB CYS 8 1.275 8.652 1.245
58 H CYS 9 H CYS 9 2.465 5.780 2.785
59 HA CYS 9 HA CYS 9 1.126 3.302 2.631
60 1HB CYS 9 1HB CYS 9 3.198 2.855 1.121
61 2HB CYS 9 2HB CYS 9 4.160 3.065 2.575
62 H ASP 10 H ASP 10 1.767 2.026 4.738
63 HA ASP 10 HA ASP 10 2.979 3.855 6.787
64 1HB ASP 10 1HB ASP 10 0.646 3.264 7.260
65 2HB ASP 10 2HB ASP 10 1.055 1.545 7.181
66 HD2 ASP 10 HD2 ASP 10 3.196 3.007 10.191
67 H PHE 11 H PHE 11 2.546 0.352 6.013
68 HA PHE 11 HA PHE 11 5.406 -0.124 6.721
69 1HB PHE 11 1HB PHE 11 3.057 -2.007 6.895
70 2HB PHE 11 2HB PHE 11 4.690 -2.276 7.483
71 HD1 PHE 11 HD1 PHE 11 1.655 -2.095 8.793
72 HD2 PHE 11 HD2 PHE 11 5.292 0.230 8.980
73 HE1 PHE 11 HE1 PHE 11 0.994 -1.218 11.010
74 HE2 PHE 11 HE2 PHE 11 4.610 1.109 11.183
75 HZ PHE 11 HZ PHE 11 2.473 0.372 12.218
76 H CYS 12 H CYS 12 6.472 -0.274 4.881
77 HA CYS 12 HA CYS 12 5.440 -2.061 2.781
78 1HB CYS 12 1HB CYS 12 7.062 -0.595 1.293
79 2HB CYS 12 2HB CYS 12 5.350 -0.344 1.488
80 HA PRO 13 HA PRO 13 9.387 -4.029 3.951
81 1HB PRO 13 1HB PRO 13 8.573 -6.623 3.632
82 2HB PRO 13 2HB PRO 13 8.291 -5.688 5.127
83 1HG PRO 13 1HG PRO 13 6.374 -6.127 2.824
84 2HG PRO 13 2HG PRO 13 6.056 -6.352 4.570
85 1HD PRO 13 1HD PRO 13 5.339 -4.106 3.274
86 2HD PRO 13 2HD PRO 13 5.983 -4.006 4.938
87 H CYS 14 H CYS 14 10.627 -5.610 2.555
88 HA CYS 14 HA CYS 14 9.829 -5.632 -0.276
89 1HB CYS 14 1HB CYS 14 12.620 -5.011 0.745
90 2HB CYS 14 2HB CYS 14 12.112 -5.059 -0.935
91 H THR 15 H THR 15 10.879 -7.261 -1.503
92 HA THR 15 HA THR 15 11.307 -9.740 0.035
93 HB THR 15 HB THR 15 11.202 -10.745 -2.271
94 HG1 THR 15 HG1 THR 15 10.412 -8.135 -3.038
95 1HG2 THR 15 1HG2 THR 15 9.191 -10.572 -0.828
96 2HG2 THR 15 2HG2 THR 15 8.835 -8.972 -1.512
97 3HG2 THR 15 3HG2 THR 15 8.786 -10.412 -2.549
98 H ARG 16 H ARG 16 13.083 -11.174 -0.659
99 HA ARG 16 HA ARG 16 15.628 -9.659 -1.097
100 1HB ARG 16 1HB ARG 16 15.078 -12.347 0.215
101 2HB ARG 16 2HB ARG 16 16.665 -11.588 0.003
102 1HG ARG 16 1HG ARG 16 15.947 -9.666 1.399
103 2HG ARG 16 2HG ARG 16 14.375 -10.454 1.665
104 1HD ARG 16 1HD ARG 16 15.539 -12.422 2.627
105 2HD ARG 16 2HD ARG 16 17.099 -11.591 2.433
106 HE ARG 16 HE ARG 16 15.600 -9.798 3.871
