Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
627999 | 6cku RC | 30422 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 1 HT1 ASP 1 3.545 16.895 -2.621
2 H2 ASP 1 HT2 ASP 1 2.368 17.210 -3.795
3 H3 ASP 1 HT3 ASP 1 3.939 16.797 -4.264
4 HA ASP 1 HA ASP 1 2.374 14.948 -4.524
5 HB2 ASP 1 HB2 ASP 1 3.891 13.582 -2.634
6 HB3 ASP 1 HB1 ASP 1 4.337 13.872 -4.313
7 H VAL 2 HN VAL 2 2.170 12.915 -2.633
8 HA VAL 2 HA VAL 2 0.115 14.017 -0.835
9 HB VAL 2 HB VAL 2 0.300 11.121 -1.617
10 HG11 VAL 2 HG11 VAL 2 -2.340 12.177 -1.288
11 HG12 VAL 2 HG12 VAL 2 -1.349 12.613 0.104
12 HG13 VAL 2 HG13 VAL 2 -1.519 10.920 -0.362
13 HG21 VAL 2 HG21 VAL 2 -1.620 12.828 -3.072
14 HG22 VAL 2 HG22 VAL 2 -0.720 11.412 -3.614
15 HG23 VAL 2 HG23 VAL 2 0.073 12.985 -3.540
16 H GLN 3 HN GLN 3 0.571 14.022 1.260
17 HA GLN 3 HA GLN 3 2.879 12.638 2.277
18 HB2 GLN 3 HB2 GLN 3 0.840 14.492 3.471
19 HB3 GLN 3 HB1 GLN 3 1.981 13.633 4.495
20 HG2 GLN 3 HG2 GLN 3 3.780 14.618 2.936
21 HG3 GLN 3 HG1 GLN 3 2.511 15.736 2.439
22 HE21 GLN 3 HE21 GLN 3 4.627 16.870 3.494
23 HE22 GLN 3 HE22 GLN 3 4.344 17.400 5.114
24 H CYS 4 HN CYS 4 2.836 10.568 2.802
25 HA CYS 4 HA CYS 4 0.563 8.985 3.079
26 HB2 CYS 4 HB2 CYS 4 3.420 8.620 3.946
27 HB3 CYS 4 HB1 CYS 4 2.203 7.390 4.273
28 H GLY 5 HN GLY 5 2.302 10.882 5.440
29 HA2 GLY 5 HA2 GLY 5 0.653 11.549 7.283
30 HA3 GLY 5 HA1 GLY 5 0.552 9.819 7.564
31 H GLY 6 HN GLY 6 2.958 12.435 7.331
32 HA2 GLY 6 HA2 GLY 6 4.870 12.833 8.536
33 HA3 GLY 6 HA1 GLY 6 4.047 12.032 9.867
34 H GLY 7 HN GLY 7 5.797 11.294 6.858
35 HA2 GLY 7 HA2 GLY 7 7.814 9.780 7.877
36 HA3 GLY 7 HA1 GLY 7 6.476 8.647 7.769
37 H PHE 8 HN PHE 8 5.566 8.195 5.677
38 HA PHE 8 HA PHE 8 7.597 8.355 3.585
39 HB2 PHE 8 HB2 PHE 8 5.324 6.560 4.200
40 HB3 PHE 8 HB1 PHE 8 5.678 6.816 2.496
41 HD1 PHE 8 HD1 PHE 8 7.493 5.737 1.463
42 HD2 PHE 8 HD2 PHE 8 7.133 5.693 5.703
43 HE1 PHE 8 HE1 PHE 8 9.291 4.063 1.594
44 HE2 PHE 8 HE2 PHE 8 8.932 4.020 5.842
45 HZ PHE 8 HZ PHE 8 10.013 3.203 3.786
46 H SER 9 HN SER 9 6.339 8.212 1.297
47 HA SER 9 HA SER 9 4.161 10.038 0.997
48 HB2 SER 9 HB2 SER 9 5.959 11.377 -0.620
49 HB3 SER 9 HB1 SER 9 5.384 11.934 0.952
50 HG SER 9 HG SER 9 7.567 10.172 0.802
51 H CYS 10 HN CYS 10 3.405 10.149 -1.191
52 HA CYS 10 HA CYS 10 4.719 8.316 -3.066
53 HB2 CYS 10 HB2 CYS 10 1.973 8.099 -1.947
54 HB3 CYS 10 HB1 CYS 10 2.176 7.734 -3.657
55 H HIS 11 HN HIS 11 3.659 8.489 -5.289
56 HA HIS 11 HA HIS 11 3.623 11.295 -5.987
57 HB2 HIS 11 HB2 HIS 11 4.363 8.882 -7.284
58 HB3 HIS 11 HB1 HIS 11 3.099 9.635 -8.253
59 HD1 HIS 11 HD1 HIS 11 6.038 11.174 -6.381
60 HD2 HIS 11 HD2 HIS 11 4.395 10.998 -10.194
61 HE1 HIS 11 HE1 HIS 11 7.466 12.682 -7.798
62 HE2 HIS 11 HE2 HIS 11 6.418 12.608 -10.087
63 H ASP 12 HN ASP 12 2.065 12.035 -7.710
64 HA ASP 12 HA ASP 12 -0.537 12.053 -6.698
65 HB2 ASP 12 HB2 ASP 12 0.875 13.341 -8.779
66 HB3 ASP 12 HB1 ASP 12 -0.559 12.631 -9.516
67 H GLY 13 HN GLY 13 -2.274 10.793 -6.978
68 HA2 GLY 13 HA2 GLY 13 -3.694 9.321 -8.159
69 HA3 GLY 13 HA1 GLY 13 -2.351 8.914 -9.218
70 H GLU 14 HN GLU 14 -0.875 8.766 -6.402
71 HA GLU 14 HA GLU 14 -1.324 5.890 -6.167
72 HB2 GLU 14 HB2 GLU 14 0.710 7.493 -4.640
73 HB3 GLU 14 HB1 GLU 14 0.724 5.773 -4.990
74 HG2 GLU 14 HG2 GLU 14 0.948 7.887 -7.112
75 HG3 GLU 14 HG1 GLU 14 2.339 7.164 -6.305
76 H THR 15 HN THR 15 -1.090 5.045 -3.821
77 HA THR 15 HA THR 15 -2.640 6.704 -1.957
78 HB THR 15 HB THR 15 -3.252 3.775 -2.286
79 HG1 THR 15 HG1 THR 15 -3.674 4.846 -4.289
80 HG21 THR 15 HG21 THR 15 -5.429 4.527 -1.301
81 HG22 THR 15 HG22 THR 15 -4.718 6.127 -1.087
82 HG23 THR 15 HG23 THR 15 -4.040 4.740 -0.235
83 H CYS 16 HN CYS 16 -2.017 6.548 0.133
84 HA CYS 16 HA CYS 16 0.319 4.905 0.692
85 HB2 CYS 16 HB2 CYS 16 -1.032 7.101 2.269
86 HB3 CYS 16 HB1 CYS 16 0.393 6.224 2.822
87 H CYS 17 HN CYS 17 0.129 2.971 1.567
88 HA CYS 17 HA CYS 17 -2.200 2.402 3.282
89 HB2 CYS 17 HB2 CYS 17 -0.724 0.680 1.302
90 HB3 CYS 17 HB1 CYS 17 -1.678 -0.037 2.597
91 HA PRO 18 HA PRO 18 1.045 1.669 6.270
92 HB2 PRO 18 HB2 PRO 18 -0.475 1.719 8.457
93 HB3 PRO 18 HB1 PRO 18 -0.210 3.187 7.508
94 HG2 PRO 18 HG2 PRO 18 -2.597 1.400 7.609
95 HG3 PRO 18 HG1 PRO 18 -2.520 3.163 7.453
96 HD2 PRO 18 HD2 PRO 18 -2.875 1.332 5.356
97 HD3 PRO 18 HD1 PRO 18 -2.436 3.039 5.185
98 H THR 19 HN THR 19 0.957 -0.592 5.075
99 HA THR 19 HA THR 19 -0.443 -2.684 6.446
100 HB THR 19 HB THR 19 0.063 -2.933 4.078
101 HG1 THR 19 HG1 THR 19 0.297 -4.762 5.813
102 HG21 THR 19 HG21 THR 19 2.898 -3.531 4.358
103 HG22 THR 19 HG22 THR 19 2.522 -1.845 4.713
104 HG23 THR 19 HG23 THR 19 2.065 -2.541 3.158
105 H SER 20 HN SER 20 1.941 -0.853 7.539
106 HA SER 20 HA SER 20 3.033 -2.998 9.201
107 HB2 SER 20 HB2 SER 20 4.533 -1.408 7.260
108 HB3 SER 20 HB1 SER 20 5.208 -1.313 8.887
109 HG SER 20 HG SER 20 5.340 -3.563 8.916
110 H GLN 21 HN GLN 21 4.860 -1.377 10.608
111 HA GLN 21 HA GLN 21 2.987 0.392 12.027
112 HB2 GLN 21 HB2 GLN 21 5.211 -1.376 12.900
113 HB3 GLN 21 HB1 GLN 21 4.966 0.112 13.804
114 HG2 GLN 21 HG2 GLN 21 2.461 -1.231 13.375
115 HG3 GLN 21 HG1 GLN 21 3.632 -2.315 14.126
116 HE21 GLN 21 HE21 GLN 21 2.560 1.062 14.384
117 HE22 GLN 21 HE22 GLN 21 2.530 1.098 16.111
118 H THR 22 HN THR 22 6.088 0.228 10.452
119 HA THR 22 HA THR 22 6.348 3.140 10.772
120 HB THR 22 HB THR 22 7.963 2.069 12.285
121 HG1 THR 22 HG1 THR 22 9.895 3.031 11.198
122 HG21 THR 22 HG21 THR 22 8.220 0.184 10.255
123 HG22 THR 22 HG22 THR 22 9.180 0.280 11.731
124 HG23 THR 22 HG23 THR 22 9.757 1.048 10.252
125 H THR 23 HN THR 23 5.723 0.821 8.664
126 HA THR 23 HA THR 23 7.305 2.053 6.503
127 HB THR 23 HB THR 23 6.099 -0.660 6.170
128 HG1 THR 23 HG1 THR 23 7.900 -0.051 8.077
129 HG21 THR 23 HG21 THR 23 7.928 -0.980 4.652
130 HG22 THR 23 HG22 THR 23 8.714 0.497 5.208
131 HG23 THR 23 HG23 THR 23 7.203 0.590 4.304
132 H TRP 24 HN TRP 24 6.288 2.398 4.499
133 HA TRP 24 HA TRP 24 3.343 2.262 4.506
134 HB2 TRP 24 HB2 TRP 24 5.128 4.605 3.933
135 HB3 TRP 24 HB1 TRP 24 3.579 4.471 3.110
136 HD1 TRP 24 HD1 TRP 24 5.117 5.316 6.464
137 HE1 TRP 24 HE1 TRP 24 3.275 6.188 8.040
138 HE3 TRP 24 HE3 TRP 24 1.035 4.192 3.622
139 HZ2 TRP 24 HZ2 TRP 24 0.454 6.369 8.066
140 HZ3 TRP 24 HZ3 TRP 24 -1.200 4.742 4.487
141 HH2 TRP 24 HH2 TRP 24 -1.482 5.807 6.660
142 H GLY 25 HN GLY 25 2.434 1.591 2.609
143 HA2 GLY 25 HA2 GLY 25 4.308 1.013 0.403
144 HA3 GLY 25 HA1 GLY 25 2.887 0.050 0.773
145 H CYS 26 HN CYS 26 3.761 1.458 -1.703
146 HA CYS 26 HA CYS 26 1.683 3.477 -2.047
147 HB2 CYS 26 HB2 CYS 26 4.236 3.301 -3.027
148 HB3 CYS 26 HB1 CYS 26 3.291 2.716 -4.392
149 H CYS 27 HN CYS 27 -0.272 2.884 -2.685
150 HA CYS 27 HA CYS 27 -0.543 0.561 -4.476
151 HB2 CYS 27 HB2 CYS 27 -1.919 1.212 -1.924
152 HB3 CYS 27 HB1 CYS 27 -2.895 0.489 -3.198
153 HA PRO 28 HA PRO 28 -3.081 3.211 -6.964
154 HB2 PRO 28 HB2 PRO 28 -4.532 1.457 -8.356
155 HB3 PRO 28 HB1 PRO 28 -2.773 1.521 -8.526
156 HG2 PRO 28 HG2 PRO 28 -4.458 -0.401 -6.978
157 HG3 PRO 28 HG1 PRO 28 -3.013 -0.713 -7.955
158 HD2 PRO 28 HD2 PRO 28 -3.044 -0.454 -5.194
159 HD3 PRO 28 HD1 PRO 28 -1.612 -0.247 -6.219
160 H SER 29 HN SER 29 -5.370 3.712 -7.583
161 HA SER 29 HA SER 29 -7.509 4.261 -7.055
162 HB2 SER 29 HB2 SER 29 -7.269 1.497 -6.370
163 HB3 SER 29 HB1 SER 29 -8.273 2.286 -5.155
164 HG SER 29 HG SER 29 -8.820 1.718 -7.765
165 HA PRO 30 HA PRO 30 -6.690 6.717 -3.420
166 HB2 PRO 30 HB2 PRO 30 -9.140 7.975 -3.381
167 HB3 PRO 30 HB1 PRO 30 -7.770 8.478 -4.377
168 HG2 PRO 30 HG2 PRO 30 -10.149 6.824 -5.121
169 HG3 PRO 30 HG1 PRO 30 -9.350 8.114 -6.039
170 HD2 PRO 30 HD2 PRO 30 -8.934 5.530 -6.613
171 HD3 PRO 30 HD1 PRO 30 -7.623 6.723 -6.728
172 H LYS 31 HN LYS 31 -10.054 5.504 -3.645
173 HA LYS 31 HA LYS 31 -10.114 5.118 -0.773
174 HB2 LYS 31 HB2 LYS 31 -12.272 4.415 -2.760
175 HB3 LYS 31 HB1 LYS 31 -12.450 4.672 -1.029
176 HG2 LYS 31 HG2 LYS 31 -11.309 6.980 -2.357
177 HG3 LYS 31 HG1 LYS 31 -12.878 6.529 -3.026
178 HD2 LYS 31 HD2 LYS 31 -12.863 6.410 -0.130
179 HD3 LYS 31 HD1 LYS 31 -12.418 8.011 -0.724
180 HE2 LYS 31 HE2 LYS 31 -14.472 8.411 -1.582
181 HE3 LYS 31 HE1 LYS 31 -14.719 6.730 -2.052
182 HZ1 LYS 31 HZ1 LYS 31 -15.896 7.976 0.053
183 HZ2 LYS 31 HZ2 LYS 31 -14.652 7.099 0.791
184 HZ3 LYS 31 HZ3 LYS 31 -15.796 6.301 -0.167
185 H ALA 32 HN ALA 32 -8.426 3.421 -2.618
186 HA ALA 32 HA ALA 32 -9.442 0.827 -2.840
187 HB1 ALA 32 HB1 ALA 32 -6.560 1.480 -2.276
188 HB2 ALA 32 HB2 ALA 32 -7.316 1.742 -3.847
189 HB3 ALA 32 HB3 ALA 32 -7.212 0.113 -3.179
190 H VAL 33 HN VAL 33 -8.803 -1.089 -1.571
191 HA VAL 33 HA VAL 33 -8.693 -0.491 1.311
192 HB VAL 33 HB VAL 33 -9.902 -2.895 -0.073
193 HG11 VAL 33 HG11 VAL 33 -10.034 -3.959 1.890
194 HG12 VAL 33 HG12 VAL 33 -10.493 -2.493 2.756
195 HG13 VAL 33 HG13 VAL 33 -8.792 -2.832 2.435
196 HG21 VAL 33 HG21 VAL 33 -11.615 -1.462 -0.332
197 HG22 VAL 33 HG22 VAL 33 -10.987 -0.336 0.872
198 HG23 VAL 33 HG23 VAL 33 -11.890 -1.761 1.384
199 H CYS 34 HN CYS 34 -6.684 -0.797 2.024
200 HA CYS 34 HA CYS 34 -4.810 -2.492 0.716
201 HB2 CYS 34 HB2 CYS 34 -4.315 -1.563 3.502
202 HB3 CYS 34 HB1 CYS 34 -3.237 -1.575 2.111
203 H CYS 35 HN CYS 35 -4.880 -4.634 0.807
204 HA CYS 35 HA CYS 35 -6.210 -6.150 2.767
205 HB2 CYS 35 HB2 CYS 35 -5.153 -6.723 0.332
206 HB3 CYS 35 HB1 CYS 35 -3.933 -7.436 1.381
207 H ASP 36 HN ASP 36 -5.677 -6.398 4.795
208 HA ASP 36 HA ASP 36 -2.915 -5.934 5.640
209 HB2 ASP 36 HB2 ASP 36 -4.138 -6.004 7.972
210 HB3 ASP 36 HB1 ASP 36 -4.214 -4.571 6.952
211 H ASP 37 HN ASP 37 -4.953 -8.594 5.042
212 HA ASP 37 HA ASP 37 -4.354 -10.314 7.146
213 HB2 ASP 37 HB2 ASP 37 -5.988 -10.760 5.293
214 HB3 ASP 37 HB1 ASP 37 -4.622 -11.081 4.230
215 H MET 38 HN MET 38 -2.590 -9.553 4.205
216 HA MET 38 HA MET 38 -0.173 -10.702 5.405
217 HB2 MET 38 HB2 MET 38 -1.068 -11.048 2.535
218 HB3 MET 38 HB1 MET 38 0.513 -11.508 3.153
219 HG2 MET 38 HG2 MET 38 -1.636 -12.647 4.721
220 HG3 MET 38 HG1 MET 38 -1.741 -13.098 3.021
221 HE1 MET 38 HE1 MET 38 -0.148 -15.745 2.494
222 HE2 MET 38 HE2 MET 38 1.286 -14.802 2.088
223 HE3 MET 38 HE3 MET 38 -0.319 -14.162 1.737
224 H GLN 39 HN GLN 39 -0.354 -9.419 2.152
225 HA GLN 39 HA GLN 39 0.395 -6.755 2.941
226 HB2 GLN 39 HB2 GLN 39 2.520 -8.248 2.963
227 HB3 GLN 39 HB1 GLN 39 2.373 -8.216 1.211