107 1HH1 ARG 16 1HH1 ARG 16 16.509 -13.197 4.356
108 2HH1 ARG 16 2HH1 ARG 16 16.432 -13.102 6.095
109 1HH2 ARG 16 1HH2 ARG 16 15.519 -9.681 6.152
110 2HH2 ARG 16 2HH2 ARG 16 15.874 -11.086 7.124
111 H SER 17 H SER 17 13.831 -10.398 -3.288
112 HA SER 17 HA SER 17 15.162 -12.588 -4.714
113 1HB SER 17 1HB SER 17 13.365 -11.777 -6.435
114 2HB SER 17 2HB SER 17 12.839 -12.593 -4.962
115 HG SER 17 HG SER 17 11.641 -10.704 -5.303
116 H ILE 18 H ILE 18 15.389 -11.936 -7.141
117 HA ILE 18 HA ILE 18 16.965 -9.431 -7.385
118 HB ILE 18 HB ILE 18 18.349 -11.338 -6.915
119 1HG1 ILE 18 1HG1 ILE 18 19.287 -9.440 -8.019
120 2HG1 ILE 18 2HG1 ILE 18 20.066 -10.938 -8.522
121 1HG2 ILE 18 1HG2 ILE 18 17.628 -12.571 -9.590
122 2HG2 ILE 18 2HG2 ILE 18 18.865 -13.092 -8.448
123 3HG2 ILE 18 3HG2 ILE 18 17.160 -13.169 -7.987
124 1HD1 ILE 18 1HD1 ILE 18 19.840 -9.514 -10.435
125 2HD1 ILE 18 2HD1 ILE 18 18.718 -10.864 -10.658
126 3HD1 ILE 18 3HD1 ILE 18 18.117 -9.265 -10.155
127 HA PRO 19 HA PRO 19 16.524 -7.562 -8.297
128 1HB PRO 19 1HB PRO 19 14.614 -5.801 -9.011
129 2HB PRO 19 2HB PRO 19 15.917 -6.299 -10.130
130 1HG PRO 19 1HG PRO 19 13.094 -7.402 -9.972
131 2HG PRO 19 2HG PRO 19 13.957 -6.816 -11.427
132 1HD PRO 19 1HD PRO 19 13.863 -9.464 -10.759
133 2HD PRO 19 2HD PRO 19 15.331 -8.755 -11.486
134 HA PRO 20 HA PRO 20 13.574 -8.123 -4.912
135 1HB PRO 20 1HB PRO 20 14.107 -6.031 -3.285
136 2HB PRO 20 2HB PRO 20 15.286 -7.343 -3.580
137 1HG PRO 20 1HG PRO 20 15.183 -4.630 -4.928
138 2HG PRO 20 2HG PRO 20 16.597 -5.430 -4.184
139 1HD PRO 20 1HD PRO 20 16.073 -5.548 -6.880
140 2HD PRO 20 2HD PRO 20 16.827 -6.911 -6.000
141 H GLN 21 H GLN 21 11.448 -7.592 -4.548
142 HA GLN 21 HA GLN 21 10.280 -5.154 -5.840
143 1HB GLN 21 1HB GLN 21 9.110 -7.860 -5.082
144 2HB GLN 21 2HB GLN 21 8.179 -6.458 -5.586
145 1HG GLN 21 1HG GLN 21 8.470 -7.023 -7.733
146 2HG GLN 21 2HG GLN 21 10.205 -6.745 -7.580
147 1HE2 GLN 21 1HE2 GLN 21 11.596 -8.603 -6.996
148 2HE2 GLN 21 2HE2 GLN 21 11.033 -10.226 -7.314
149 H CYS 22 H CYS 22 9.416 -3.673 -4.498
150 HA CYS 22 HA CYS 22 9.006 -4.305 -1.611
151 1HB CYS 22 1HB CYS 22 9.389 -1.681 -2.987
152 2HB CYS 22 2HB CYS 22 9.092 -1.888 -1.260
153 H GLN 23 H GLN 23 7.068 -3.884 -0.702
154 HA GLN 23 HA GLN 23 4.846 -2.759 -2.233
155 1HB GLN 23 1HB GLN 23 3.563 -4.788 -2.086
156 2HB GLN 23 2HB GLN 23 4.976 -5.078 -3.092
157 1HG GLN 23 1HG GLN 23 4.607 -5.939 -0.170
158 2HG GLN 23 2HG GLN 23 4.398 -6.972 -1.583
159 1HE2 GLN 23 1HE2 GLN 23 6.495 -6.663 -3.192
160 2HE2 GLN 23 2HE2 GLN 23 8.007 -6.967 -2.358
161 H CYS 24 H CYS 24 2.783 -3.001 -0.840
162 HA CYS 24 HA CYS 24 3.520 -2.316 1.963
163 1HB CYS 24 1HB CYS 24 1.123 -1.656 0.299
164 2HB CYS 24 2HB CYS 24 1.268 -1.268 2.006
165 H THR 25 H THR 25 2.550 -3.244 3.652
166 HA THR 25 HA THR 25 0.784 -5.619 3.187
167 HB THR 25 HB THR 25 3.016 -6.223 3.966
168 HG1 THR 25 HG1 THR 25 0.882 -6.508 5.800
169 1HG2 THR 25 1HG2 THR 25 3.587 -4.163 5.194
170 2HG2 THR 25 2HG2 THR 25 2.340 -4.521 6.407
171 3HG2 THR 25 3HG2 THR 25 3.746 -5.597 6.220
172 H ASP 26 H ASP 26 1.054 -2.465 4.638
173 HA ASP 26 HA ASP 26 -0.632 -2.844 6.864
174 1HB ASP 26 1HB ASP 26 0.807 -0.908 6.629
175 2HB ASP 26 2HB ASP 26 -0.075 -0.375 5.183
176 HD2 ASP 26 HD2 ASP 26 -2.090 -0.159 8.722
177 H VAL 27 H VAL 27 -2.735 -2.053 7.178
178 HA VAL 27 HA VAL 27 -4.613 -2.223 4.860
179 HB VAL 27 HB VAL 27 -4.923 -3.457 7.635
180 1HG1 VAL 27 1HG1 VAL 27 -7.080 -2.622 6.829
181 2HG1 VAL 27 2HG1 VAL 27 -6.830 -3.410 5.251
182 3HG1 VAL 27 3HG1 VAL 27 -7.038 -4.388 6.720
183 1HG2 VAL 27 1HG2 VAL 27 -5.021 -5.602 6.342
184 2HG2 VAL 27 2HG2 VAL 27 -4.604 -4.707 4.866
185 3HG2 VAL 27 3HG2 VAL 27 -3.447 -4.812 6.210
186 H ARG 28 H ARG 28 -6.322 -0.783 4.931
187 HA ARG 28 HA ARG 28 -6.791 1.076 7.100
188 1HB ARG 28 1HB ARG 28 -4.544 1.719 5.770
189 2HB ARG 28 2HB ARG 28 -5.661 2.307 4.575
190 1HG ARG 28 1HG ARG 28 -5.137 4.179 5.895
191 2HG ARG 28 2HG ARG 28 -6.738 3.720 6.479
192 1HD ARG 28 1HD ARG 28 -5.300 4.315 8.308
193 2HD ARG 28 2HD ARG 28 -5.721 2.597 8.431
194 HE ARG 28 HE ARG 28 -3.319 2.636 7.033
195 1HH1 ARG 28 1HH1 ARG 28 -4.400 3.823 10.184
196 2HH1 ARG 28 2HH1 ARG 28 -2.836 3.625 10.936
197 1HH2 ARG 28 1HH2 ARG 28 -1.311 2.353 8.004
198 2HH2 ARG 28 2HH2 ARG 28 -1.036 2.764 9.676
199 H GLU 29 H GLU 29 -7.680 3.071 4.975
200 HA GLU 29 HA GLU 29 -10.079 1.693 3.962