228 HG2 GLN 39 HG2 GLN 39 2.153 -5.558 2.263
229 HG3 GLN 39 HG1 GLN 39 3.617 -6.335 2.865
230 HE21 GLN 39 HE21 GLN 39 2.963 -4.192 0.794
231 HE22 GLN 39 HE22 GLN 39 3.888 -4.663 -0.587
232 H HIS 40 HN HIS 40 -1.603 -6.385 1.746
233 HA HIS 40 HA HIS 40 -1.036 -6.017 -1.082
234 HB2 HIS 40 HB2 HIS 40 -2.140 -8.409 -0.425
235 HB3 HIS 40 HB1 HIS 40 -3.581 -7.450 -0.743
236 HD1 HIS 40 HD1 HIS 40 -4.085 -6.850 -3.160
237 HD2 HIS 40 HD2 HIS 40 -0.429 -8.764 -2.674
238 HE1 HIS 40 HE1 HIS 40 -3.307 -7.413 -5.484
239 HE2 HIS 40 HE2 HIS 40 -1.052 -8.492 -5.169
240 H CYS 41 HN CYS 41 -3.354 -5.506 -2.176
241 HA CYS 41 HA CYS 41 -5.141 -3.900 -0.654
242 HB2 CYS 41 HB2 CYS 41 -4.581 -1.731 -1.659
243 HB3 CYS 41 HB1 CYS 41 -3.239 -2.348 -0.701
244 H CYS 42 HN CYS 42 -6.891 -3.097 -1.971
245 HA CYS 42 HA CYS 42 -6.877 -4.025 -4.752
246 HB2 CYS 42 HB2 CYS 42 -9.016 -4.669 -2.715
247 HB3 CYS 42 HB1 CYS 42 -9.161 -4.962 -4.446
248 HA PRO 43 HA PRO 43 -8.699 -0.190 -5.847
249 HB2 PRO 43 HB2 PRO 43 -10.623 -1.771 -7.483
250 HB3 PRO 43 HB1 PRO 43 -9.569 -0.433 -7.959
251 HG2 PRO 43 HG2 PRO 43 -8.932 -2.907 -8.640
252 HG3 PRO 43 HG1 PRO 43 -7.680 -1.789 -8.060
253 HD2 PRO 43 HD2 PRO 43 -9.053 -4.015 -6.596
254 HD3 PRO 43 HD1 PRO 43 -7.337 -3.551 -6.587
255 H ALA 44 HN ALA 44 -10.148 1.113 -5.024
256 HA ALA 44 HA ALA 44 -11.862 0.593 -3.007
257 HB1 ALA 44 HB1 ALA 44 -12.906 2.620 -4.864
258 HB2 ALA 44 HB2 ALA 44 -11.216 2.818 -4.399
259 HB3 ALA 44 HB3 ALA 44 -12.470 2.754 -3.160
260 H GLY 45 HN GLY 45 -13.490 -0.783 -2.829
261 HA2 GLY 45 HA2 GLY 45 -15.876 -1.044 -3.466
262 HA3 GLY 45 HA1 GLY 45 -15.320 -1.063 -5.131
263 H TYR 46 HN TYR 46 -12.934 -2.743 -3.827
264 HA TYR 46 HA TYR 46 -14.396 -5.281 -4.127
265 HB2 TYR 46 HB2 TYR 46 -11.455 -4.684 -4.506
266 HB3 TYR 46 HB1 TYR 46 -12.192 -6.273 -4.673
267 HD1 TYR 46 HD1 TYR 46 -10.759 -4.007 -6.603
268 HD2 TYR 46 HD2 TYR 46 -14.608 -5.772 -6.192
269 HE1 TYR 46 HE1 TYR 46 -11.221 -3.538 -8.972
270 HE2 TYR 46 HE2 TYR 46 -15.080 -5.308 -8.560
271 HH TYR 46 HH TYR 46 -12.619 -4.151 -10.732
272 H LYS 47 HN LYS 47 -13.411 -7.143 -2.899
273 HA LYS 47 HA LYS 47 -12.448 -6.308 -0.248
274 HB2 LYS 47 HB2 LYS 47 -14.865 -6.786 -0.127
275 HB3 LYS 47 HB1 LYS 47 -14.577 -8.389 -0.789
276 HG2 LYS 47 HG2 LYS 47 -12.879 -8.157 1.428
277 HG3 LYS 47 HG1 LYS 47 -14.436 -7.491 1.927
278 HD2 LYS 47 HD2 LYS 47 -14.248 -10.117 0.484
279 HD3 LYS 47 HD1 LYS 47 -14.039 -10.013 2.233
280 HE2 LYS 47 HE2 LYS 47 -16.239 -9.023 2.466
281 HE3 LYS 47 HE1 LYS 47 -16.446 -9.013 0.715
282 HZ1 LYS 47 HZ1 LYS 47 -15.820 -11.614 1.401
283 HZ2 LYS 47 HZ2 LYS 47 -17.325 -11.022 0.907
284 HZ3 LYS 47 HZ3 LYS 47 -16.949 -11.104 2.554
285 H CYS 48 HN CYS 48 -11.194 -7.888 0.876
286 HA CYS 48 HA CYS 48 -9.690 -9.590 -0.921
287 HB2 CYS 48 HB2 CYS 48 -9.332 -8.532 1.828
288 HB3 CYS 48 HB1 CYS 48 -8.558 -10.072 1.469
289 H GLY 49 HN GLY 49 -10.039 -11.690 -1.222
290 HA2 GLY 49 HA2 GLY 49 -11.759 -13.097 0.718
291 HA3 GLY 49 HA1 GLY 49 -11.629 -13.502 -0.986
292 HA PRO 50 HA PRO 50 -8.676 -16.106 1.652
293 HB2 PRO 50 HB2 PRO 50 -10.383 -18.401 1.105
294 HB3 PRO 50 HB1 PRO 50 -9.853 -17.756 2.659
295 HG2 PRO 50 HG2 PRO 50 -12.425 -17.618 1.804
296 HG3 PRO 50 HG1 PRO 50 -11.697 -16.411 2.879
297 HD2 PRO 50 HD2 PRO 50 -12.178 -16.277 -0.075
298 HD3 PRO 50 HD1 PRO 50 -12.400 -15.020 1.161
299 H GLY 51 HN GLY 51 -9.950 -16.000 -1.460
300 HA2 GLY 51 HA2 GLY 51 -8.445 -18.248 -2.508
301 HA3 GLY 51 HA1 GLY 51 -9.431 -17.129 -3.436
302 H GLY 52 HN GLY 52 -7.263 -15.621 -1.299
303 HA2 GLY 52 HA2 GLY 52 -5.201 -14.618 -1.584
304 HA3 GLY 52 HA1 GLY 52 -4.974 -15.590 -3.030
305 H THR 53 HN THR 53 -7.741 -14.444 -3.858
306 HA THR 53 HA THR 53 -6.651 -11.946 -4.972
307 HB THR 53 HB THR 53 -8.353 -12.232 -6.781
308 HG1 THR 53 HG1 THR 53 -9.512 -13.869 -5.280
309 HG21 THR 53 HG21 THR 53 -6.768 -13.249 -7.985
310 HG22 THR 53 HG22 THR 53 -6.946 -14.750 -7.076
311 HG23 THR 53 HG23 THR 53 -5.885 -13.475 -6.476
312 H CYS 54 HN CYS 54 -8.723 -10.569 -5.791
313 HA CYS 54 HA CYS 54 -10.334 -10.166 -3.364
314 HB2 CYS 54 HB2 CYS 54 -8.955 -8.336 -5.186
315 HB3 CYS 54 HB1 CYS 54 -10.612 -7.858 -4.833
316 H ILE 55 HN ILE 55 -12.526 -9.690 -3.525
317 HA ILE 55 HA ILE 55 -13.787 -10.455 -6.076
318 HB ILE 55 HB ILE 55 -15.701 -11.271 -4.732
319 HG12 ILE 55 HG12 ILE 55 -13.879 -10.965 -2.339
320 HG13 ILE 55 HG11 ILE 55 -15.144 -9.808 -2.739
321 HG21 ILE 55 HG21 ILE 55 -14.795 -13.314 -4.697
322 HG22 ILE 55 HG22 ILE 55 -13.562 -12.843 -3.528
323 HG23 ILE 55 HG23 ILE 55 -13.316 -12.526 -5.245
324 HD11 ILE 55 HD11 ILE 55 -16.267 -11.099 -1.255
325 HD12 ILE 55 HD12 ILE 55 -15.353 -12.554 -1.655
326 HD13 ILE 55 HD13 ILE 55 -16.632 -11.992 -2.732
327 H SER 56 HN SER 56 -16.324 -9.754 -5.752
328 HA SER 56 HA SER 56 -16.387 -6.978 -4.817
329 HB2 SER 56 HB2 SER 56 -16.996 -6.064 -6.832
330 HB3 SER 56 HB1 SER 56 -15.994 -7.387 -7.427
331 HG SER 56 HG SER 56 -18.572 -6.939 -7.887
Start of MODEL 2
1 H1 ASP 1 HT1 ASP 1 4.843 16.966 -2.254
2 H2 ASP 1 HT2 ASP 1 4.198 17.371 -3.765
3 H3 ASP 1 HT3 ASP 1 5.684 16.567 -3.667
4 HA ASP 1 HA ASP 1 3.504 15.276 -4.228
5 HB2 ASP 1 HB2 ASP 1 5.960 14.599 -2.717
6 HB3 ASP 1 HB1 ASP 1 4.671 13.401 -2.654
7 H VAL 2 HN VAL 2 2.788 13.272 -2.553
8 HA VAL 2 HA VAL 2 1.154 14.682 -0.562
9 HB VAL 2 HB VAL 2 0.688 11.833 -1.375
10 HG11 VAL 2 HG11 VAL 2 -0.809 12.288 0.272
11 HG12 VAL 2 HG12 VAL 2 -1.735 12.908 -1.096
12 HG13 VAL 2 HG13 VAL 2 -0.829 14.018 -0.069
13 HG21 VAL 2 HG21 VAL 2 -1.029 13.156 -2.991
14 HG22 VAL 2 HG22 VAL 2 0.535 12.530 -3.514
15 HG23 VAL 2 HG23 VAL 2 0.372 14.226 -3.062
16 H GLN 3 HN GLN 3 1.460 14.371 1.557
17 HA GLN 3 HA GLN 3 3.552 12.556 2.414
18 HB2 GLN 3 HB2 GLN 3 2.405 13.671 4.701
19 HB3 GLN 3 HB1 GLN 3 3.875 14.196 3.895
20 HG2 GLN 3 HG2 GLN 3 1.274 15.215 2.889
21 HG3 GLN 3 HG1 GLN 3 1.903 15.857 4.406
22 HE21 GLN 3 HE21 GLN 3 2.161 15.841 1.000
23 HE22 GLN 3 HE22 GLN 3 3.458 16.975 0.862
24 H CYS 4 HN CYS 4 3.145 10.520 2.874
25 HA CYS 4 HA CYS 4 0.654 9.332 3.031
26 HB2 CYS 4 HB2 CYS 4 3.336 8.465 4.100
27 HB3 CYS 4 HB1 CYS 4 1.908 7.438 4.188
28 H GLY 5 HN GLY 5 2.746 9.172 5.874
29 HA2 GLY 5 HA2 GLY 5 0.833 10.518 7.561
30 HA3 GLY 5 HA1 GLY 5 0.860 8.774 7.782
31 H GLY 6 HN GLY 6 3.091 7.826 8.166
32 HA2 GLY 6 HA2 GLY 6 4.239 9.144 10.409
33 HA3 GLY 6 HA1 GLY 6 4.835 7.674 9.651
34 H GLY 7 HN GLY 7 5.878 8.106 7.408
35 HA2 GLY 7 HA2 GLY 7 7.196 10.689 7.227
36 HA3 GLY 7 HA1 GLY 7 8.244 9.337 7.619
37 H PHE 8 HN PHE 8 5.755 8.222 5.659
38 HA PHE 8 HA PHE 8 7.574 8.173 3.380
39 HB2 PHE 8 HB2 PHE 8 5.179 6.603 4.208
40 HB3 PHE 8 HB1 PHE 8 5.548 6.703 2.489
41 HD1 PHE 8 HD1 PHE 8 6.820 5.016 1.616
42 HD2 PHE 8 HD2 PHE 8 7.362 6.088 5.699
43 HE1 PHE 8 HE1 PHE 8 8.475 3.215 1.865
44 HE2 PHE 8 HE2 PHE 8 9.020 4.290 5.955
45 HZ PHE 8 HZ PHE 8 9.580 2.849 4.037
46 H SER 9 HN SER 9 6.166 8.116 1.192
47 HA SER 9 HA SER 9 4.065 10.042 1.028
48 HB2 SER 9 HB2 SER 9 5.561 11.522 -0.558
49 HB3 SER 9 HB1 SER 9 5.582 11.787 1.186
50 HG SER 9 HG SER 9 7.642 11.335 -0.284
51 H CYS 10 HN CYS 10 3.246 10.286 -1.139
52 HA CYS 10 HA CYS 10 4.367 8.440 -3.115
53 HB2 CYS 10 HB2 CYS 10 1.655 8.328 -1.884
54 HB3 CYS 10 HB1 CYS 10 1.804 7.952 -3.596
55 H HIS 11 HN HIS 11 2.982 8.688 -5.232
56 HA HIS 11 HA HIS 11 3.153 11.490 -5.926
57 HB2 HIS 11 HB2 HIS 11 2.307 9.279 -7.784
58 HB3 HIS 11 HB1 HIS 11 3.096 10.804 -8.181
59 HD1 HIS 11 HD1 HIS 11 3.871 7.419 -8.171
60 HD2 HIS 11 HD2 HIS 11 5.813 10.756 -6.635
61 HE1 HIS 11 HE1 HIS 11 6.278 6.738 -7.915
62 HE2 HIS 11 HE2 HIS 11 7.414 8.742 -6.895
63 H ASP 12 HN ASP 12 1.474 12.495 -7.306
64 HA ASP 12 HA ASP 12 -0.981 12.643 -5.987
65 HB2 ASP 12 HB2 ASP 12 0.056 13.622 -8.611
66 HB3 ASP 12 HB1 ASP 12 -1.679 13.690 -8.325
67 H GLY 13 HN GLY 13 -2.869 11.579 -6.168
68 HA2 GLY 13 HA2 GLY 13 -4.526 10.303 -7.253
69 HA3 GLY 13 HA1 GLY 13 -3.356 9.879 -8.495
70 H GLU 14 HN GLU 14 -1.597 9.404 -5.879
71 HA GLU 14 HA GLU 14 -2.227 6.553 -5.797
72 HB2 GLU 14 HB2 GLU 14 0.067 7.988 -4.467
73 HB3 GLU 14 HB1 GLU 14 -0.080 6.261 -4.754
74 HG2 GLU 14 HG2 GLU 14 -0.030 8.221 -7.017
75 HG3 GLU 14 HG1 GLU 14 1.456 7.629 -6.272
76 H THR 15 HN THR 15 -1.959 5.475 -3.594
77 HA THR 15 HA THR 15 -3.122 7.136 -1.461
78 HB THR 15 HB THR 15 -4.011 4.326 -2.140
79 HG1 THR 15 HG1 THR 15 -6.024 5.490 -2.599
80 HG21 THR 15 HG21 THR 15 -5.587 4.525 -0.375
81 HG22 THR 15 HG22 THR 15 -5.223 6.236 -0.149
82 HG23 THR 15 HG23 THR 15 -4.032 5.015 0.296
83 H CYS 16 HN CYS 16 -2.227 6.871 0.501
84 HA CYS 16 HA CYS 16 -0.037 4.961 0.739
85 HB2 CYS 16 HB2 CYS 16 -0.902 7.236 2.534
86 HB3 CYS 16 HB1 CYS 16 0.493 6.201 2.835
87 H CYS 17 HN CYS 17 -0.272 3.078 1.725
88 HA CYS 17 HA CYS 17 -2.439 2.787 3.699
89 HB2 CYS 17 HB2 CYS 17 -1.687 1.039 1.393
90 HB3 CYS 17 HB1 CYS 17 -2.354 0.296 2.843
91 HA PRO 18 HA PRO 18 1.058 1.442 6.148
92 HB2 PRO 18 HB2 PRO 18 -0.157 1.430 8.528
93 HB3 PRO 18 HB1 PRO 18 0.194 2.950 7.692
94 HG2 PRO 18 HG2 PRO 18 -2.385 1.442 7.878
95 HG3 PRO 18 HG1 PRO 18 -2.097 3.186 8.005
96 HD2 PRO 18 HD2 PRO 18 -2.972 1.912 5.721
97 HD3 PRO 18 HD1 PRO 18 -2.124 3.471 5.738
98 H THR 19 HN THR 19 1.006 -0.655 5.031
99 HA THR 19 HA THR 19 -0.643 -2.740 6.196
100 HB THR 19 HB THR 19 0.078 -4.152 4.469
101 HG1 THR 19 HG1 THR 19 1.962 -3.547 3.171
102 HG21 THR 19 HG21 THR 19 0.409 -2.156 2.539
103 HG22 THR 19 HG22 THR 19 -0.600 -1.430 3.792
104 HG23 THR 19 HG23 THR 19 -1.100 -2.934 3.018
105 H SER 20 HN SER 20 2.030 -1.251 7.227
106 HA SER 20 HA SER 20 2.898 -3.580 8.741
107 HB2 SER 20 HB2 SER 20 4.345 -3.298 6.627
108 HB3 SER 20 HB1 SER 20 4.991 -1.863 7.420
109 HG SER 20 HG SER 20 6.141 -3.923 7.767
110 H GLN 21 HN GLN 21 4.986 -2.588 10.112
111 HA GLN 21 HA GLN 21 3.747 -0.818 11.944
112 HB2 GLN 21 HB2 GLN 21 6.016 -2.498 11.911
113 HB3 GLN 21 HB1 GLN 21 6.596 -0.884 12.302
114 HG2 GLN 21 HG2 GLN 21 4.323 -2.236 13.733
115 HG3 GLN 21 HG1 GLN 21 6.003 -2.303 14.265
116 HE21 GLN 21 HE21 GLN 21 6.935 0.158 13.967
117 HE22 GLN 21 HE22 GLN 21 6.037 1.298 14.904
118 H THR 22 HN THR 22 6.920 -0.260 10.432
119 HA THR 22 HA THR 22 6.211 2.588 10.229
120 HB THR 22 HB THR 22 8.133 2.113 11.686
121 HG1 THR 22 HG1 THR 22 7.995 4.013 10.166