201 1HB GLU 29 1HB GLU 29 -10.134 3.866 5.325
202 2HB GLU 29 2HB GLU 29 -9.460 4.675 3.908
203 1HG GLU 29 1HG GLU 29 -11.439 3.727 2.590
204 2HG GLU 29 2HG GLU 29 -12.043 3.051 4.105
205 HE2 GLU 29 HE2 GLU 29 -12.937 6.236 5.427
206 H LYS 30 H LYS 30 -9.621 4.206 1.925
207 HA LYS 30 HA LYS 30 -9.346 2.466 -0.216
208 1HB LYS 30 1HB LYS 30 -9.521 4.468 -1.587
209 2HB LYS 30 2HB LYS 30 -10.622 4.512 -0.228
210 1HG LYS 30 1HG LYS 30 -8.951 6.022 0.990
211 2HG LYS 30 2HG LYS 30 -7.939 5.963 -0.457
212 1HD LYS 30 1HD LYS 30 -9.113 7.994 -0.580
213 2HD LYS 30 2HD LYS 30 -9.882 6.929 -1.768
214 1HE LYS 30 1HE LYS 30 -11.730 6.476 -0.145
215 2HE LYS 30 2HE LYS 30 -10.912 7.485 1.062
216 1HZ LYS 30 1HZ LYS 30 -12.634 8.658 -0.051
217 2HZ LYS 30 2HZ LYS 30 -11.180 9.343 -0.416
218 3HZ LYS 30 3HZ LYS 30 -11.948 8.395 -1.526
219 H CYS 31 H CYS 31 -8.005 3.031 -2.149
220 HA CYS 31 HA CYS 31 -5.281 2.339 -1.607
221 1HB CYS 31 1HB CYS 31 -6.025 3.302 -4.315
222 2HB CYS 31 2HB CYS 31 -5.140 1.869 -3.819
223 H HIS 32 H HIS 32 -3.369 3.641 -2.135
224 HA HIS 32 HA HIS 32 -3.742 6.520 -1.918
225 1HB HIS 32 1HB HIS 32 -1.366 6.667 -1.732
226 2HB HIS 32 2HB HIS 32 -2.014 5.476 -0.666
227 HD1 HIS 32 HD1 HIS 32 0.150 5.703 -3.814
228 HD2 HIS 32 HD2 HIS 32 -1.137 2.961 -0.908
229 HE1 HIS 32 HE1 HIS 32 1.652 3.653 -3.995
230 HE2 HIS 32 HE2 HIS 32 0.865 1.933 -2.284
231 H SER 33 H SER 33 -1.980 7.715 -3.310
232 HA SER 33 HA SER 33 -3.189 7.804 -5.918
233 1HB SER 33 1HB SER 33 -2.566 9.773 -4.483
234 2HB SER 33 2HB SER 33 -0.876 9.424 -4.895
235 HG SER 33 HG SER 33 -1.497 9.624 -7.104
236 H ALA 34 H ALA 34 -1.344 5.392 -5.321
237 HA ALA 34 HA ALA 34 -0.317 5.290 -8.015
238 1HB ALA 34 1HB ALA 34 1.595 6.507 -7.010
239 2HB ALA 34 2HB ALA 34 1.757 5.233 -5.783
240 3HB ALA 34 3HB ALA 34 2.039 4.865 -7.494
241 H CYS 35 H CYS 35 -2.128 3.730 -7.553
242 HA CYS 35 HA CYS 35 -1.066 1.161 -6.484
243 1HB CYS 35 1HB CYS 35 -3.812 2.381 -6.162
244 2HB CYS 35 2HB CYS 35 -3.406 0.702 -5.766
245 H LYS 36 H LYS 36 -0.962 -0.369 -7.881
246 HA LYS 36 HA LYS 36 -2.568 -0.338 -10.383
247 1HB LYS 36 1HB LYS 36 0.216 -0.725 -9.861
248 2HB LYS 36 2HB LYS 36 -0.412 -2.313 -10.288