122 HG21 THR 22 HG21 THR 22 10.158 1.157 10.882
123 HG22 THR 22 HG22 THR 22 9.576 1.160 9.217
124 HG23 THR 22 HG23 THR 22 8.859 0.066 10.399
125 H THR 23 HN THR 23 5.641 0.400 8.261
126 HA THR 23 HA THR 23 7.175 1.443 5.972
127 HB THR 23 HB THR 23 5.553 -1.045 5.714
128 HG1 THR 23 HG1 THR 23 7.605 -2.130 6.456
129 HG21 THR 23 HG21 THR 23 6.623 -1.020 3.759
130 HG22 THR 23 HG22 THR 23 8.130 -1.303 4.629
131 HG23 THR 23 HG23 THR 23 7.615 0.345 4.270
132 H TRP 24 HN TRP 24 5.986 1.655 3.928
133 HA TRP 24 HA TRP 24 3.099 2.028 4.236
134 HB2 TRP 24 HB2 TRP 24 5.098 4.141 3.516
135 HB3 TRP 24 HB1 TRP 24 3.466 4.219 2.862
136 HD1 TRP 24 HD1 TRP 24 5.428 4.765 6.051
137 HE1 TRP 24 HE1 TRP 24 3.873 5.767 7.841
138 HE3 TRP 24 HE3 TRP 24 0.977 4.224 3.631
139 HZ2 TRP 24 HZ2 TRP 24 1.112 6.260 8.176
140 HZ3 TRP 24 HZ3 TRP 24 -1.079 4.980 4.747
141 HH2 TRP 24 HH2 TRP 24 -1.009 5.976 6.970
142 H GLY 25 HN GLY 25 1.975 1.318 2.546
143 HA2 GLY 25 HA2 GLY 25 3.466 0.579 0.119
144 HA3 GLY 25 HA1 GLY 25 1.945 -0.134 0.634
145 H CYS 26 HN CYS 26 2.917 1.313 -1.862
146 HA CYS 26 HA CYS 26 0.995 3.520 -1.933
147 HB2 CYS 26 HB2 CYS 26 3.520 3.498 -2.804
148 HB3 CYS 26 HB1 CYS 26 2.734 2.914 -4.267
149 H CYS 27 HN CYS 27 -0.944 3.231 -2.768
150 HA CYS 27 HA CYS 27 -1.358 1.022 -4.670
151 HB2 CYS 27 HB2 CYS 27 -2.616 1.367 -2.289
152 HB3 CYS 27 HB1 CYS 27 -3.717 2.229 -3.357
153 HA PRO 28 HA PRO 28 -2.275 4.150 -7.677
154 HB2 PRO 28 HB2 PRO 28 -3.388 2.608 -9.588
155 HB3 PRO 28 HB1 PRO 28 -1.658 2.560 -9.226
156 HG2 PRO 28 HG2 PRO 28 -3.831 0.698 -8.342
157 HG3 PRO 28 HG1 PRO 28 -2.204 0.316 -8.937
158 HD2 PRO 28 HD2 PRO 28 -2.850 0.336 -6.294
159 HD3 PRO 28 HD1 PRO 28 -1.227 0.724 -6.897
160 H SER 29 HN SER 29 -4.723 2.155 -6.242
161 HA SER 29 HA SER 29 -6.887 3.701 -7.441
162 HB2 SER 29 HB2 SER 29 -6.636 1.064 -6.342
163 HB3 SER 29 HB1 SER 29 -7.896 1.933 -5.467
164 HG SER 29 HG SER 29 -7.760 1.857 -8.294
165 HA PRO 30 HA PRO 30 -7.160 6.510 -4.032
166 HB2 PRO 30 HB2 PRO 30 -9.749 7.300 -4.312
167 HB3 PRO 30 HB1 PRO 30 -8.445 7.859 -5.364
168 HG2 PRO 30 HG2 PRO 30 -10.485 5.728 -5.842
169 HG3 PRO 30 HG1 PRO 30 -9.866 6.958 -6.959
170 HD2 PRO 30 HD2 PRO 30 -9.020 4.381 -6.996
171 HD3 PRO 30 HD1 PRO 30 -7.976 5.742 -7.451
172 H LYS 31 HN LYS 31 -10.408 5.091 -4.232
173 HA LYS 31 HA LYS 31 -10.540 4.787 -1.390
174 HB2 LYS 31 HB2 LYS 31 -12.499 3.476 -3.233
175 HB3 LYS 31 HB1 LYS 31 -12.776 4.237 -1.674
176 HG2 LYS 31 HG2 LYS 31 -13.561 5.970 -2.818
177 HG3 LYS 31 HG1 LYS 31 -11.883 6.320 -3.237
178 HD2 LYS 31 HD2 LYS 31 -12.285 5.884 -5.381
179 HD3 LYS 31 HD1 LYS 31 -12.902 4.282 -4.973
180 HE2 LYS 31 HE2 LYS 31 -14.968 5.908 -4.216
181 HE3 LYS 31 HE1 LYS 31 -14.339 6.744 -5.636
182 HZ1 LYS 31 HZ1 LYS 31 -15.890 4.377 -5.502
183 HZ2 LYS 31 HZ2 LYS 31 -14.433 4.066 -6.303
184 HZ3 LYS 31 HZ3 LYS 31 -15.458 5.293 -6.857
185 H ALA 32 HN ALA 32 -8.465 3.211 -2.829
186 HA ALA 32 HA ALA 32 -9.187 0.469 -2.834
187 HB1 ALA 32 HB1 ALA 32 -6.559 1.918 -2.779
188 HB2 ALA 32 HB2 ALA 32 -7.289 0.993 -4.091
189 HB3 ALA 32 HB3 ALA 32 -6.644 0.159 -2.677
190 H VAL 33 HN VAL 33 -9.215 -1.023 -1.235
191 HA VAL 33 HA VAL 33 -8.960 -0.084 1.496
192 HB VAL 33 HB VAL 33 -9.620 -2.872 0.538
193 HG11 VAL 33 HG11 VAL 33 -10.696 -1.868 3.078
194 HG12 VAL 33 HG12 VAL 33 -8.945 -2.081 3.043
195 HG13 VAL 33 HG13 VAL 33 -10.007 -3.441 2.677
196 HG21 VAL 33 HG21 VAL 33 -11.857 -2.331 0.425
197 HG22 VAL 33 HG22 VAL 33 -11.115 -0.860 -0.203
198 HG23 VAL 33 HG23 VAL 33 -11.679 -0.920 1.466
199 H CYS 34 HN CYS 34 -7.249 -0.393 2.803
200 HA CYS 34 HA CYS 34 -4.883 -1.612 1.738
201 HB2 CYS 34 HB2 CYS 34 -5.163 -0.814 4.612
202 HB3 CYS 34 HB1 CYS 34 -3.750 -0.733 3.570
203 H CYS 35 HN CYS 35 -5.361 -3.804 1.455
204 HA CYS 35 HA CYS 35 -6.482 -5.545 3.301
205 HB2 CYS 35 HB2 CYS 35 -5.641 -5.901 0.821
206 HB3 CYS 35 HB1 CYS 35 -4.183 -6.473 1.623
207 H ASP 36 HN ASP 36 -5.900 -5.659 5.356
208 HA ASP 36 HA ASP 36 -3.087 -5.449 6.095
209 HB2 ASP 36 HB2 ASP 36 -3.816 -4.983 8.308
210 HB3 ASP 36 HB1 ASP 36 -4.870 -4.072 7.231
211 H ASP 37 HN ASP 37 -5.387 -7.923 5.568
212 HA ASP 37 HA ASP 37 -4.813 -9.768 7.556
213 HB2 ASP 37 HB2 ASP 37 -6.354 -9.822 5.335
214 HB3 ASP 37 HB1 ASP 37 -5.015 -10.828 4.791
215 H MET 38 HN MET 38 -3.082 -8.971 4.615
216 HA MET 38 HA MET 38 -0.767 -10.491 5.608
217 HB2 MET 38 HB2 MET 38 -1.427 -10.012 2.695
218 HB3 MET 38 HB1 MET 38 -0.134 -11.015 3.340
219 HG2 MET 38 HG2 MET 38 -1.615 -12.672 4.053
220 HG3 MET 38 HG1 MET 38 -3.011 -11.603 3.926
221 HE1 MET 38 HE1 MET 38 -3.778 -11.436 0.193
222 HE2 MET 38 HE2 MET 38 -3.369 -10.340 1.513
223 HE3 MET 38 HE3 MET 38 -4.583 -11.596 1.754
224 H GLN 39 HN GLN 39 -0.508 -8.632 2.702
225 HA GLN 39 HA GLN 39 0.181 -6.175 3.991
226 HB2 GLN 39 HB2 GLN 39 2.295 -8.075 3.134
227 HB3 GLN 39 HB1 GLN 39 2.531 -6.391 2.691
228 HG2 GLN 39 HG2 GLN 39 2.280 -5.758 5.056
229 HG3 GLN 39 HG1 GLN 39 2.124 -7.464 5.473
230 HE21 GLN 39 HE21 GLN 39 3.917 -8.741 5.545
231 HE22 GLN 39 HE22 GLN 39 5.526 -8.137 5.375
232 H HIS 40 HN HIS 40 -1.601 -5.619 2.465
233 HA HIS 40 HA HIS 40 -0.541 -4.607 0.014
234 HB2 HIS 40 HB2 HIS 40 -1.209 -7.286 -0.120
235 HB3 HIS 40 HB1 HIS 40 -2.622 -6.481 -0.793
236 HD1 HIS 40 HD1 HIS 40 -2.440 -5.653 -3.150
237 HD2 HIS 40 HD2 HIS 40 1.249 -6.674 -1.536
238 HE1 HIS 40 HE1 HIS 40 -0.813 -5.527 -5.062
239 HE2 HIS 40 HE2 HIS 40 1.389 -6.265 -4.085
240 H CYS 41 HN CYS 41 -2.608 -4.307 -1.589
241 HA CYS 41 HA CYS 41 -4.843 -3.225 -0.038
242 HB2 CYS 41 HB2 CYS 41 -4.793 -1.151 -1.433
243 HB3 CYS 41 HB1 CYS 41 -3.413 -1.309 -0.352
244 H CYS 42 HN CYS 42 -6.808 -3.264 -1.097
245 HA CYS 42 HA CYS 42 -6.825 -4.606 -3.711
246 HB2 CYS 42 HB2 CYS 42 -8.505 -4.895 -1.278
247 HB3 CYS 42 HB1 CYS 42 -9.330 -5.031 -2.828
248 HA PRO 43 HA PRO 43 -8.576 -1.199 -5.865
249 HB2 PRO 43 HB2 PRO 43 -10.710 -3.171 -6.593
250 HB3 PRO 43 HB1 PRO 43 -9.837 -2.028 -7.624
251 HG2 PRO 43 HG2 PRO 43 -9.146 -4.584 -7.607
252 HG3 PRO 43 HG1 PRO 43 -7.903 -3.317 -7.638
253 HD2 PRO 43 HD2 PRO 43 -8.755 -5.079 -5.395
254 HD3 PRO 43 HD1 PRO 43 -7.157 -4.396 -5.754
255 H ALA 44 HN ALA 44 -10.155 0.317 -5.734
256 HA ALA 44 HA ALA 44 -11.488 0.721 -3.363
257 HB1 ALA 44 HB1 ALA 44 -12.385 1.804 -6.027
258 HB2 ALA 44 HB2 ALA 44 -11.020 2.437 -5.107
259 HB3 ALA 44 HB3 ALA 44 -12.648 2.517 -4.436
260 H GLY 45 HN GLY 45 -13.236 -0.115 -2.451
261 HA2 GLY 45 HA2 GLY 45 -15.364 -0.978 -2.242
262 HA3 GLY 45 HA1 GLY 45 -15.547 -0.854 -3.982
263 H TYR 46 HN TYR 46 -12.754 -2.609 -2.916
264 HA TYR 46 HA TYR 46 -14.211 -5.126 -3.393
265 HB2 TYR 46 HB2 TYR 46 -11.474 -4.277 -4.326
266 HB3 TYR 46 HB1 TYR 46 -11.944 -5.971 -4.245
267 HD1 TYR 46 HD1 TYR 46 -13.197 -6.953 -5.975
268 HD2 TYR 46 HD2 TYR 46 -12.841 -2.718 -5.795
269 HE1 TYR 46 HE1 TYR 46 -14.233 -6.777 -8.199
270 HE2 TYR 46 HE2 TYR 46 -13.875 -2.529 -8.016
271 HH TYR 46 HH TYR 46 -14.660 -5.389 -9.930
272 H LYS 47 HN LYS 47 -13.147 -7.043 -2.394
273 HA LYS 47 HA LYS 47 -11.646 -6.353 0.038
274 HB2 LYS 47 HB2 LYS 47 -13.020 -7.696 1.416
275 HB3 LYS 47 HB1 LYS 47 -14.121 -6.715 0.458
276 HG2 LYS 47 HG2 LYS 47 -15.175 -8.600 -0.044
277 HG3 LYS 47 HG1 LYS 47 -13.787 -9.006 -1.056
278 HD2 LYS 47 HD2 LYS 47 -12.994 -10.533 0.416
279 HD3 LYS 47 HD1 LYS 47 -13.503 -9.593 1.821
280 HE2 LYS 47 HE2 LYS 47 -15.906 -10.285 0.843
281 HE3 LYS 47 HE1 LYS 47 -14.953 -11.659 0.285
282 HZ1 LYS 47 HZ1 LYS 47 -14.376 -12.226 2.467
283 HZ2 LYS 47 HZ2 LYS 47 -16.025 -11.858 2.549
284 HZ3 LYS 47 HZ3 LYS 47 -14.881 -10.737 3.096
285 H CYS 48 HN CYS 48 -10.456 -8.131 0.981
286 HA CYS 48 HA CYS 48 -9.315 -9.836 -1.068
287 HB2 CYS 48 HB2 CYS 48 -8.494 -9.894 1.818
288 HB3 CYS 48 HB1 CYS 48 -7.516 -10.177 0.382
289 H GLY 49 HN GLY 49 -9.963 -11.850 -1.444
290 HA2 GLY 49 HA2 GLY 49 -11.280 -13.319 0.757
291 HA3 GLY 49 HA1 GLY 49 -11.810 -13.429 -0.915
292 HA PRO 50 HA PRO 50 -8.916 -17.013 0.221
293 HB2 PRO 50 HB2 PRO 50 -10.973 -18.355 -1.460
294 HB3 PRO 50 HB1 PRO 50 -10.198 -18.911 0.028
295 HG2 PRO 50 HG2 PRO 50 -12.708 -18.028 0.058
296 HG3 PRO 50 HG1 PRO 50 -11.593 -17.647 1.384
297 HD2 PRO 50 HD2 PRO 50 -12.534 -15.914 -0.862
298 HD3 PRO 50 HD1 PRO 50 -12.214 -15.492 0.833
299 H GLY 51 HN GLY 51 -7.187 -17.235 -1.038
300 HA2 GLY 51 HA2 GLY 51 -6.315 -18.070 -3.169
301 HA3 GLY 51 HA1 GLY 51 -7.558 -17.119 -3.966
302 H GLY 52 HN GLY 52 -6.973 -14.927 -1.915
303 HA2 GLY 52 HA2 GLY 52 -5.360 -13.262 -1.565
304 HA3 GLY 52 HA1 GLY 52 -4.311 -14.065 -2.722
305 H THR 53 HN THR 53 -7.649 -13.334 -3.440
306 HA THR 53 HA THR 53 -6.742 -11.212 -5.276
307 HB THR 53 HB THR 53 -7.876 -12.082 -7.019
308 HG1 THR 53 HG1 THR 53 -9.932 -11.696 -6.217
309 HG21 THR 53 HG21 THR 53 -6.597 -14.026 -6.014
310 HG22 THR 53 HG22 THR 53 -7.913 -14.452 -7.109
311 HG23 THR 53 HG23 THR 53 -8.138 -14.585 -5.364
312 H CYS 54 HN CYS 54 -8.637 -9.783 -5.973
313 HA CYS 54 HA CYS 54 -10.177 -9.096 -3.565
314 HB2 CYS 54 HB2 CYS 54 -9.707 -7.266 -5.910
315 HB3 CYS 54 HB1 CYS 54 -10.168 -6.840 -4.265
316 H ILE 55 HN ILE 55 -12.285 -9.389 -3.571
317 HA ILE 55 HA ILE 55 -13.698 -9.547 -6.152
318 HB ILE 55 HB ILE 55 -15.187 -11.237 -5.215
319 HG12 ILE 55 HG12 ILE 55 -13.439 -11.768 -2.884
320 HG13 ILE 55 HG11 ILE 55 -14.452 -10.333 -2.773
321 HG21 ILE 55 HG21 ILE 55 -12.247 -11.744 -5.283
322 HG22 ILE 55 HG22 ILE 55 -13.505 -12.265 -6.405
323 HG23 ILE 55 HG23 ILE 55 -13.347 -13.046 -4.831
324 HD11 ILE 55 HD11 ILE 55 -15.289 -12.663 -1.921
325 HD12 ILE 55 HD12 ILE 55 -15.705 -12.890 -3.619
326 HD13 ILE 55 HD13 ILE 55 -16.388 -11.537 -2.717
327 H SER 56 HN SER 56 -16.241 -9.588 -5.506
328 HA SER 56 HA SER 56 -16.641 -7.139 -3.922
329 HB2 SER 56 HB2 SER 56 -18.803 -6.987 -5.292
330 HB3 SER 56 HB1 SER 56 -17.292 -6.680 -6.149
331 HG SER 56 HG SER 56 -18.519 -8.083 -7.374
Start of MODEL 3
1 H1 ASP 1 HT1 ASP 1 1.913 15.274 -4.791
2 H2 ASP 1 HT2 ASP 1 3.584 15.168 -5.033
3 H3 ASP 1 HT3 ASP 1 2.975 15.985 -3.683
4 HA ASP 1 HA ASP 1 2.806 13.077 -4.222
5 HB2 ASP 1 HB2 ASP 1 4.188 14.589 -1.995
6 HB3 ASP 1 HB1 ASP 1 4.286 12.861 -2.320
7 H VAL 2 HN VAL 2 2.338 12.065 -1.879
8 HA VAL 2 HA VAL 2 0.044 13.486 -0.704
9 HB VAL 2 HB VAL 2 0.052 10.517 -1.259
10 HG11 VAL 2 HG11 VAL 2 -1.924 10.411 -0.193