249 1HG LYS 36 1HG LYS 36 -0.822 0.222 -11.938
250 2HG LYS 36 2HG LYS 36 0.493 -0.941 -12.170
251 1HD LYS 36 1HD LYS 36 -1.127 -2.740 -12.664
252 2HD LYS 36 2HD LYS 36 -2.474 -1.627 -12.387
253 1HE LYS 36 1HE LYS 36 -2.093 -1.869 -14.775
254 2HE LYS 36 2HE LYS 36 -1.729 -0.209 -14.274
255 1HZ LYS 36 1HZ LYS 36 0.257 -2.329 -14.727
256 2HZ LYS 36 2HZ LYS 36 -0.098 -1.107 -15.771
257 3HZ LYS 36 3HZ LYS 36 0.587 -0.767 -14.315
258 H SER 37 H SER 37 -1.742 -2.067 -7.445
259 HA SER 37 HA SER 37 -3.984 -3.976 -7.908
260 1HB SER 37 1HB SER 37 -1.782 -5.135 -7.826
261 2HB SER 37 2HB SER 37 -1.476 -4.415 -6.242
262 HG SER 37 HG SER 37 -2.391 -6.517 -6.110
263 H CYS 38 H CYS 38 -5.580 -3.738 -6.463
264 HA CYS 38 HA CYS 38 -5.155 -2.798 -3.757
265 1HB CYS 38 1HB CYS 38 -5.350 -0.700 -5.125
266 2HB CYS 38 2HB CYS 38 -6.941 -1.230 -5.667
267 H LEU 39 H LEU 39 -6.859 -3.468 -2.390
268 HA LEU 39 HA LEU 39 -9.144 -4.891 -3.565
269 1HB LEU 39 1HB LEU 39 -6.861 -6.358 -3.388
270 2HB LEU 39 2HB LEU 39 -7.328 -6.441 -1.720
271 HG LEU 39 HG LEU 39 -9.472 -7.536 -2.347
272 1HD1 LEU 39 1HD1 LEU 39 -8.323 -7.384 -5.175
273 2HD1 LEU 39 2HD1 LEU 39 -9.681 -8.418 -4.687
274 3HD1 LEU 39 3HD1 LEU 39 -9.852 -6.664 -4.623
275 1HD2 LEU 39 1HD2 LEU 39 -8.458 -9.666 -3.004
276 2HD2 LEU 39 2HD2 LEU 39 -6.978 -8.826 -3.515
277 3HD2 LEU 39 3HD2 LEU 39 -7.448 -8.843 -1.803
278 H CYS 40 H CYS 40 -10.482 -5.933 -1.766
279 HA CYS 40 HA CYS 40 -10.083 -4.713 0.879
280 1HB CYS 40 1HB CYS 40 -12.723 -4.789 -0.577
281 2HB CYS 40 2HB CYS 40 -12.477 -4.237 1.072
282 H THR 41 H THR 41 -11.369 -5.747 2.541
283 HA THR 41 HA THR 41 -11.138 -8.654 2.336
284 HB THR 41 HB THR 41 -11.906 -8.544 4.718
285 HG1 THR 41 HG1 THR 41 -13.036 -6.521 4.437
286 1HG2 THR 41 1HG2 THR 41 -9.836 -7.521 5.575
287 2HG2 THR 41 2HG2 THR 41 -9.525 -8.563 4.171
288 3HG2 THR 41 3HG2 THR 41 -9.521 -6.795 3.985
289 H ARG 42 H ARG 42 -12.801 -10.110 2.641
290 HA ARG 42 HA ARG 42 -15.528 -9.237 1.851
291 1HB ARG 42 1HB ARG 42 -15.831 -11.621 1.306
292 2HB ARG 42 2HB ARG 42 -14.605 -10.808 0.323
293 1HG ARG 42 1HG ARG 42 -12.808 -11.856 1.542
294 2HG ARG 42 2HG ARG 42 -13.937 -12.528 2.736
295 1HD ARG 42 1HD ARG 42 -15.031 -13.835 0.857
296 2HD ARG 42 2HD ARG 42 -13.785 -13.214 -0.229
297 HE ARG 42 HE ARG 42 -12.262 -14.693 0.624
298 1HH1 ARG 42 1HH1 ARG 42 -15.018 -14.552 2.869
299 2HH1 ARG 42 2HH1 ARG 42 -14.478 -15.920 3.807
300 1HH2 ARG 42 1HH2 ARG 42 -11.563 -16.468 1.883
301 2HH2 ARG 42 2HH2 ARG 42 -12.503 -17.003 3.252
302 H SER 43 H SER 43 -15.012 -8.455 4.322
303 HA SER 43 HA SER 43 -16.831 -10.050 5.890
304 1HB SER 43 1HB SER 43 -14.560 -11.067 6.381
305 2HB SER 43 2HB SER 43 -14.046 -9.496 7.019
306 HG SER 43 HG SER 43 -16.131 -11.203 7.940
307 H PHE 44 H PHE 44 -16.272 -8.804 8.300
308 HA PHE 44 HA PHE 44 -16.846 -5.931 7.775
309 1HB PHE 44 1HB PHE 44 -18.932 -7.245 8.142
310 2HB PHE 44 2HB PHE 44 -18.367 -7.615 9.768
311 HD1 PHE 44 HD1 PHE 44 -19.640 -4.996 7.492
312 HD2 PHE 44 HD2 PHE 44 -18.244 -5.814 11.491
313 HE1 PHE 44 HE1 PHE 44 -20.540 -2.815 8.256
314 HE2 PHE 44 HE2 PHE 44 -19.146 -3.630 12.246
315 HZ PHE 44 HZ PHE 44 -20.305 -2.135 10.634
316 HA PRO 45 HA PRO 45 -16.527 -3.969 8.861
317 1HB PRO 45 1HB PRO 45 -14.380 -2.279 9.099
318 2HB PRO 45 2HB PRO 45 -15.568 -2.578 10.400
319 1HG PRO 45 1HG PRO 45 -12.863 -3.875 10.034
320 2HG PRO 45 2HG PRO 45 -13.546 -3.165 11.523
321 1HD PRO 45 1HD PRO 45 -13.633 -5.851 11.015
322 2HD PRO 45 2HD PRO 45 -14.982 -5.023 11.844
323 HA PRO 46 HA PRO 46 -14.520 -4.960 4.956
324 1HB PRO 46 1HB PRO 46 -15.498 -3.023 3.326
325 2HB PRO 46 2HB PRO 46 -16.532 -4.295 4.036
326 1HG PRO 46 1HG PRO 46 -16.156 -1.463 5.051
327 2HG PRO 46 2HG PRO 46 -17.686 -2.340 4.778
328 1HD PRO 46 1HD PRO 46 -16.491 -2.193 7.242
329 2HD PRO 46 2HD PRO 46 -17.396 -3.644 6.709
330 H GLN 47 H GLN 47 -12.335 -4.672 5.387
331 HA GLN 47 HA GLN 47 -11.153 -1.945 5.531
332 1HB GLN 47 1HB GLN 47 -10.286 -4.733 6.383
333 2HB GLN 47 2HB GLN 47 -9.240 -3.312 6.441
334 1HG GLN 47 1HG GLN 47 -10.597 -2.205 8.056
335 2HG GLN 47 2HG GLN 47 -11.912 -3.369 7.871
336 1HE2 GLN 47 1HE2 GLN 47 -11.474 -5.661 8.470
337 2HE2 GLN 47 2HE2 GLN 47 -10.362 -5.978 9.790
338 H CYS 48 H CYS 48 -9.527 -1.351 4.084
339 HA CYS 48 HA CYS 48 -9.148 -3.139 1.747
340 1HB CYS 48 1HB CYS 48 -9.745 -0.200 1.920
341 2HB CYS 48 2HB CYS 48 -9.348 -1.042 0.427