11 HG12 VAL 2 HG12 VAL 2 -2.469 11.960 -0.833
12 HG13 VAL 2 HG13 VAL 2 -1.398 11.912 0.567
13 HG21 VAL 2 HG21 VAL 2 0.010 11.953 -3.334
14 HG22 VAL 2 HG22 VAL 2 -1.529 12.596 -2.758
15 HG23 VAL 2 HG23 VAL 2 -1.371 10.877 -3.120
16 H GLN 3 HN GLN 3 0.340 13.747 1.407
17 HA GLN 3 HA GLN 3 2.426 12.615 2.878
18 HB2 GLN 3 HB2 GLN 3 -0.085 14.074 3.602
19 HB3 GLN 3 HB1 GLN 3 0.868 13.329 4.879
20 HG2 GLN 3 HG2 GLN 3 2.708 14.720 3.313
21 HG3 GLN 3 HG1 GLN 3 1.311 15.787 3.453
22 HE21 GLN 3 HE21 GLN 3 0.369 15.582 5.843
23 HE22 GLN 3 HE22 GLN 3 1.549 15.879 7.069
24 H CYS 4 HN CYS 4 2.521 10.414 2.767
25 HA CYS 4 HA CYS 4 0.512 8.562 2.913
26 HB2 CYS 4 HB2 CYS 4 3.384 8.495 3.750
27 HB3 CYS 4 HB1 CYS 4 2.351 7.108 4.079
28 H GLY 5 HN GLY 5 2.221 10.061 5.630
29 HA2 GLY 5 HA2 GLY 5 0.328 10.379 7.441
30 HA3 GLY 5 HA1 GLY 5 0.502 8.631 7.510
31 H GLY 6 HN GLY 6 2.656 7.764 8.084
32 HA2 GLY 6 HA2 GLY 6 3.799 9.397 10.187
33 HA3 GLY 6 HA1 GLY 6 4.118 7.697 9.887
34 H GLY 7 HN GLY 7 4.578 10.794 8.153
35 HA2 GLY 7 HA2 GLY 7 6.549 11.750 7.436
36 HA3 GLY 7 HA1 GLY 7 7.422 10.402 8.134
37 H PHE 8 HN PHE 8 5.141 9.012 6.126
38 HA PHE 8 HA PHE 8 7.189 8.745 4.054
39 HB2 PHE 8 HB2 PHE 8 5.083 7.035 5.082
40 HB3 PHE 8 HB1 PHE 8 5.058 7.119 3.327
41 HD1 PHE 8 HD1 PHE 8 7.186 6.324 6.241
42 HD2 PHE 8 HD2 PHE 8 6.668 6.002 2.030
43 HE1 PHE 8 HE1 PHE 8 9.042 4.712 6.141
44 HE2 PHE 8 HE2 PHE 8 8.522 4.389 1.921
45 HZ PHE 8 HZ PHE 8 9.711 3.741 3.978
46 H SER 9 HN SER 9 5.927 8.220 1.812
47 HA SER 9 HA SER 9 3.782 9.961 1.155
48 HB2 SER 9 HB2 SER 9 6.539 11.000 0.912
49 HB3 SER 9 HB1 SER 9 5.516 11.232 -0.505
50 HG SER 9 HG SER 9 4.732 12.854 0.563
51 H CYS 10 HN CYS 10 3.212 9.880 -1.098
52 HA CYS 10 HA CYS 10 4.596 7.799 -2.644
53 HB2 CYS 10 HB2 CYS 10 1.639 8.034 -2.097
54 HB3 CYS 10 HB1 CYS 10 2.265 7.123 -3.464
55 H HIS 11 HN HIS 11 3.553 7.829 -4.993
56 HA HIS 11 HA HIS 11 3.931 10.550 -5.928
57 HB2 HIS 11 HB2 HIS 11 4.621 8.072 -6.944
58 HB3 HIS 11 HB1 HIS 11 3.271 8.561 -7.963
59 HD1 HIS 11 HD1 HIS 11 3.617 10.636 -9.476
60 HD2 HIS 11 HD2 HIS 11 6.963 9.564 -7.257
61 HE1 HIS 11 HE1 HIS 11 5.530 11.930 -10.473
62 HE2 HIS 11 HE2 HIS 11 7.556 11.209 -9.161
63 H ASP 12 HN ASP 12 2.492 11.388 -7.690
64 HA ASP 12 HA ASP 12 -0.126 11.667 -6.780
65 HB2 ASP 12 HB2 ASP 12 1.310 12.344 -9.303
66 HB3 ASP 12 HB1 ASP 12 -0.449 12.406 -9.319
67 H GLY 13 HN GLY 13 -1.894 10.451 -6.957
68 HA2 GLY 13 HA2 GLY 13 -3.431 9.097 -8.150
69 HA3 GLY 13 HA1 GLY 13 -2.117 8.563 -9.185
70 H GLU 14 HN GLU 14 -0.731 8.324 -6.286
71 HA GLU 14 HA GLU 14 -1.545 5.516 -6.032
72 HB2 GLU 14 HB2 GLU 14 0.773 6.582 -4.507
73 HB3 GLU 14 HB1 GLU 14 0.548 5.010 -5.256
74 HG2 GLU 14 HG2 GLU 14 0.760 7.333 -7.070
75 HG3 GLU 14 HG1 GLU 14 2.220 6.847 -6.207
76 H THR 15 HN THR 15 -1.577 4.591 -3.852
77 HA THR 15 HA THR 15 -2.701 6.477 -1.880
78 HB THR 15 HB THR 15 -3.573 3.623 -2.376
79 HG1 THR 15 HG1 THR 15 -4.244 5.629 -3.747
80 HG21 THR 15 HG21 THR 15 -3.705 4.218 -0.005
81 HG22 THR 15 HG22 THR 15 -5.315 4.081 -0.711
82 HG23 THR 15 HG23 THR 15 -4.614 5.672 -0.415
83 H CYS 16 HN CYS 16 -1.996 6.346 0.179
84 HA CYS 16 HA CYS 16 0.273 4.599 0.680
85 HB2 CYS 16 HB2 CYS 16 -0.891 6.864 2.307
86 HB3 CYS 16 HB1 CYS 16 0.575 5.973 2.719
87 H CYS 17 HN CYS 17 0.130 2.764 1.759
88 HA CYS 17 HA CYS 17 -2.078 2.396 3.666
89 HB2 CYS 17 HB2 CYS 17 -1.036 0.449 1.605
90 HB3 CYS 17 HB1 CYS 17 -2.029 -0.049 2.971
91 HA PRO 18 HA PRO 18 1.468 1.367 6.198
92 HB2 PRO 18 HB2 PRO 18 0.258 1.480 8.570
93 HB3 PRO 18 HB1 PRO 18 0.510 2.946 7.614
94 HG2 PRO 18 HG2 PRO 18 -1.972 1.319 7.972
95 HG3 PRO 18 HG1 PRO 18 -1.787 3.080 7.896
96 HD2 PRO 18 HD2 PRO 18 -2.569 1.447 5.781
97 HD3 PRO 18 HD1 PRO 18 -1.935 3.094 5.623
98 H THR 19 HN THR 19 1.324 -0.835 5.127
99 HA THR 19 HA THR 19 -0.180 -2.880 6.471
100 HB THR 19 HB THR 19 0.665 -4.386 4.884
101 HG1 THR 19 HG1 THR 19 2.563 -3.635 3.559
102 HG21 THR 19 HG21 THR 19 0.923 -1.922 3.219
103 HG22 THR 19 HG22 THR 19 -0.612 -2.252 4.021
104 HG23 THR 19 HG23 THR 19 0.056 -3.422 2.884
105 H SER 20 HN SER 20 2.220 -1.218 7.677
106 HA SER 20 HA SER 20 3.212 -3.455 9.246
107 HB2 SER 20 HB2 SER 20 4.870 -1.881 7.349
108 HB3 SER 20 HB1 SER 20 5.585 -2.240 8.921
109 HG SER 20 HG SER 20 5.630 -3.820 6.937
110 H GLN 21 HN GLN 21 5.336 -0.938 9.631
111 HA GLN 21 HA GLN 21 3.686 0.694 11.360
112 HB2 GLN 21 HB2 GLN 21 5.359 -1.456 12.385
113 HB3 GLN 21 HB1 GLN 21 5.804 0.106 13.060
114 HG2 GLN 21 HG2 GLN 21 2.929 -0.621 12.998
115 HG3 GLN 21 HG1 GLN 21 3.971 -1.427 14.170
116 HE21 GLN 21 HE21 GLN 21 3.007 1.756 12.987
117 HE22 GLN 21 HE22 GLN 21 3.202 2.575 14.495
118 H THR 22 HN THR 22 6.678 -0.016 9.765
119 HA THR 22 HA THR 22 7.472 2.806 10.063
120 HB THR 22 HB THR 22 9.002 1.452 11.382
121 HG1 THR 22 HG1 THR 22 10.546 1.976 9.108
122 HG21 THR 22 HG21 THR 22 9.783 -0.553 10.767
123 HG22 THR 22 HG22 THR 22 10.262 0.035 9.175
124 HG23 THR 22 HG23 THR 22 8.602 -0.489 9.459
125 H THR 23 HN THR 23 6.293 0.641 7.977
126 HA THR 23 HA THR 23 7.690 1.857 5.685
127 HB THR 23 HB THR 23 7.465 -0.209 4.424
128 HG1 THR 23 HG1 THR 23 6.646 -1.590 6.743
129 HG21 THR 23 HG21 THR 23 8.747 -1.684 6.359
130 HG22 THR 23 HG22 THR 23 9.011 -0.024 6.894
131 HG23 THR 23 HG23 THR 23 9.515 -0.521 5.279
132 H TRP 24 HN TRP 24 6.436 2.420 3.927
133 HA TRP 24 HA TRP 24 3.524 2.092 4.245
134 HB2 TRP 24 HB2 TRP 24 5.133 4.542 3.631
135 HB3 TRP 24 HB1 TRP 24 3.510 4.389 2.965
136 HD1 TRP 24 HD1 TRP 24 5.344 4.783 6.300
137 HE1 TRP 24 HE1 TRP 24 3.650 5.529 8.089
138 HE3 TRP 24 HE3 TRP 24 1.076 4.340 3.571
139 HZ2 TRP 24 HZ2 TRP 24 0.851 5.880 8.300
140 HZ3 TRP 24 HZ3 TRP 24 -1.076 4.890 4.626
141 HH2 TRP 24 HH2 TRP 24 -1.179 5.649 6.938
142 H GLY 25 HN GLY 25 2.403 1.464 2.469
143 HA2 GLY 25 HA2 GLY 25 3.999 0.949 0.049
144 HA3 GLY 25 HA1 GLY 25 2.540 0.085 0.507
145 H CYS 26 HN CYS 26 3.345 1.554 -1.967
146 HA CYS 26 HA CYS 26 1.206 3.569 -2.066
147 HB2 CYS 26 HB2 CYS 26 3.469 3.113 -4.024
148 HB3 CYS 26 HB1 CYS 26 2.293 4.420 -4.084
149 H CYS 27 HN CYS 27 -0.622 3.083 -3.111
150 HA CYS 27 HA CYS 27 -0.569 0.854 -5.036
151 HB2 CYS 27 HB2 CYS 27 -2.140 1.204 -2.636
152 HB3 CYS 27 HB1 CYS 27 -3.184 1.052 -4.044
153 HA PRO 28 HA PRO 28 -2.124 4.049 -7.765
154 HB2 PRO 28 HB2 PRO 28 -2.386 2.497 -9.969
155 HB3 PRO 28 HB1 PRO 28 -0.818 3.081 -9.398
156 HG2 PRO 28 HG2 PRO 28 -2.103 0.405 -8.995
157 HG3 PRO 28 HG1 PRO 28 -0.424 0.785 -9.424
158 HD2 PRO 28 HD2 PRO 28 -1.175 0.153 -6.899
159 HD3 PRO 28 HD1 PRO 28 0.153 1.278 -7.246
160 H SER 29 HN SER 29 -4.109 4.087 -6.439
161 HA SER 29 HA SER 29 -6.403 3.451 -8.003
162 HB2 SER 29 HB2 SER 29 -5.523 1.424 -6.231
163 HB3 SER 29 HB1 SER 29 -6.957 2.147 -5.502
164 HG SER 29 HG SER 29 -7.479 0.442 -6.942
165 HA PRO 30 HA PRO 30 -8.064 6.780 -5.632
166 HB2 PRO 30 HB2 PRO 30 -10.715 6.173 -5.503
167 HB3 PRO 30 HB1 PRO 30 -9.927 6.753 -6.974
168 HG2 PRO 30 HG2 PRO 30 -10.633 3.956 -6.180
169 HG3 PRO 30 HG1 PRO 30 -10.811 4.752 -7.754
170 HD2 PRO 30 HD2 PRO 30 -8.772 3.063 -7.207
171 HD3 PRO 30 HD1 PRO 30 -8.595 4.449 -8.303
172 H LYS 31 HN LYS 31 -10.735 5.675 -4.174
173 HA LYS 31 HA LYS 31 -9.477 5.556 -1.590
174 HB2 LYS 31 HB2 LYS 31 -11.846 6.520 -2.387
175 HB3 LYS 31 HB1 LYS 31 -12.361 4.909 -1.907
176 HG2 LYS 31 HG2 LYS 31 -11.253 5.325 0.307
177 HG3 LYS 31 HG1 LYS 31 -11.044 7.002 -0.202
178 HD2 LYS 31 HD2 LYS 31 -13.052 7.294 0.774
179 HD3 LYS 31 HD1 LYS 31 -13.674 6.628 -0.738
180 HE2 LYS 31 HE2 LYS 31 -12.912 4.521 1.072
181 HE3 LYS 31 HE1 LYS 31 -14.047 5.625 1.846
182 HZ1 LYS 31 HZ1 LYS 31 -15.688 4.737 0.681
183 HZ2 LYS 31 HZ2 LYS 31 -14.611 3.619 0.009
184 HZ3 LYS 31 HZ3 LYS 31 -14.908 5.085 -0.780
185 H ALA 32 HN ALA 32 -8.394 3.492 -2.784
186 HA ALA 32 HA ALA 32 -9.825 1.050 -2.682
187 HB1 ALA 32 HB1 ALA 32 -6.880 1.028 -2.354
188 HB2 ALA 32 HB2 ALA 32 -7.527 1.760 -3.822
189 HB3 ALA 32 HB3 ALA 32 -7.910 0.084 -3.430
190 H VAL 33 HN VAL 33 -9.432 -0.744 -1.228
191 HA VAL 33 HA VAL 33 -9.141 0.153 1.544
192 HB VAL 33 HB VAL 33 -9.996 -2.602 0.681
193 HG11 VAL 33 HG11 VAL 33 -9.577 -2.537 2.984
194 HG12 VAL 33 HG12 VAL 33 -11.324 -2.343 2.849
195 HG13 VAL 33 HG13 VAL 33 -10.303 -0.940 3.161
196 HG21 VAL 33 HG21 VAL 33 -11.336 -0.691 -0.408
197 HG22 VAL 33 HG22 VAL 33 -11.958 -0.400 1.216
198 HG23 VAL 33 HG23 VAL 33 -12.222 -1.960 0.437
199 H CYS 34 HN CYS 34 -7.272 -0.188 2.582
200 HA CYS 34 HA CYS 34 -5.145 -1.625 1.368
201 HB2 CYS 34 HB2 CYS 34 -5.290 -0.673 4.232
202 HB3 CYS 34 HB1 CYS 34 -3.841 -1.013 3.292
203 H CYS 35 HN CYS 35 -5.477 -3.787 1.127
204 HA CYS 35 HA CYS 35 -6.710 -5.531 2.920
205 HB2 CYS 35 HB2 CYS 35 -4.449 -6.101 0.985
206 HB3 CYS 35 HB1 CYS 35 -5.424 -7.331 1.783
207 H ASP 36 HN ASP 36 -6.212 -5.779 4.961
208 HA ASP 36 HA ASP 36 -3.441 -5.492 5.849
209 HB2 ASP 36 HB2 ASP 36 -6.048 -5.472 7.369
210 HB3 ASP 36 HB1 ASP 36 -4.465 -5.367 8.134
211 H ASP 37 HN ASP 37 -5.647 -8.024 5.188
212 HA ASP 37 HA ASP 37 -5.114 -9.847 7.214
213 HB2 ASP 37 HB2 ASP 37 -6.701 -10.019 5.153
214 HB3 ASP 37 HB1 ASP 37 -5.301 -10.715 4.341
215 H MET 38 HN MET 38 -3.314 -9.063 4.304
216 HA MET 38 HA MET 38 -0.974 -10.443 5.425
217 HB2 MET 38 HB2 MET 38 -1.992 -10.501 2.586
218 HB3 MET 38 HB1 MET 38 -0.324 -10.883 2.988
219 HG2 MET 38 HG2 MET 38 -1.741 -12.457 4.729
220 HG3 MET 38 HG1 MET 38 -2.737 -12.483 3.276
221 HE1 MET 38 HE1 MET 38 -0.577 -15.652 3.974
222 HE2 MET 38 HE2 MET 38 -1.758 -15.598 2.665
223 HE3 MET 38 HE3 MET 38 -2.123 -14.837 4.214
224 H GLN 39 HN GLN 39 -0.899 -8.878 2.323
225 HA GLN 39 HA GLN 39 -0.127 -6.310 3.358
226 HB2 GLN 39 HB2 GLN 39 1.881 -8.293 2.788
227 HB3 GLN 39 HB1 GLN 39 2.031 -6.960 1.653
228 HG2 GLN 39 HG2 GLN 39 2.297 -5.386 3.421
229 HG3 GLN 39 HG1 GLN 39 1.902 -6.603 4.634
230 HE21 GLN 39 HE21 GLN 39 3.490 -7.804 5.467
231 HE22 GLN 39 HE22 GLN 39 5.133 -7.786 4.933
232 H HIS 40 HN HIS 40 -2.020 -5.795 2.014
233 HA HIS 40 HA HIS 40 -1.201 -5.176 -0.686
234 HB2 HIS 40 HB2 HIS 40 -2.223 -7.690 -0.365
235 HB3 HIS 40 HB1 HIS 40 -3.652 -6.774 -0.833
236 HD1 HIS 40 HD1 HIS 40 -3.595 -5.635 -3.200
237 HD2 HIS 40 HD2 HIS 40 -0.392 -8.154 -2.384
238 HE1 HIS 40 HE1 HIS 40 -2.496 -6.067 -5.421