342 H ARG 49 H ARG 49 -7.299 -2.837 0.485
343 HA ARG 49 HA ARG 49 -5.058 -1.375 1.698
344 1HB ARG 49 1HB ARG 49 -3.829 -3.142 2.213
345 2HB ARG 49 2HB ARG 49 -5.369 -3.943 2.426
346 1HG ARG 49 1HG ARG 49 -3.473 -4.123 0.045
347 2HG ARG 49 2HG ARG 49 -3.723 -5.356 1.261
348 1HD ARG 49 1HD ARG 49 -6.138 -4.495 -0.335
349 2HD ARG 49 2HD ARG 49 -4.886 -5.411 -1.144
350 HE ARG 49 HE ARG 49 -5.351 -7.287 0.034
351 1HH1 ARG 49 1HH1 ARG 49 -7.221 -4.676 1.516
352 2HH1 ARG 49 2HH1 ARG 49 -8.537 -5.718 1.998
353 1HH2 ARG 49 1HH2 ARG 49 -7.145 -8.593 0.474
354 2HH2 ARG 49 2HH2 ARG 49 -8.516 -7.956 1.349
355 H CYS 50 H CYS 50 -3.192 -1.373 0.324
356 HA CYS 50 HA CYS 50 -3.746 -1.600 -2.606
357 1HB CYS 50 1HB CYS 50 -3.689 0.720 -2.138
358 2HB CYS 50 2HB CYS 50 -2.269 0.563 -1.097
359 H TYR 51 H TYR 51 -2.375 -2.987 -3.570
360 HA TYR 51 HA TYR 51 -0.125 -4.083 -1.946
361 1HB TYR 51 1HB TYR 51 -2.352 -5.341 -2.279
362 2HB TYR 51 2HB TYR 51 -1.879 -5.543 -3.950
363 HD1 TYR 51 HD1 TYR 51 1.179 -5.871 -2.131
364 HD2 TYR 51 HD2 TYR 51 -2.567 -7.889 -2.891
365 HE1 TYR 51 HE1 TYR 51 2.175 -8.004 -1.423
366 HE2 TYR 51 HE2 TYR 51 -1.549 -10.028 -2.177
367 HH TYR 51 HH TYR 51 0.322 -11.061 -1.316
368 H ASP 52 H ASP 52 0.224 -1.906 -3.757
369 HA ASP 52 HA ASP 52 0.852 -2.598 -6.397
370 1HB ASP 52 1HB ASP 52 1.906 -0.402 -6.498
371 2HB ASP 52 2HB ASP 52 0.408 -0.328 -5.566
372 HD2 ASP 52 HD2 ASP 52 4.002 0.180 -3.722
373 H ILE 53 H ILE 53 2.860 -2.803 -7.506
374 HA ILE 53 HA ILE 53 5.107 -3.949 -5.898
375 HB ILE 53 HB ILE 53 4.411 -4.392 -8.824
376 1HG1 ILE 53 1HG1 ILE 53 2.729 -5.497 -7.476
377 2HG1 ILE 53 2HG1 ILE 53 3.816 -6.671 -8.208
378 1HG2 ILE 53 1HG2 ILE 53 6.801 -4.588 -8.489
379 2HG2 ILE 53 2HG2 ILE 53 6.579 -5.524 -7.007
380 3HG2 ILE 53 3HG2 ILE 53 6.148 -6.227 -8.580
381 1HD1 ILE 53 1HD1 ILE 53 3.901 -5.753 -5.297
382 2HD1 ILE 53 2HD1 ILE 53 3.287 -7.293 -5.909
383 3HD1 ILE 53 3HD1 ILE 53 5.015 -6.925 -6.040
384 H THR 54 H THR 54 6.336 -2.240 -5.439
385 HA THR 54 HA THR 54 7.453 -0.650 -7.709
386 HB THR 54 HB THR 54 8.035 0.989 -5.790
387 HG1 THR 54 HG1 THR 54 7.580 -0.155 -3.976
388 1HG2 THR 54 1HG2 THR 54 5.797 2.005 -5.850
389 2HG2 THR 54 2HG2 THR 54 6.337 1.490 -7.457