239 HE2 HIS 40 HE2 HIS 40 -0.538 -7.564 -4.898
240 H CYS 41 HN CYS 41 -3.401 -4.707 -2.006
241 HA CYS 41 HA CYS 41 -5.259 -3.147 -0.393
242 HB2 CYS 41 HB2 CYS 41 -4.861 -1.097 -1.425
243 HB3 CYS 41 HB1 CYS 41 -3.233 -1.735 -1.225
244 H CYS 42 HN CYS 42 -7.260 -2.810 -1.410
245 HA CYS 42 HA CYS 42 -7.646 -4.300 -3.920
246 HB2 CYS 42 HB2 CYS 42 -9.044 -4.417 -1.340
247 HB3 CYS 42 HB1 CYS 42 -10.118 -4.278 -2.725
248 HA PRO 43 HA PRO 43 -8.839 -0.456 -5.811
249 HB2 PRO 43 HB2 PRO 43 -10.748 -2.292 -7.206
250 HB3 PRO 43 HB1 PRO 43 -9.695 -1.040 -7.881
251 HG2 PRO 43 HG2 PRO 43 -9.008 -3.591 -8.075
252 HG3 PRO 43 HG1 PRO 43 -7.789 -2.359 -7.695
253 HD2 PRO 43 HD2 PRO 43 -9.071 -4.368 -5.906
254 HD3 PRO 43 HD1 PRO 43 -7.421 -3.713 -5.873
255 H ALA 44 HN ALA 44 -10.220 1.055 -5.228
256 HA ALA 44 HA ALA 44 -12.109 0.881 -3.282
257 HB1 ALA 44 HB1 ALA 44 -13.139 2.958 -4.378
258 HB2 ALA 44 HB2 ALA 44 -11.865 2.785 -5.585
259 HB3 ALA 44 HB3 ALA 44 -11.446 3.035 -3.891
260 H GLY 45 HN GLY 45 -13.704 -0.580 -3.221
261 HA2 GLY 45 HA2 GLY 45 -16.091 -0.728 -3.907
262 HA3 GLY 45 HA1 GLY 45 -15.500 -0.726 -5.562
263 H TYR 46 HN TYR 46 -13.303 -2.485 -3.836
264 HA TYR 46 HA TYR 46 -14.794 -4.996 -4.198
265 HB2 TYR 46 HB2 TYR 46 -11.965 -4.365 -5.050
266 HB3 TYR 46 HB1 TYR 46 -12.583 -6.007 -4.916
267 HD1 TYR 46 HD1 TYR 46 -12.779 -2.863 -6.803
268 HD2 TYR 46 HD2 TYR 46 -14.140 -6.886 -6.541
269 HE1 TYR 46 HE1 TYR 46 -13.660 -2.708 -9.093
270 HE2 TYR 46 HE2 TYR 46 -15.025 -6.742 -8.832
271 HH TYR 46 HH TYR 46 -15.850 -4.618 -10.355
272 H LYS 47 HN LYS 47 -13.827 -6.826 -2.972
273 HA LYS 47 HA LYS 47 -12.614 -5.876 -0.460
274 HB2 LYS 47 HB2 LYS 47 -15.042 -6.816 -0.486
275 HB3 LYS 47 HB1 LYS 47 -14.259 -8.382 -0.648
276 HG2 LYS 47 HG2 LYS 47 -13.188 -6.699 1.499
277 HG3 LYS 47 HG1 LYS 47 -14.870 -7.188 1.707
278 HD2 LYS 47 HD2 LYS 47 -13.376 -9.439 0.804
279 HD3 LYS 47 HD1 LYS 47 -12.523 -8.709 2.165
280 HE2 LYS 47 HE2 LYS 47 -14.778 -8.692 3.354
281 HE3 LYS 47 HE1 LYS 47 -15.335 -9.765 2.071
282 HZ1 LYS 47 HZ1 LYS 47 -12.851 -10.596 3.253
283 HZ2 LYS 47 HZ2 LYS 47 -14.259 -11.486 2.960
284 HZ3 LYS 47 HZ3 LYS 47 -14.128 -10.551 4.362
285 H CYS 48 HN CYS 48 -11.203 -7.391 0.647
286 HA CYS 48 HA CYS 48 -9.580 -8.880 -1.255
287 HB2 CYS 48 HB2 CYS 48 -9.012 -7.339 1.018
288 HB3 CYS 48 HB1 CYS 48 -8.627 -8.996 1.472
289 H GLY 49 HN GLY 49 -9.900 -10.976 -1.578
290 HA2 GLY 49 HA2 GLY 49 -11.340 -12.534 0.438
291 HA3 GLY 49 HA1 GLY 49 -11.050 -13.011 -1.229
292 HA PRO 50 HA PRO 50 -7.918 -15.117 1.522
293 HB2 PRO 50 HB2 PRO 50 -8.808 -17.634 1.448
294 HB3 PRO 50 HB1 PRO 50 -9.514 -16.447 2.552
295 HG2 PRO 50 HG2 PRO 50 -10.549 -17.449 -0.069
296 HG3 PRO 50 HG1 PRO 50 -11.432 -17.125 1.433
297 HD2 PRO 50 HD2 PRO 50 -11.310 -15.400 -0.722
298 HD3 PRO 50 HD1 PRO 50 -11.673 -14.908 0.943
299 H GLY 51 HN GLY 51 -8.525 -14.788 -1.591
300 HA2 GLY 51 HA2 GLY 51 -6.665 -16.923 -2.432
301 HA3 GLY 51 HA1 GLY 51 -7.903 -16.238 -3.473
302 H GLY 52 HN GLY 52 -6.336 -13.957 -1.498
303 HA2 GLY 52 HA2 GLY 52 -4.764 -12.332 -1.915
304 HA3 GLY 52 HA1 GLY 52 -4.041 -13.434 -3.078
305 H THR 53 HN THR 53 -7.369 -12.572 -3.440
306 HA THR 53 HA THR 53 -6.707 -10.548 -5.458
307 HB THR 53 HB THR 53 -8.694 -11.679 -6.791
308 HG1 THR 53 HG1 THR 53 -7.488 -14.019 -5.779
309 HG21 THR 53 HG21 THR 53 -6.754 -11.477 -8.001
310 HG22 THR 53 HG22 THR 53 -6.827 -13.231 -7.829
311 HG23 THR 53 HG23 THR 53 -5.776 -12.284 -6.776
312 H CYS 54 HN CYS 54 -8.693 -9.358 -6.194
313 HA CYS 54 HA CYS 54 -10.376 -8.831 -3.865
314 HB2 CYS 54 HB2 CYS 54 -10.090 -7.250 -6.429
315 HB3 CYS 54 HB1 CYS 54 -10.978 -6.747 -4.994
316 H ILE 55 HN ILE 55 -12.513 -9.214 -3.798
317 HA ILE 55 HA ILE 55 -13.837 -10.122 -6.266
318 HB ILE 55 HB ILE 55 -15.182 -11.677 -4.816
319 HG12 ILE 55 HG12 ILE 55 -12.982 -11.622 -2.807
320 HG13 ILE 55 HG11 ILE 55 -14.201 -10.355 -2.712
321 HG21 ILE 55 HG21 ILE 55 -13.679 -12.829 -6.099
322 HG22 ILE 55 HG22 ILE 55 -13.104 -13.257 -4.487
323 HG23 ILE 55 HG23 ILE 55 -12.285 -11.996 -5.410
324 HD11 ILE 55 HD11 ILE 55 -14.420 -12.678 -1.441
325 HD12 ILE 55 HD12 ILE 55 -15.180 -13.129 -2.968
326 HD13 ILE 55 HD13 ILE 55 -15.817 -11.777 -2.031
327 H SER 56 HN SER 56 -16.245 -10.027 -6.109
328 HA SER 56 HA SER 56 -17.049 -7.431 -5.255
329 HB2 SER 56 HB2 SER 56 -17.939 -8.872 -7.237
330 HB3 SER 56 HB1 SER 56 -18.997 -9.587 -6.020
331 HG SER 56 HG SER 56 -18.882 -6.826 -6.018
Start of MODEL 4
1 H1 ASP 1 HT1 ASP 1 4.504 16.842 -3.814
2 H2 ASP 1 HT2 ASP 1 4.490 16.266 -5.405
3 H3 ASP 1 HT3 ASP 1 5.877 16.088 -4.454
4 HA ASP 1 HA ASP 1 3.876 14.251 -4.791
5 HB2 ASP 1 HB2 ASP 1 5.168 13.138 -2.844
6 HB3 ASP 1 HB1 ASP 1 6.060 13.538 -4.310
7 H VAL 2 HN VAL 2 2.854 12.993 -2.935
8 HA VAL 2 HA VAL 2 1.371 14.889 -1.250
9 HB VAL 2 HB VAL 2 0.486 12.060 -1.514
10 HG11 VAL 2 HG11 VAL 2 -0.912 14.726 -1.386
11 HG12 VAL 2 HG12 VAL 2 -0.785 13.521 -0.104
12 HG13 VAL 2 HG13 VAL 2 -1.737 13.176 -1.548
13 HG21 VAL 2 HG21 VAL 2 -0.159 12.120 -3.678
14 HG22 VAL 2 HG22 VAL 2 1.172 13.266 -3.824
15 HG23 VAL 2 HG23 VAL 2 -0.480 13.852 -3.647
16 H GLN 3 HN GLN 3 1.452 14.778 0.931
17 HA GLN 3 HA GLN 3 3.380 12.981 2.128
18 HB2 GLN 3 HB2 GLN 3 2.327 15.545 2.754
19 HB3 GLN 3 HB1 GLN 3 1.937 14.472 4.093
20 HG2 GLN 3 HG2 GLN 3 4.087 15.703 4.330
21 HG3 GLN 3 HG1 GLN 3 4.222 13.949 4.454
22 HE21 GLN 3 HE21 GLN 3 4.861 16.745 2.470
23 HE22 GLN 3 HE22 GLN 3 6.011 15.988 1.426
24 H CYS 4 HN CYS 4 2.843 11.015 2.786
25 HA CYS 4 HA CYS 4 0.209 10.053 2.941
26 HB2 CYS 4 HB2 CYS 4 1.902 8.435 2.596
27 HB3 CYS 4 HB1 CYS 4 2.819 8.970 4.001
28 H GLY 5 HN GLY 5 2.424 10.015 5.684
29 HA2 GLY 5 HA2 GLY 5 1.594 11.540 7.610
30 HA3 GLY 5 HA1 GLY 5 0.157 10.532 7.477
31 H GLY 6 HN GLY 6 3.675 10.172 7.655
32 HA2 GLY 6 HA2 GLY 6 3.915 8.860 10.038
33 HA3 GLY 6 HA1 GLY 6 3.502 7.587 8.897
34 H GLY 7 HN GLY 7 5.143 10.008 7.291
35 HA2 GLY 7 HA2 GLY 7 7.572 10.359 7.342
36 HA3 GLY 7 HA1 GLY 7 7.730 8.655 7.727
37 H PHE 8 HN PHE 8 5.409 8.356 5.590
38 HA PHE 8 HA PHE 8 7.306 8.261 3.338
39 HB2 PHE 8 HB2 PHE 8 4.928 6.564 4.041
40 HB3 PHE 8 HB1 PHE 8 5.626 6.560 2.422
41 HD1 PHE 8 HD1 PHE 8 6.806 6.306 5.961
42 HD2 PHE 8 HD2 PHE 8 7.142 4.910 1.955
43 HE1 PHE 8 HE1 PHE 8 8.480 4.653 6.682
44 HE2 PHE 8 HE2 PHE 8 8.817 3.256 2.668
45 HZ PHE 8 HZ PHE 8 9.486 3.124 5.035
46 H SER 9 HN SER 9 5.893 8.030 1.181
47 HA SER 9 HA SER 9 3.706 9.919 1.049
48 HB2 SER 9 HB2 SER 9 5.491 10.800 -0.977
49 HB3 SER 9 HB1 SER 9 4.904 11.707 0.417
50 HG SER 9 HG SER 9 6.956 11.684 0.921
51 H CYS 10 HN CYS 10 2.734 9.993 -1.113
52 HA CYS 10 HA CYS 10 3.451 7.676 -2.781
53 HB2 CYS 10 HB2 CYS 10 0.874 8.349 -1.501
54 HB3 CYS 10 HB1 CYS 10 0.773 7.858 -3.186
55 H HIS 11 HN HIS 11 2.571 7.828 -5.005
56 HA HIS 11 HA HIS 11 3.048 10.484 -6.052
57 HB2 HIS 11 HB2 HIS 11 3.796 8.127 -6.999
58 HB3 HIS 11 HB1 HIS 11 2.230 8.202 -7.800
59 HD1 HIS 11 HD1 HIS 11 4.356 11.262 -7.312
60 HD2 HIS 11 HD2 HIS 11 3.293 8.609 -10.330
61 HE1 HIS 11 HE1 HIS 11 5.196 12.298 -9.445
62 HE2 HIS 11 HE2 HIS 11 4.535 10.679 -11.260
63 H ASP 12 HN ASP 12 1.594 11.183 -7.959
64 HA ASP 12 HA ASP 12 -0.952 11.772 -6.960
65 HB2 ASP 12 HB2 ASP 12 0.578 12.693 -9.033
66 HB3 ASP 12 HB1 ASP 12 -0.700 11.837 -9.892
67 H GLY 13 HN GLY 13 -2.821 10.711 -6.971
68 HA2 GLY 13 HA2 GLY 13 -4.501 9.334 -7.869
69 HA3 GLY 13 HA1 GLY 13 -3.323 8.661 -8.985
70 H GLU 14 HN GLU 14 -1.633 8.497 -6.277
71 HA GLU 14 HA GLU 14 -2.610 5.790 -5.694
72 HB2 GLU 14 HB2 GLU 14 -0.060 6.603 -4.484
73 HB3 GLU 14 HB1 GLU 14 -0.473 5.141 -5.369
74 HG2 GLU 14 HG2 GLU 14 -0.405 7.410 -7.134
75 HG3 GLU 14 HG1 GLU 14 1.104 7.266 -6.234
76 H THR 15 HN THR 15 -2.452 5.031 -3.429
77 HA THR 15 HA THR 15 -2.966 7.190 -1.492
78 HB THR 15 HB THR 15 -4.416 4.536 -1.502
79 HG1 THR 15 HG1 THR 15 -4.823 6.305 -3.255
80 HG21 THR 15 HG21 THR 15 -5.904 6.447 -0.152
81 HG22 THR 15 HG22 THR 15 -4.243 6.784 0.332
82 HG23 THR 15 HG23 THR 15 -4.925 5.177 0.582
83 H CYS 16 HN CYS 16 -2.068 6.911 0.536
84 HA CYS 16 HA CYS 16 -0.083 4.799 0.714
85 HB2 CYS 16 HB2 CYS 16 1.042 6.113 2.212
86 HB3 CYS 16 HB1 CYS 16 0.181 7.347 1.302
87 H CYS 17 HN CYS 17 -0.295 2.997 1.845
88 HA CYS 17 HA CYS 17 -2.345 2.863 3.957
89 HB2 CYS 17 HB2 CYS 17 -3.310 1.032 3.056
90 HB3 CYS 17 HB1 CYS 17 -2.559 1.575 1.560
91 HA PRO 18 HA PRO 18 1.102 1.334 6.302
92 HB2 PRO 18 HB2 PRO 18 -0.114 1.036 8.647
93 HB3 PRO 18 HB1 PRO 18 0.068 2.640 7.931
94 HG2 PRO 18 HG2 PRO 18 -2.336 0.858 7.987
95 HG3 PRO 18 HG1 PRO 18 -2.237 2.611 8.227
96 HD2 PRO 18 HD2 PRO 18 -2.935 1.365 5.841
97 HD3 PRO 18 HD1 PRO 18 -2.342 3.028 5.986
98 H THR 19 HN THR 19 1.881 -0.666 5.906
99 HA THR 19 HA THR 19 0.128 -2.983 6.074
100 HB THR 19 HB THR 19 1.844 -4.230 4.998
101 HG1 THR 19 HG1 THR 19 3.789 -2.386 4.712
102 HG21 THR 19 HG21 THR 19 0.695 -2.842 3.438
103 HG22 THR 19 HG22 THR 19 2.407 -2.768 3.023
104 HG23 THR 19 HG23 THR 19 1.652 -1.431 3.892
105 H SER 20 HN SER 20 2.258 -1.317 8.096
106 HA SER 20 HA SER 20 2.148 -3.468 10.038
107 HB2 SER 20 HB2 SER 20 4.846 -2.254 9.469
108 HB3 SER 20 HB1 SER 20 4.466 -3.706 10.394
109 HG SER 20 HG SER 20 4.297 -3.343 7.589
110 H GLN 21 HN GLN 21 4.619 -1.164 10.569
111 HA GLN 21 HA GLN 21 2.822 0.672 11.962
112 HB2 GLN 21 HB2 GLN 21 4.966 0.384 13.724
113 HB3 GLN 21 HB1 GLN 21 3.317 -0.170 13.969
114 HG2 GLN 21 HG2 GLN 21 4.119 -2.224 14.126
115 HG3 GLN 21 HG1 GLN 21 4.505 -2.142 12.407
116 HE21 GLN 21 HE21 GLN 21 6.621 -1.618 11.777
117 HE22 GLN 21 HE22 GLN 21 7.954 -1.791 12.861
118 H THR 22 HN THR 22 5.788 -0.021 10.371
119 HA THR 22 HA THR 22 6.440 2.847 10.375
120 HB THR 22 HB THR 22 8.907 1.884 10.104
121 HG1 THR 22 HG1 THR 22 7.903 -0.320 10.454
122 HG21 THR 22 HG21 THR 22 7.747 3.393 11.917
123 HG22 THR 22 HG22 THR 22 9.325 2.670 12.227
124 HG23 THR 22 HG23 THR 22 7.872 1.934 12.902
125 H THR 23 HN THR 23 5.288 0.547 8.547
126 HA THR 23 HA THR 23 6.912 1.241 6.187
127 HB THR 23 HB THR 23 5.160 -1.002 5.720
128 HG1 THR 23 HG1 THR 23 5.896 -2.407 7.240
129 HG21 THR 23 HG21 THR 23 7.578 -0.089 4.828
130 HG22 THR 23 HG22 THR 23 6.912 -1.687 4.490
131 HG23 THR 23 HG23 THR 23 8.050 -1.469 5.819
132 H TRP 24 HN TRP 24 5.855 1.758 4.258
133 HA TRP 24 HA TRP 24 2.955 2.140 4.381
134 HB2 TRP 24 HB2 TRP 24 5.026 4.264 3.955
135 HB3 TRP 24 HB1 TRP 24 3.450 4.415 3.187
136 HD1 TRP 24 HD1 TRP 24 5.200 5.038 6.419
137 HE1 TRP 24 HE1 TRP 24 3.515 5.835 8.196
138 HE3 TRP 24 HE3 TRP 24 0.883 3.999 3.939
139 HZ2 TRP 24 HZ2 TRP 24 0.713 6.004 8.496
140 HZ3 TRP 24 HZ3 TRP 24 -1.263 4.518 5.022
141 HH2 TRP 24 HH2 TRP 24 -1.343 5.494 7.253
142 H GLY 25 HN GLY 25 1.908 1.945 2.427
143 HA2 GLY 25 HA2 GLY 25 3.625 1.383 0.087
144 HA3 GLY 25 HA1 GLY 25 2.243 0.374 0.488
145 H CYS 26 HN CYS 26 2.559 1.592 -1.997
146 HA CYS 26 HA CYS 26 0.609 3.791 -1.959
147 HB2 CYS 26 HB2 CYS 26 2.757 2.973 -3.881
148 HB3 CYS 26 HB1 CYS 26 1.375 3.886 -4.475
149 H CYS 27 HN CYS 27 -1.385 3.501 -2.714
150 HA CYS 27 HA CYS 27 -2.021 0.948 -4.021
151 HB2 CYS 27 HB2 CYS 27 -3.603 2.769 -2.224
152 HB3 CYS 27 HB1 CYS 27 -4.416 1.614 -3.272
153 HA PRO 28 HA PRO 28 -2.967 3.355 -7.636
154 HB2 PRO 28 HB2 PRO 28 -3.999 1.404 -9.166
155 HB3 PRO 28 HB1 PRO 28 -2.277 1.464 -8.769
156 HG2 PRO 28 HG2 PRO 28 -4.445 -0.199 -7.547
157 HG3 PRO 28 HG1 PRO 28 -2.796 -0.668 -7.999
158 HD2 PRO 28 HD2 PRO 28 -3.554 -0.050 -5.443
159 HD3 PRO 28 HD1 PRO 28 -1.901 0.153 -6.057
160 H SER 29 HN SER 29 -4.921 3.365 -5.422
161 HA SER 29 HA SER 29 -7.197 4.235 -6.925
162 HB2 SER 29 HB2 SER 29 -7.176 1.546 -5.803
163 HB3 SER 29 HB1 SER 29 -8.506 2.520 -5.178
164 HG SER 29 HG SER 29 -9.411 2.523 -7.090
165 HA PRO 30 HA PRO 30 -7.345 7.007 -3.470
166 HB2 PRO 30 HB2 PRO 30 -10.244 7.182 -4.081
167 HB3 PRO 30 HB1 PRO 30 -9.036 8.466 -3.981
168 HG2 PRO 30 HG2 PRO 30 -9.981 7.658 -6.339
169 HG3 PRO 30 HG1 PRO 30 -8.275 8.098 -6.139
170 HD2 PRO 30 HD2 PRO 30 -9.528 5.389 -6.312
171 HD3 PRO 30 HD1 PRO 30 -7.996 5.968 -6.997
172 H LYS 31 HN LYS 31 -10.531 5.436 -3.616
173 HA LYS 31 HA LYS 31 -10.440 4.964 -0.756
174 HB2 LYS 31 HB2 LYS 31 -12.639 4.267 -2.706
175 HB3 LYS 31 HB1 LYS 31 -12.768 4.361 -0.955
176 HG2 LYS 31 HG2 LYS 31 -11.822 6.857 -1.706
177 HG3 LYS 31 HG1 LYS 31 -13.014 6.444 -2.939
178 HD2 LYS 31 HD2 LYS 31 -14.546 7.172 -1.482
179 HD3 LYS 31 HD1 LYS 31 -14.244 5.673 -0.601
180 HE2 LYS 31 HE2 LYS 31 -12.370 6.941 0.573
181 HE3 LYS 31 HE1 LYS 31 -13.090 8.401 -0.103
182 HZ1 LYS 31 HZ1 LYS 31 -15.165 7.846 1.015
183 HZ2 LYS 31 HZ2 LYS 31 -13.898 7.989 2.128
184 HZ3 LYS 31 HZ3 LYS 31 -14.459 6.458 1.679
185 H ALA 32 HN ALA 32 -8.569 3.462 -2.286
186 HA ALA 32 HA ALA 32 -9.443 0.821 -2.809
187 HB1 ALA 32 HB1 ALA 32 -7.429 0.899 -3.757
188 HB2 ALA 32 HB2 ALA 32 -6.760 0.625 -2.148
189 HB3 ALA 32 HB3 ALA 32 -6.932 2.269 -2.763
190 H VAL 33 HN VAL 33 -8.776 -1.113 -1.588
191 HA VAL 33 HA VAL 33 -8.937 -0.661 1.316
192 HB VAL 33 HB VAL 33 -9.632 -3.239 -0.084
193 HG11 VAL 33 HG11 VAL 33 -10.846 -3.727 1.952
194 HG12 VAL 33 HG12 VAL 33 -10.458 -2.133 2.598
195 HG13 VAL 33 HG13 VAL 33 -9.175 -3.316 2.336
196 HG21 VAL 33 HG21 VAL 33 -11.802 -2.609 -0.448
197 HG22 VAL 33 HG22 VAL 33 -10.987 -1.073 -0.738
198 HG23 VAL 33 HG23 VAL 33 -11.772 -1.376 0.811
199 H CYS 34 HN CYS 34 -6.845 -0.657 1.976
200 HA CYS 34 HA CYS 34 -4.813 -2.239 0.810
201 HB2 CYS 34 HB2 CYS 34 -4.203 -0.215 1.918
202 HB3 CYS 34 HB1 CYS 34 -4.941 -0.738 3.427
203 H CYS 35 HN CYS 35 -5.148 -4.398 0.812
204 HA CYS 35 HA CYS 35 -6.331 -5.957 2.770
205 HB2 CYS 35 HB2 CYS 35 -4.945 -6.425 0.369
206 HB3 CYS 35 HB1 CYS 35 -4.095 -7.367 1.590
207 H ASP 36 HN ASP 36 -5.847 -5.853 4.844
208 HA ASP 36 HA ASP 36 -3.093 -5.501 5.712
209 HB2 ASP 36 HB2 ASP 36 -3.941 -4.826 7.781
210 HB3 ASP 36 HB1 ASP 36 -5.133 -4.222 6.634
211 H ASP 37 HN ASP 37 -5.370 -8.076 5.374
212 HA ASP 37 HA ASP 37 -4.743 -9.772 7.452
213 HB2 ASP 37 HB2 ASP 37 -5.379 -11.611 5.986
214 HB3 ASP 37 HB1 ASP 37 -6.454 -10.242 5.717
215 H MET 38 HN MET 38 -2.992 -9.164 4.470
216 HA MET 38 HA MET 38 -0.636 -10.467 5.639
217 HB2 MET 38 HB2 MET 38 -1.586 -10.687 2.777
218 HB3 MET 38 HB1 MET 38 -0.018 -11.242 3.349
219 HG2 MET 38 HG2 MET 38 -2.489 -12.244 4.673
220 HG3 MET 38 HG1 MET 38 -2.019 -12.899 3.105
221 HE1 MET 38 HE1 MET 38 -1.586 -15.622 4.710
222 HE2 MET 38 HE2 MET 38 -0.007 -15.669 3.923
223 HE3 MET 38 HE3 MET 38 -1.378 -14.912 3.109
224 H GLN 39 HN GLN 39 -0.622 -9.162 2.412
225 HA GLN 39 HA GLN 39 0.183 -6.525 3.197
226 HB2 GLN 39 HB2 GLN 39 2.326 -7.278 1.537
227 HB3 GLN 39 HB1 GLN 39 2.400 -6.834 3.235
228 HG2 GLN 39 HG2 GLN 39 2.167 -9.138 3.897
229 HG3 GLN 39 HG1 GLN 39 1.937 -9.628 2.219
230 HE21 GLN 39 HE21 GLN 39 3.680 -9.908 0.921
231 HE22 GLN 39 HE22 GLN 39 5.315 -9.770 1.460
232 H HIS 40 HN HIS 40 -1.711 -6.096 1.837
233 HA HIS 40 HA HIS 40 -0.936 -5.836 -0.942
234 HB2 HIS 40 HB2 HIS 40 -2.473 -8.102 -0.093
235 HB3 HIS 40 HB1 HIS 40 -3.445 -7.099 -1.167
236 HD1 HIS 40 HD1 HIS 40 -2.285 -6.564 -3.555
237 HD2 HIS 40 HD2 HIS 40 -0.667 -9.697 -1.356
238 HE1 HIS 40 HE1 HIS 40 -0.925 -7.902 -5.192
239 HE2 HIS 40 HE2 HIS 40 0.155 -9.709 -3.809
240 H CYS 41 HN CYS 41 -3.157 -5.333 -2.222
241 HA CYS 41 HA CYS 41 -4.818 -3.473 -0.726
242 HB2 CYS 41 HB2 CYS 41 -2.734 -2.265 -1.609
243 HB3 CYS 41 HB1 CYS 41 -3.414 -2.512 -3.213
244 H CYS 42 HN CYS 42 -6.757 -2.909 -1.810
245 HA CYS 42 HA CYS 42 -7.337 -4.498 -4.222
246 HB2 CYS 42 HB2 CYS 42 -8.734 -4.407 -1.617
247 HB3 CYS 42 HB1 CYS 42 -9.775 -4.337 -3.034
248 HA PRO 43 HA PRO 43 -8.439 -0.616 -6.057
249 HB2 PRO 43 HB2 PRO 43 -10.414 -2.262 -7.558
250 HB3 PRO 43 HB1 PRO 43 -9.188 -1.141 -8.163
251 HG2 PRO 43 HG2 PRO 43 -8.797 -3.750 -8.367
252 HG3 PRO 43 HG1 PRO 43 -7.464 -2.678 -7.889
253 HD2 PRO 43 HD2 PRO 43 -9.156 -4.465 -6.179
254 HD3 PRO 43 HD1 PRO 43 -7.404 -4.176 -6.117
255 H ALA 44 HN ALA 44 -9.761 0.930 -5.428
256 HA ALA 44 HA ALA 44 -11.689 0.797 -3.536
257 HB1 ALA 44 HB1 ALA 44 -11.962 2.733 -5.814
258 HB2 ALA 44 HB2 ALA 44 -10.665 2.861 -4.626
259 HB3 ALA 44 HB3 ALA 44 -12.349 2.974 -4.110
260 H GLY 45 HN GLY 45 -13.542 -0.236 -3.376
261 HA2 GLY 45 HA2 GLY 45 -15.849 -0.390 -4.150
262 HA3 GLY 45 HA1 GLY 45 -15.225 -0.478 -5.790
263 H TYR 46 HN TYR 46 -13.098 -2.325 -4.223
264 HA TYR 46 HA TYR 46 -14.741 -4.748 -4.555
265 HB2 TYR 46 HB2 TYR 46 -11.777 -4.360 -5.015
266 HB3 TYR 46 HB1 TYR 46 -12.593 -5.919 -5.059
267 HD1 TYR 46 HD1 TYR 46 -14.985 -5.507 -6.563
268 HD2 TYR 46 HD2 TYR 46 -11.157 -3.746 -7.147
269 HE1 TYR 46 HE1 TYR 46 -15.510 -5.169 -8.943
270 HE2 TYR 46 HE2 TYR 46 -11.671 -3.401 -9.527
271 HH TYR 46 HH TYR 46 -14.858 -4.157 -10.848
272 H LYS 47 HN LYS 47 -13.775 -6.661 -3.315
273 HA LYS 47 HA LYS 47 -12.998 -5.763 -0.619
274 HB2 LYS 47 HB2 LYS 47 -15.378 -6.859 -1.193
275 HB3 LYS 47 HB1 LYS 47 -14.452 -8.331 -0.937
276 HG2 LYS 47 HG2 LYS 47 -13.934 -6.419 1.153
277 HG3 LYS 47 HG1 LYS 47 -15.663 -6.741 0.997
278 HD2 LYS 47 HD2 LYS 47 -13.688 -8.993 1.038
279 HD3 LYS 47 HD1 LYS 47 -14.234 -8.250 2.543
280 HE2 LYS 47 HE2 LYS 47 -16.402 -8.985 2.276
281 HE3 LYS 47 HE1 LYS 47 -16.253 -9.112 0.524
282 HZ1 LYS 47 HZ1 LYS 47 -15.366 -11.172 0.657
283 HZ2 LYS 47 HZ2 LYS 47 -16.227 -11.216 2.112
284 HZ3 LYS 47 HZ3 LYS 47 -14.571 -10.879 2.121
285 H CYS 48 HN CYS 48 -11.703 -7.214 0.625
286 HA CYS 48 HA CYS 48 -9.772 -8.638 -0.998
287 HB2 CYS 48 HB2 CYS 48 -9.876 -7.558 1.746
288 HB3 CYS 48 HB1 CYS 48 -8.952 -9.045 1.568
289 H GLY 49 HN GLY 49 -9.178 -10.833 -0.693
290 HA2 GLY 49 HA2 GLY 49 -10.898 -12.508 0.952
291 HA3 GLY 49 HA1 GLY 49 -11.033 -12.747 -0.783
292 HA PRO 50 HA PRO 50 -7.547 -15.342 1.223
293 HB2 PRO 50 HB2 PRO 50 -9.169 -17.553 0.110
294 HB3 PRO 50 HB1 PRO 50 -8.382 -17.418 1.686
295 HG2 PRO 50 HG2 PRO 50 -11.037 -17.218 1.442
296 HG3 PRO 50 HG1 PRO 50 -10.140 -16.231 2.610
297 HD2 PRO 50 HD2 PRO 50 -11.262 -15.466 -0.055
298 HD3 PRO 50 HD1 PRO 50 -11.219 -14.539 1.459
299 H GLY 51 HN GLY 51 -5.845 -16.078 0.024
300 HA2 GLY 51 HA2 GLY 51 -4.789 -17.006 -1.869
301 HA3 GLY 51 HA1 GLY 51 -6.256 -16.730 -2.796
302 H GLY 52 HN GLY 52 -5.232 -14.082 -0.891
303 HA2 GLY 52 HA2 GLY 52 -4.475 -11.996 -1.468
304 HA3 GLY 52 HA1 GLY 52 -3.283 -12.861 -2.422
305 H THR 53 HN THR 53 -6.808 -12.594 -2.815
306 HA THR 53 HA THR 53 -6.348 -11.200 -5.363
307 HB THR 53 HB THR 53 -8.276 -12.549 -6.315
308 HG1 THR 53 HG1 THR 53 -9.188 -13.887 -4.960
309 HG21 THR 53 HG21 THR 53 -6.861 -14.345 -7.033
310 HG22 THR 53 HG22 THR 53 -5.822 -14.163 -5.621
311 HG23 THR 53 HG23 THR 53 -5.854 -12.907 -6.859
312 H CYS 54 HN CYS 54 -8.052 -9.878 -6.088
313 HA CYS 54 HA CYS 54 -9.792 -8.943 -3.932
314 HB2 CYS 54 HB2 CYS 54 -9.050 -7.730 -6.601
315 HB3 CYS 54 HB1 CYS 54 -10.217 -7.014 -5.495
316 H ILE 55 HN ILE 55 -11.894 -9.438 -3.878
317 HA ILE 55 HA ILE 55 -13.118 -10.543 -6.317
318 HB ILE 55 HB ILE 55 -14.780 -11.578 -4.707
319 HG12 ILE 55 HG12 ILE 55 -12.633 -11.104 -2.643
320 HG13 ILE 55 HG11 ILE 55 -14.018 -10.029 -2.809
321 HG21 ILE 55 HG21 ILE 55 -13.597 -13.482 -4.820
322 HG22 ILE 55 HG22 ILE 55 -12.208 -12.789 -3.984
323 HG23 ILE 55 HG23 ILE 55 -12.432 -12.501 -5.709
324 HD11 ILE 55 HD11 ILE 55 -15.160 -11.371 -1.481
325 HD12 ILE 55 HD12 ILE 55 -13.819 -12.515 -1.431
326 HD13 ILE 55 HD13 ILE 55 -15.041 -12.644 -2.696
327 H SER 56 HN SER 56 -15.274 -9.983 -6.828
328 HA SER 56 HA SER 56 -15.951 -7.272 -6.119
329 HB2 SER 56 HB2 SER 56 -17.431 -7.310 -7.922
330 HB3 SER 56 HB1 SER 56 -16.181 -8.441 -8.441
331 HG SER 56 HG SER 56 -18.358 -9.220 -8.713
Start of MODEL 5
1 H1 ASP 1 HT1 ASP 1 2.244 15.637 -4.211
2 H2 ASP 1 HT2 ASP 1 3.876 15.729 -3.776
3 H3 ASP 1 HT3 ASP 1 2.682 16.223 -2.685
4 HA ASP 1 HA ASP 1 2.839 13.454 -3.701
5 HB2 ASP 1 HB2 ASP 1 4.212 14.718 -1.323
6 HB3 ASP 1 HB1 ASP 1 3.975 12.979 -1.478
7 H VAL 2 HN VAL 2 2.297 12.219 -1.339
8 HA VAL 2 HA VAL 2 -0.166 13.442 -0.313
9 HB VAL 2 HB VAL 2 -0.047 10.531 -1.097
10 HG11 VAL 2 HG11 VAL 2 -1.731 11.835 0.616
11 HG12 VAL 2 HG12 VAL 2 -2.107 10.340 -0.241
12 HG13 VAL 2 HG13 VAL 2 -2.626 11.891 -0.902
13 HG21 VAL 2 HG21 VAL 2 -1.809 12.210 -2.686
14 HG22 VAL 2 HG22 VAL 2 -0.654 10.979 -3.197
15 HG23 VAL 2 HG23 VAL 2 -0.107 12.627 -2.887
16 H GLN 3 HN GLN 3 1.522 13.815 1.389
17 HA GLN 3 HA GLN 3 2.973 12.345 2.955
18 HB2 GLN 3 HB2 GLN 3 0.686 13.998 4.029
19 HB3 GLN 3 HB1 GLN 3 2.064 13.455 4.978
20 HG2 GLN 3 HG2 GLN 3 3.566 14.748 3.578
21 HG3 GLN 3 HG1 GLN 3 2.209 15.258 2.572
22 HE21 GLN 3 HE21 GLN 3 0.386 16.287 3.876