390 3HG2 THR 54 3HG2 THR 54 5.134 0.525 -6.578
391 H ASP 55 H ASP 55 9.752 0.181 -6.755
392 HA ASP 55 HA ASP 55 11.223 -2.241 -5.792
393 1HB ASP 55 1HB ASP 55 11.587 -0.900 -8.150
394 2HB ASP 55 2HB ASP 55 12.710 -0.024 -7.110
395 HD2 ASP 55 HD2 ASP 55 14.568 -3.089 -6.462
396 H PHE 56 H PHE 56 9.800 0.310 -4.529
397 HA PHE 56 HA PHE 56 11.832 0.861 -2.466
398 1HB PHE 56 1HB PHE 56 11.224 3.317 -2.757
399 2HB PHE 56 2HB PHE 56 12.229 2.619 -4.003
400 HD1 PHE 56 HD1 PHE 56 11.373 2.333 -6.303
401 HD2 PHE 56 HD2 PHE 56 8.836 3.881 -3.176
402 HE1 PHE 56 HE1 PHE 56 9.658 2.939 -7.990
403 HE2 PHE 56 HE2 PHE 56 7.140 4.507 -4.871
404 HZ PHE 56 HZ PHE 56 7.538 4.026 -7.275
405 H CYS 57 H CYS 57 10.850 2.267 -0.821
406 HA CYS 57 HA CYS 57 8.002 1.572 -0.207
407 1HB CYS 57 1HB CYS 57 9.448 0.277 1.175
408 2HB CYS 57 2HB CYS 57 10.441 1.694 1.555
409 H TYR 58 H TYR 58 6.779 3.178 0.508
410 HA TYR 58 HA TYR 58 7.583 5.909 -0.069
411 1HB TYR 58 1HB TYR 58 4.968 4.719 0.947
412 2HB TYR 58 2HB TYR 58 5.196 6.339 0.327
413 HD1 TYR 58 HD1 TYR 58 5.464 6.773 -2.088
414 HD2 TYR 58 HD2 TYR 58 4.906 2.768 -0.586
415 HE1 TYR 58 HE1 TYR 58 4.772 6.016 -4.346
416 HE2 TYR 58 HE2 TYR 58 4.206 2.022 -2.829
417 HH TYR 58 HH TYR 58 3.768 2.645 -5.017
418 HA PRO 59 HA PRO 59 8.021 7.052 4.305
419 1HB PRO 59 1HB PRO 59 7.213 9.672 4.310
420 2HB PRO 59 2HB PRO 59 8.757 9.131 3.590
421 1HG PRO 59 1HG PRO 59 6.125 9.618 2.167
422 2HG PRO 59 2HG PRO 59 7.743 10.242 1.723
423 1HD PRO 59 1HD PRO 59 6.695 8.032 0.553
424 2HD PRO 59 2HD PRO 59 8.437 8.103 0.943
425 H SER 60 H SER 60 6.630 7.764 6.170
426 HA SER 60 HA SER 60 4.341 6.214 6.158
427 1HB SER 60 1HB SER 60 4.105 7.857 8.393
428 2HB SER 60 2HB SER 60 4.846 6.259 8.270
429 HG SER 60 HG SER 60 6.247 7.887 9.153
430 H CYS 61 H CYS 61 2.278 6.554 5.867
431 HA CYS 61 HA CYS 61 1.255 9.058 4.795
432 1HB CYS 61 1HB CYS 61 0.636 6.496 4.326
433 2HB CYS 61 2HB CYS 61 -0.574 6.794 5.558
434 H SER 62 H SER 62 -1.201 9.433 5.737
435 HA SER 62 HA SER 62 -1.026 10.187 8.580
436 1HB SER 62 1HB SER 62 -2.057 11.699 6.890
437 2HB SER 62 2HB SER 62 -3.289 10.463 6.553
438 HG SER 62 HG SER 62 -2.790 11.707 9.060