23 HE22 GLN 3 HE22 GLN 3 0.866 17.446 5.064
24 H CYS 4 HN CYS 4 2.848 10.215 3.272
25 HA CYS 4 HA CYS 4 0.477 8.742 3.638
26 HB2 CYS 4 HB2 CYS 4 3.347 8.079 4.320
27 HB3 CYS 4 HB1 CYS 4 2.025 6.921 4.399
28 H GLY 5 HN GLY 5 2.601 10.388 5.864
29 HA2 GLY 5 HA2 GLY 5 1.118 10.989 7.917
30 HA3 GLY 5 HA1 GLY 5 1.151 9.250 8.154
31 H GLY 6 HN GLY 6 3.481 11.876 7.496
32 HA2 GLY 6 HA2 GLY 6 5.491 12.380 8.489
33 HA3 GLY 6 HA1 GLY 6 4.884 11.553 9.917
34 H GLY 7 HN GLY 7 6.054 10.728 6.647
35 HA2 GLY 7 HA2 GLY 7 8.290 9.295 7.428
36 HA3 GLY 7 HA1 GLY 7 6.960 8.146 7.426
37 H PHE 8 HN PHE 8 5.761 7.866 5.407
38 HA PHE 8 HA PHE 8 7.582 8.082 3.120
39 HB2 PHE 8 HB2 PHE 8 5.454 6.208 3.944
40 HB3 PHE 8 HB1 PHE 8 5.548 6.543 2.220
41 HD1 PHE 8 HD1 PHE 8 7.629 5.504 5.118
42 HD2 PHE 8 HD2 PHE 8 7.076 5.394 0.899
43 HE1 PHE 8 HE1 PHE 8 9.476 3.890 4.922
44 HE2 PHE 8 HE2 PHE 8 8.922 3.779 0.696
45 HZ PHE 8 HZ PHE 8 10.124 3.025 2.709
46 H SER 9 HN SER 9 6.057 7.986 0.980
47 HA SER 9 HA SER 9 3.930 9.949 1.086
48 HB2 SER 9 HB2 SER 9 5.271 11.140 -0.906
49 HB3 SER 9 HB1 SER 9 5.455 11.631 0.778
50 HG SER 9 HG SER 9 7.114 9.754 -0.556
51 H CYS 10 HN CYS 10 2.715 10.077 -0.873
52 HA CYS 10 HA CYS 10 3.274 7.925 -2.799
53 HB2 CYS 10 HB2 CYS 10 0.844 8.450 -1.198
54 HB3 CYS 10 HB1 CYS 10 0.567 8.081 -2.895
55 H HIS 11 HN HIS 11 2.754 8.329 -4.932
56 HA HIS 11 HA HIS 11 2.634 11.132 -5.653
57 HB2 HIS 11 HB2 HIS 11 3.959 9.082 -6.764
58 HB3 HIS 11 HB1 HIS 11 2.500 9.026 -7.748
59 HD1 HIS 11 HD1 HIS 11 2.249 10.777 -9.548
60 HD2 HIS 11 HD2 HIS 11 5.442 11.531 -6.999
61 HE1 HIS 11 HE1 HIS 11 3.515 12.676 -10.602
62 HE2 HIS 11 HE2 HIS 11 5.372 13.192 -8.979
63 H ASP 12 HN ASP 12 1.203 11.610 -7.703
64 HA ASP 12 HA ASP 12 -1.458 11.593 -6.892
65 HB2 ASP 12 HB2 ASP 12 -0.007 12.283 -9.385
66 HB3 ASP 12 HB1 ASP 12 -1.738 11.997 -9.541
67 H GLY 13 HN GLY 13 -2.991 10.091 -6.926
68 HA2 GLY 13 HA2 GLY 13 -4.304 8.423 -7.992
69 HA3 GLY 13 HA1 GLY 13 -2.917 8.006 -8.989
70 H GLU 14 HN GLU 14 -1.292 8.140 -6.379
71 HA GLU 14 HA GLU 14 -1.754 5.347 -5.674
72 HB2 GLU 14 HB2 GLU 14 0.489 6.817 -4.428
73 HB3 GLU 14 HB1 GLU 14 0.448 5.205 -5.125
74 HG2 GLU 14 HG2 GLU 14 0.095 7.065 -7.230
75 HG3 GLU 14 HG1 GLU 14 1.453 7.607 -6.243
76 H THR 15 HN THR 15 -1.849 4.646 -3.497
77 HA THR 15 HA THR 15 -2.780 6.697 -1.601
78 HB THR 15 HB THR 15 -3.875 3.922 -2.081
79 HG1 THR 15 HG1 THR 15 -4.984 6.547 -2.152
80 HG21 THR 15 HG21 THR 15 -4.315 5.779 0.256
81 HG22 THR 15 HG22 THR 15 -3.769 4.102 0.291
82 HG23 THR 15 HG23 THR 15 -5.430 4.479 -0.167
83 H CYS 16 HN CYS 16 -2.180 6.465 0.545
84 HA CYS 16 HA CYS 16 0.155 4.784 0.977
85 HB2 CYS 16 HB2 CYS 16 -1.096 6.962 2.661
86 HB3 CYS 16 HB1 CYS 16 0.360 6.077 3.103
87 H CYS 17 HN CYS 17 -0.033 2.839 1.855
88 HA CYS 17 HA CYS 17 -2.253 2.343 3.720
89 HB2 CYS 17 HB2 CYS 17 -2.955 0.691 2.391
90 HB3 CYS 17 HB1 CYS 17 -1.650 1.025 1.262
91 HA PRO 18 HA PRO 18 1.173 1.238 6.361
92 HB2 PRO 18 HB2 PRO 18 -0.147 1.310 8.671
93 HB3 PRO 18 HB1 PRO 18 0.133 2.794 7.752
94 HG2 PRO 18 HG2 PRO 18 -2.351 1.160 8.000
95 HG3 PRO 18 HG1 PRO 18 -2.169 2.920 7.904
96 HD2 PRO 18 HD2 PRO 18 -2.825 1.206 5.778
97 HD3 PRO 18 HD1 PRO 18 -2.286 2.891 5.637
98 H THR 19 HN THR 19 1.267 -0.927 5.384
99 HA THR 19 HA THR 19 -0.371 -3.005 6.561
100 HB THR 19 HB THR 19 0.039 -3.407 4.290
101 HG1 THR 19 HG1 THR 19 1.044 -5.362 4.358
102 HG21 THR 19 HG21 THR 19 3.004 -3.040 4.701
103 HG22 THR 19 HG22 THR 19 1.934 -1.752 4.144
104 HG23 THR 19 HG23 THR 19 2.137 -3.212 3.175
105 H SER 20 HN SER 20 2.226 -1.347 7.628
106 HA SER 20 HA SER 20 2.955 -3.460 9.474
107 HB2 SER 20 HB2 SER 20 5.199 -2.057 8.044
108 HB3 SER 20 HB1 SER 20 5.256 -3.534 9.006
109 HG SER 20 HG SER 20 5.141 -4.447 7.109
110 H GLN 21 HN GLN 21 2.277 -0.310 8.790
111 HA GLN 21 HA GLN 21 2.108 1.540 10.100
112 HB2 GLN 21 HB2 GLN 21 2.989 -0.471 12.084
113 HB3 GLN 21 HB1 GLN 21 3.280 1.210 12.507
114 HG2 GLN 21 HG2 GLN 21 0.966 1.735 12.349
115 HG3 GLN 21 HG1 GLN 21 0.598 0.160 11.646
116 HE21 GLN 21 HE21 GLN 21 2.107 -1.461 13.317
117 HE22 GLN 21 HE22 GLN 21 1.425 -1.422 14.903
118 H THR 22 HN THR 22 5.199 -0.126 10.001
119 HA THR 22 HA THR 22 6.618 2.422 10.253
120 HB THR 22 HB THR 22 8.675 1.027 10.335
121 HG1 THR 22 HG1 THR 22 7.389 -0.789 9.209
122 HG21 THR 22 HG21 THR 22 8.463 0.624 12.570
123 HG22 THR 22 HG22 THR 22 6.905 -0.182 12.389
124 HG23 THR 22 HG23 THR 22 6.998 1.578 12.336
125 H THR 23 HN THR 23 5.714 0.000 7.960
126 HA THR 23 HA THR 23 7.334 1.346 5.896
127 HB THR 23 HB THR 23 6.519 -1.072 4.792
128 HG1 THR 23 HG1 THR 23 6.267 -1.427 7.323
129 HG21 THR 23 HG21 THR 23 8.656 -0.846 4.199
130 HG22 THR 23 HG22 THR 23 9.109 -1.467 5.786
131 HG23 THR 23 HG23 THR 23 8.956 0.271 5.531
132 H TRP 24 HN TRP 24 6.054 2.729 4.864
133 HA TRP 24 HA TRP 24 3.228 2.175 4.496
134 HB2 TRP 24 HB2 TRP 24 5.012 4.545 4.064
135 HB3 TRP 24 HB1 TRP 24 3.433 4.491 3.288
136 HD1 TRP 24 HD1 TRP 24 5.087 5.017 6.658
137 HE1 TRP 24 HE1 TRP 24 3.297 5.724 8.370
138 HE3 TRP 24 HE3 TRP 24 0.918 4.167 3.849
139 HZ2 TRP 24 HZ2 TRP 24 0.478 5.893 8.503
140 HZ3 TRP 24 HZ3 TRP 24 -1.289 4.621 4.835
141 HH2 TRP 24 HH2 TRP 24 -1.502 5.465 7.110
142 H GLY 25 HN GLY 25 2.222 1.720 2.581
143 HA2 GLY 25 HA2 GLY 25 4.006 1.311 0.255
144 HA3 GLY 25 HA1 GLY 25 2.616 0.298 0.611
145 H CYS 26 HN CYS 26 3.306 1.852 -1.808
146 HA CYS 26 HA CYS 26 1.127 3.817 -1.881
147 HB2 CYS 26 HB2 CYS 26 3.629 3.418 -3.436
148 HB3 CYS 26 HB1 CYS 26 2.251 4.083 -4.304
149 H CYS 27 HN CYS 27 -0.732 3.396 -2.923
150 HA CYS 27 HA CYS 27 -0.802 1.089 -4.750
151 HB2 CYS 27 HB2 CYS 27 -2.465 1.690 -2.365
152 HB3 CYS 27 HB1 CYS 27 -3.276 0.969 -3.751
153 HA PRO 28 HA PRO 28 -2.464 4.274 -7.458
154 HB2 PRO 28 HB2 PRO 28 -2.856 2.612 -9.592
155 HB3 PRO 28 HB1 PRO 28 -1.294 3.327 -9.181
156 HG2 PRO 28 HG2 PRO 28 -2.344 0.590 -8.577
157 HG3 PRO 28 HG1 PRO 28 -0.731 1.072 -9.139
158 HD2 PRO 28 HD2 PRO 28 -1.218 0.479 -6.560
159 HD3 PRO 28 HD1 PRO 28 -0.057 1.739 -7.028
160 H SER 29 HN SER 29 -4.367 4.320 -6.022
161 HA SER 29 HA SER 29 -6.755 3.905 -7.411
162 HB2 SER 29 HB2 SER 29 -5.884 1.650 -5.723
163 HB3 SER 29 HB1 SER 29 -7.533 2.197 -5.422
164 HG SER 29 HG SER 29 -6.869 0.583 -7.268
165 HA PRO 30 HA PRO 30 -7.678 7.237 -4.604
166 HB2 PRO 30 HB2 PRO 30 -10.448 6.200 -5.080
167 HB3 PRO 30 HB1 PRO 30 -9.851 7.864 -5.108
168 HG2 PRO 30 HG2 PRO 30 -10.285 6.566 -7.381
169 HG3 PRO 30 HG1 PRO 30 -8.867 7.617 -7.200
170 HD2 PRO 30 HD2 PRO 30 -9.033 4.644 -7.217
171 HD3 PRO 30 HD1 PRO 30 -7.729 5.708 -7.781
172 H LYS 31 HN LYS 31 -10.543 5.492 -3.786
173 HA LYS 31 HA LYS 31 -9.626 5.258 -1.047
174 HB2 LYS 31 HB2 LYS 31 -12.309 4.445 -2.167
175 HB3 LYS 31 HB1 LYS 31 -11.908 4.775 -0.487
176 HG2 LYS 31 HG2 LYS 31 -11.800 7.072 -0.835
177 HG3 LYS 31 HG1 LYS 31 -11.631 6.895 -2.582
178 HD2 LYS 31 HD2 LYS 31 -13.870 6.578 -2.905
179 HD3 LYS 31 HD1 LYS 31 -14.104 5.845 -1.317
180 HE2 LYS 31 HE2 LYS 31 -13.721 8.771 -1.931
181 HE3 LYS 31 HE1 LYS 31 -15.194 7.989 -1.358
182 HZ1 LYS 31 HZ1 LYS 31 -14.339 8.842 0.572
183 HZ2 LYS 31 HZ2 LYS 31 -12.729 8.606 0.115
184 HZ3 LYS 31 HZ3 LYS 31 -13.670 7.289 0.606
185 H ALA 32 HN ALA 32 -8.118 3.601 -2.529
186 HA ALA 32 HA ALA 32 -9.011 1.005 -2.976
187 HB1 ALA 32 HB1 ALA 32 -6.737 0.368 -3.092
188 HB2 ALA 32 HB2 ALA 32 -6.236 1.699 -2.048
189 HB3 ALA 32 HB3 ALA 32 -6.817 2.030 -3.680
190 H VAL 33 HN VAL 33 -8.400 -0.953 -1.777
191 HA VAL 33 HA VAL 33 -8.649 -0.584 1.134
192 HB VAL 33 HB VAL 33 -9.370 -3.240 0.216
193 HG11 VAL 33 HG11 VAL 33 -10.870 -1.103 1.725
194 HG12 VAL 33 HG12 VAL 33 -9.886 -2.390 2.423
195 HG13 VAL 33 HG13 VAL 33 -11.376 -2.785 1.566
196 HG21 VAL 33 HG21 VAL 33 -11.420 -1.259 -0.621
197 HG22 VAL 33 HG22 VAL 33 -11.108 -2.888 -1.219
198 HG23 VAL 33 HG23 VAL 33 -10.065 -1.554 -1.710
199 H CYS 34 HN CYS 34 -6.600 -0.763 1.833
200 HA CYS 34 HA CYS 34 -4.686 -2.506 0.643
201 HB2 CYS 34 HB2 CYS 34 -3.766 -0.570 1.563
202 HB3 CYS 34 HB1 CYS 34 -4.700 -0.712 3.048
203 H CYS 35 HN CYS 35 -4.809 -4.647 0.840
204 HA CYS 35 HA CYS 35 -6.101 -6.015 2.943
205 HB2 CYS 35 HB2 CYS 35 -5.011 -6.733 0.497
206 HB3 CYS 35 HB1 CYS 35 -3.960 -7.539 1.657
207 H ASP 36 HN ASP 36 -5.472 -6.338 4.945
208 HA ASP 36 HA ASP 36 -2.732 -5.684 5.699
209 HB2 ASP 36 HB2 ASP 36 -5.234 -6.033 7.347
210 HB3 ASP 36 HB1 ASP 36 -3.649 -5.671 8.023
211 H ASP 37 HN ASP 37 -4.559 -8.538 5.157
212 HA ASP 37 HA ASP 37 -3.737 -10.237 7.166
213 HB2 ASP 37 HB2 ASP 37 -4.217 -10.691 4.226
214 HB3 ASP 37 HB1 ASP 37 -3.759 -12.013 5.296
215 H MET 38 HN MET 38 -2.026 -9.242 4.255
216 HA MET 38 HA MET 38 0.489 -10.100 5.490
217 HB2 MET 38 HB2 MET 38 -0.654 -11.005 2.912
218 HB3 MET 38 HB1 MET 38 1.045 -10.554 2.876
219 HG2 MET 38 HG2 MET 38 -0.203 -12.596 4.698
220 HG3 MET 38 HG1 MET 38 0.767 -12.934 3.266
221 HE1 MET 38 HE1 MET 38 3.203 -11.889 2.993
222 HE2 MET 38 HE2 MET 38 3.284 -13.564 3.539
223 HE3 MET 38 HE3 MET 38 4.336 -12.347 4.263
224 H GLN 39 HN GLN 39 0.080 -8.912 2.209
225 HA GLN 39 HA GLN 39 0.570 -6.177 2.915
226 HB2 GLN 39 HB2 GLN 39 2.630 -6.296 1.216
227 HB3 GLN 39 HB1 GLN 39 2.834 -6.488 2.951
228 HG2 GLN 39 HG2 GLN 39 3.525 -8.592 2.743
229 HG3 GLN 39 HG1 GLN 39 2.238 -8.995 1.608
230 HE21 GLN 39 HE21 GLN 39 2.554 -8.439 -0.626
231 HE22 GLN 39 HE22 GLN 39 4.153 -8.380 -1.279
232 H HIS 40 HN HIS 40 -1.497 -6.060 1.764
233 HA HIS 40 HA HIS 40 -1.032 -5.871 -1.118
234 HB2 HIS 40 HB2 HIS 40 -2.572 -8.002 0.126
235 HB3 HIS 40 HB1 HIS 40 -3.499 -7.116 -1.080
236 HD1 HIS 40 HD1 HIS 40 -2.133 -6.861 -3.479
237 HD2 HIS 40 HD2 HIS 40 -1.046 -9.962 -0.937
238 HE1 HIS 40 HE1 HIS 40 -0.894 -8.508 -4.919
239 HE2 HIS 40 HE2 HIS 40 -0.190 -10.346 -3.346
240 H CYS 41 HN CYS 41 -3.386 -5.431 -2.148
241 HA CYS 41 HA CYS 41 -5.203 -3.810 -0.752
242 HB2 CYS 41 HB2 CYS 41 -4.536 -1.637 -1.152
243 HB3 CYS 41 HB1 CYS 41 -2.971 -2.404 -0.900
244 H CYS 42 HN CYS 42 -6.794 -2.808 -2.207
245 HA CYS 42 HA CYS 42 -6.590 -3.608 -5.010
246 HB2 CYS 42 HB2 CYS 42 -8.527 -4.723 -3.043
247 HB3 CYS 42 HB1 CYS 42 -9.110 -4.390 -4.670
248 HA PRO 43 HA PRO 43 -8.547 0.178 -6.045
249 HB2 PRO 43 HB2 PRO 43 -10.519 -1.377 -7.648
250 HB3 PRO 43 HB1 PRO 43 -9.481 -0.031 -8.135
251 HG2 PRO 43 HG2 PRO 43 -8.875 -2.502 -8.875
252 HG3 PRO 43 HG1 PRO 43 -7.600 -1.388 -8.340
253 HD2 PRO 43 HD2 PRO 43 -8.892 -3.641 -6.852
254 HD3 PRO 43 HD1 PRO 43 -7.185 -3.151 -6.893
255 H ALA 44 HN ALA 44 -10.008 1.468 -5.174
256 HA ALA 44 HA ALA 44 -11.640 0.897 -3.102
257 HB1 ALA 44 HB1 ALA 44 -12.407 3.028 -3.245
258 HB2 ALA 44 HB2 ALA 44 -12.733 2.915 -4.975
259 HB3 ALA 44 HB3 ALA 44 -11.082 3.157 -4.401
260 H GLY 45 HN GLY 45 -13.350 -0.345 -2.802
261 HA2 GLY 45 HA2 GLY 45 -15.699 -0.730 -3.379
262 HA3 GLY 45 HA1 GLY 45 -15.206 -0.736 -5.065
263 H TYR 46 HN TYR 46 -12.731 -2.347 -3.894
264 HA TYR 46 HA TYR 46 -14.076 -4.932 -4.238
265 HB2 TYR 46 HB2 TYR 46 -11.199 -4.066 -4.492
266 HB3 TYR 46 HB1 TYR 46 -11.659 -5.762 -4.434
267 HD1 TYR 46 HD1 TYR 46 -11.716 -6.794 -6.480
268 HD2 TYR 46 HD2 TYR 46 -12.842 -2.699 -6.245
269 HE1 TYR 46 HE1 TYR 46 -12.126 -6.774 -8.904
270 HE2 TYR 46 HE2 TYR 46 -13.256 -2.668 -8.670
271 HH TYR 46 HH TYR 46 -13.643 -4.080 -10.491
272 H LYS 47 HN LYS 47 -13.115 -6.770 -2.937
273 HA LYS 47 HA LYS 47 -12.425 -5.898 -0.212
274 HB2 LYS 47 HB2 LYS 47 -14.895 -6.820 -0.820
275 HB3 LYS 47 HB1 LYS 47 -14.084 -8.334 -0.448
276 HG2 LYS 47 HG2 LYS 47 -13.463 -6.360 1.542
277 HG3 LYS 47 HG1 LYS 47 -15.210 -6.517 1.346
278 HD2 LYS 47 HD2 LYS 47 -13.525 -8.974 1.546
279 HD3 LYS 47 HD1 LYS 47 -13.920 -8.071 3.010
280 HE2 LYS 47 HE2 LYS 47 -16.108 -8.751 1.107
281 HE3 LYS 47 HE1 LYS 47 -15.466 -10.022 2.147
282 HZ1 LYS 47 HZ1 LYS 47 -16.377 -7.413 3.210
283 HZ2 LYS 47 HZ2 LYS 47 -16.085 -8.842 4.064
284 HZ3 LYS 47 HZ3 LYS 47 -17.420 -8.733 3.033
285 H CYS 48 HN CYS 48 -11.420 -7.610 1.107
286 HA CYS 48 HA CYS 48 -9.506 -9.088 -0.487
287 HB2 CYS 48 HB2 CYS 48 -9.788 -8.485 2.444
288 HB3 CYS 48 HB1 CYS 48 -8.659 -9.716 1.888
289 H GLY 49 HN GLY 49 -9.458 -11.247 -0.800
290 HA2 GLY 49 HA2 GLY 49 -11.615 -12.814 0.471
291 HA3 GLY 49 HA1 GLY 49 -10.990 -13.121 -1.141
292 HA PRO 50 HA PRO 50 -8.746 -15.688 2.172
293 HB2 PRO 50 HB2 PRO 50 -9.901 -18.097 1.750
294 HB3 PRO 50 HB1 PRO 50 -10.550 -16.920 2.896
295 HG2 PRO 50 HG2 PRO 50 -11.434 -17.536 0.105
296 HG3 PRO 50 HG1 PRO 50 -12.415 -17.228 1.550
297 HD2 PRO 50 HD2 PRO 50 -11.944 -15.348 -0.367
298 HD3 PRO 50 HD1 PRO 50 -12.234 -14.949 1.338
299 H GLY 51 HN GLY 51 -9.659 -16.195 -1.169
300 HA2 GLY 51 HA2 GLY 51 -7.509 -18.076 -1.659
301 HA3 GLY 51 HA1 GLY 51 -8.638 -17.449 -2.848
302 H GLY 52 HN GLY 52 -6.966 -15.217 -0.792
303 HA2 GLY 52 HA2 GLY 52 -5.301 -13.688 -1.202
304 HA3 GLY 52 HA1 GLY 52 -4.657 -14.823 -2.378
305 H THR 53 HN THR 53 -7.874 -14.069 -3.027
306 HA THR 53 HA THR 53 -7.048 -12.061 -5.022
307 HB THR 53 HB THR 53 -9.050 -12.846 -6.344
308 HG1 THR 53 HG1 THR 53 -9.803 -14.053 -4.299
309 HG21 THR 53 HG21 THR 53 -7.630 -14.101 -7.530
310 HG22 THR 53 HG22 THR 53 -7.483 -15.288 -6.235
311 HG23 THR 53 HG23 THR 53 -6.466 -13.847 -6.229
312 H CYS 54 HN CYS 54 -8.820 -10.559 -5.683
313 HA CYS 54 HA CYS 54 -10.302 -9.735 -3.294
314 HB2 CYS 54 HB2 CYS 54 -9.283 -8.269 -5.701
315 HB3 CYS 54 HB1 CYS 54 -10.592 -7.587 -4.740
316 H ILE 55 HN ILE 55 -12.462 -9.035 -3.429
317 HA ILE 55 HA ILE 55 -13.962 -10.272 -5.644
318 HB ILE 55 HB ILE 55 -15.865 -10.067 -3.784
319 HG12 ILE 55 HG12 ILE 55 -13.350 -10.559 -2.174
320 HG13 ILE 55 HG11 ILE 55 -14.273 -9.062 -2.142
321 HG21 ILE 55 HG21 ILE 55 -15.667 -12.381 -3.466
322 HG22 ILE 55 HG22 ILE 55 -13.911 -12.340 -3.631
323 HG23 ILE 55 HG23 ILE 55 -14.936 -12.082 -5.043
324 HD11 ILE 55 HD11 ILE 55 -15.014 -10.178 -0.264
325 HD12 ILE 55 HD12 ILE 55 -14.997 -11.749 -1.064
326 HD13 ILE 55 HD13 ILE 55 -16.251 -10.573 -1.459
327 H SER 56 HN SER 56 -15.717 -9.203 -6.518
328 HA SER 56 HA SER 56 -15.580 -6.315 -6.361
329 HB2 SER 56 HB2 SER 56 -17.708 -6.987 -8.043
330 HB3 SER 56 HB1 SER 56 -16.064 -6.585 -8.536
331 HG SER 56 HG SER 56 -17.005 -9.187 -7.896
Start of MODEL 6
1 H1 ASP 1 HT1 ASP 1 3.248 16.383 -3.965
2 H2 ASP 1 HT2 ASP 1 4.923 16.167 -4.055
3 H3 ASP 1 HT3 ASP 1 4.198 16.550 -2.574
4 HA ASP 1 HA ASP 1 3.934 14.028 -4.104
5 HB2 ASP 1 HB2 ASP 1 4.891 13.099 -1.961
6 HB3 ASP 1 HB1 ASP 1 5.986 14.135 -2.870
7 H VAL 2 HN VAL 2 3.032 12.363 -2.282
8 HA VAL 2 HA VAL 2 0.524 13.552 -1.287
9 HB VAL 2 HB VAL 2 0.716 10.668 -2.095
10 HG11 VAL 2 HG11 VAL 2 -1.200 11.750 -0.743
11 HG12 VAL 2 HG12 VAL 2 -1.607 10.710 -2.108
12 HG13 VAL 2 HG13 VAL 2 -1.673 12.464 -2.284
13 HG21 VAL 2 HG21 VAL 2 -0.537 12.333 -4.103
14 HG22 VAL 2 HG22 VAL 2 0.698 11.087 -4.283
15 HG23 VAL 2 HG23 VAL 2 1.165 12.740 -3.889
16 H GLN 3 HN GLN 3 2.205 13.782 0.561
17 HA GLN 3 HA GLN 3 3.344 12.017 2.148
18 HB2 GLN 3 HB2 GLN 3 1.885 13.342 4.071
19 HB3 GLN 3 HB1 GLN 3 3.384 13.906 3.350
20 HG2 GLN 3 HG2 GLN 3 2.353 15.660 2.497
21 HG3 GLN 3 HG1 GLN 3 1.217 14.619 1.642
22 HE21 GLN 3 HE21 GLN 3 0.937 17.226 3.086
23 HE22 GLN 3 HE22 GLN 3 -0.368 16.976 4.192
24 H CYS 4 HN CYS 4 2.873 10.020 2.700
25 HA CYS 4 HA CYS 4 0.289 8.910 2.738
26 HB2 CYS 4 HB2 CYS 4 2.809 7.870 4.052
27 HB3 CYS 4 HB1 CYS 4 1.365 6.927 3.697
28 H GLY 5 HN GLY 5 2.442 8.923 5.554
29 HA2 GLY 5 HA2 GLY 5 0.498 10.233 7.229
30 HA3 GLY 5 HA1 GLY 5 0.651 8.509 7.541
31 H GLY 6 HN GLY 6 2.975 7.739 7.834
32 HA2 GLY 6 HA2 GLY 6 4.135 9.223 9.964
33 HA3 GLY 6 HA1 GLY 6 4.807 7.780 9.215
34 H GLY 7 HN GLY 7 5.635 8.241 6.864
35 HA2 GLY 7 HA2 GLY 7 6.648 10.891 6.413
36 HA3 GLY 7 HA1 GLY 7 7.885 9.787 6.988
37 H PHE 8 HN PHE 8 5.410 8.354 5.040
38 HA PHE 8 HA PHE 8 7.385 8.000 2.919
39 HB2 PHE 8 HB2 PHE 8 4.871 6.598 3.701
40 HB3 PHE 8 HB1 PHE 8 5.413 6.485 2.031
41 HD1 PHE 8 HD1 PHE 8 6.745 4.712 1.477
42 HD2 PHE 8 HD2 PHE 8 6.831 6.175 5.473
43 HE1 PHE 8 HE1 PHE 8 8.305 2.914 2.099
44 HE2 PHE 8 HE2 PHE 8 8.393 4.381 6.101
45 HZ PHE 8 HZ PHE 8 9.132 2.747 4.413
46 H SER 9 HN SER 9 6.192 7.791 0.638
47 HA SER 9 HA SER 9 4.111 9.631 0.076
48 HB2 SER 9 HB2 SER 9 6.013 10.986 -1.383
49 HB3 SER 9 HB1 SER 9 5.307 11.543 0.133
50 HG SER 9 HG SER 9 7.797 11.167 -0.262
51 H CYS 10 HN CYS 10 3.686 9.840 -2.236
52 HA CYS 10 HA CYS 10 5.198 8.140 -4.022
53 HB2 CYS 10 HB2 CYS 10 2.844 7.162 -2.734
54 HB3 CYS 10 HB1 CYS 10 2.517 7.344 -4.455
55 H HIS 11 HN HIS 11 3.553 7.977 -6.161
56 HA HIS 11 HA HIS 11 3.579 10.707 -7.079
57 HB2 HIS 11 HB2 HIS 11 3.622 8.064 -8.276
58 HB3 HIS 11 HB1 HIS 11 2.554 9.164 -9.142
59 HD1 HIS 11 HD1 HIS 11 4.116 11.765 -8.985
60 HD2 HIS 11 HD2 HIS 11 5.874 8.085 -9.782
61 HE1 HIS 11 HE1 HIS 11 6.259 12.291 -10.192
62 HE2 HIS 11 HE2 HIS 11 7.279 10.047 -10.715
63 H ASP 12 HN ASP 12 1.951 11.789 -8.138
64 HA ASP 12 HA ASP 12 -0.481 12.044 -6.877
65 HB2 ASP 12 HB2 ASP 12 0.039 12.650 -9.795
66 HB3 ASP 12 HB1 ASP 12 -1.223 13.355 -8.791
67 H GLY 13 HN GLY 13 -2.509 11.204 -7.096
68 HA2 GLY 13 HA2 GLY 13 -4.225 9.942 -8.094
69 HA3 GLY 13 HA1 GLY 13 -3.059 9.317 -9.253
70 H GLU 14 HN GLU 14 -1.503 9.054 -6.445
71 HA GLU 14 HA GLU 14 -2.266 6.236 -6.158
72 HB2 GLU 14 HB2 GLU 14 -0.180 5.858 -5.205
73 HB3 GLU 14 HB1 GLU 14 0.159 7.126 -6.377
74 HG2 GLU 14 HG2 GLU 14 1.240 8.003 -4.593
75 HG3 GLU 14 HG1 GLU 14 -0.360 8.675 -4.294
76 H THR 15 HN THR 15 -2.068 5.364 -3.872
77 HA THR 15 HA THR 15 -3.081 7.184 -1.823
78 HB THR 15 HB THR 15 -4.485 4.659 -2.711
79 HG1 THR 15 HG1 THR 15 -5.123 6.668 -3.669
80 HG21 THR 15 HG21 THR 15 -4.685 4.275 -0.472
81 HG22 THR 15 HG22 THR 15 -5.987 5.453 -0.642
82 HG23 THR 15 HG23 THR 15 -4.407 5.963 -0.047
83 H CYS 16 HN CYS 16 -2.212 6.726 0.169
84 HA CYS 16 HA CYS 16 -0.306 4.527 0.251
85 HB2 CYS 16 HB2 CYS 16 -0.773 6.827 2.154
86 HB3 CYS 16 HB1 CYS 16 0.489 5.610 2.341
87 H CYS 17 HN CYS 17 -0.400 2.819 1.616
88 HA CYS 17 HA CYS 17 -2.632 2.671 3.507
89 HB2 CYS 17 HB2 CYS 17 -2.194 0.993 1.119
90 HB3 CYS 17 HB1 CYS 17 -2.563 0.110 2.597
91 HA PRO 18 HA PRO 18 0.757 1.042 5.916
92 HB2 PRO 18 HB2 PRO 18 -0.457 1.014 8.294
93 HB3 PRO 18 HB1 PRO 18 -0.073 2.545 7.492
94 HG2 PRO 18 HG2 PRO 18 -2.687 1.103 7.673
95 HG3 PRO 18 HG1 PRO 18 -2.352 2.838 7.801
96 HD2 PRO 18 HD2 PRO 18 -3.259 1.552 5.514
97 HD3 PRO 18 HD1 PRO 18 -2.445 3.127 5.540
98 H THR 19 HN THR 19 0.932 -1.047 5.035
99 HA THR 19 HA THR 19 -0.962 -3.104 5.780
100 HB THR 19 HB THR 19 0.267 -4.578 4.366
101 HG1 THR 19 HG1 THR 19 2.354 -3.054 5.094
102 HG21 THR 19 HG21 THR 19 0.629 -3.041 2.292
103 HG22 THR 19 HG22 THR 19 -0.053 -1.789 3.329
104 HG23 THR 19 HG23 THR 19 -0.992 -3.235 2.959
105 H SER 20 HN SER 20 1.434 -1.660 7.441
106 HA SER 20 HA SER 20 1.765 -3.962 9.178
107 HB2 SER 20 HB2 SER 20 3.868 -3.025 7.403
108 HB3 SER 20 HB1 SER 20 4.363 -2.958 9.094
109 HG SER 20 HG SER 20 3.373 -5.209 7.679
110 H GLN 21 HN GLN 21 4.035 -1.345 9.330
111 HA GLN 21 HA GLN 21 2.502 0.395 10.973
112 HB2 GLN 21 HB2 GLN 21 3.455 -1.857 12.299
113 HB3 GLN 21 HB1 GLN 21 4.623 -0.605 12.696
114 HG2 GLN 21 HG2 GLN 21 3.148 -0.269 14.379
115 HG3 GLN 21 HG1 GLN 21 2.424 0.785 13.166
116 HE21 GLN 21 HE21 GLN 21 2.385 -2.721 13.709
117 HE22 GLN 21 HE22 GLN 21 0.665 -2.874 13.721
118 H THR 22 HN THR 22 5.547 -0.713 9.718
119 HA THR 22 HA THR 22 6.637 2.011 10.010
120 HB THR 22 HB THR 22 7.978 0.427 11.276
121 HG1 THR 22 HG1 THR 22 9.855 0.628 9.421
122 HG21 THR 22 HG21 THR 22 9.017 -1.491 10.330
123 HG22 THR 22 HG22 THR 22 8.531 -1.032 8.697
124 HG23 THR 22 HG23 THR 22 7.318 -1.564 9.862
125 H THR 23 HN THR 23 5.326 -0.094 7.843
126 HA THR 23 HA THR 23 6.901 0.999 5.603
127 HB THR 23 HB THR 23 5.485 -1.088 4.512
128 HG1 THR 23 HG1 THR 23 5.001 -1.655 6.808
129 HG21 THR 23 HG21 THR 23 7.726 -2.333 4.788
130 HG22 THR 23 HG22 THR 23 8.280 -0.859 5.582
131 HG23 THR 23 HG23 THR 23 7.725 -0.804 3.910
132 H TRP 24 HN TRP 24 5.649 1.287 3.566
133 HA TRP 24 HA TRP 24 2.798 1.780 3.940
134 HB2 TRP 24 HB2 TRP 24 4.858 3.892 3.411
135 HB3 TRP 24 HB1 TRP 24 3.242 4.070 2.734
136 HD1 TRP 24 HD1 TRP 24 5.150 4.286 5.996
137 HE1 TRP 24 HE1 TRP 24 3.586 5.170 7.840
138 HE3 TRP 24 HE3 TRP 24 0.744 4.097 3.452
139 HZ2 TRP 24 HZ2 TRP 24 0.831 5.715 8.163
140 HZ3 TRP 24 HZ3 TRP 24 -1.318 4.810 4.590
141 HH2 TRP 24 HH2 TRP 24 -1.269 5.602 6.895
142 H GLY 25 HN GLY 25 1.753 0.950 2.265
143 HA2 GLY 25 HA2 GLY 25 3.219 0.486 -0.232
144 HA3 GLY 25 HA1 GLY 25 1.727 -0.306 0.249
145 H CYS 26 HN CYS 26 2.554 1.209 -2.210
146 HA CYS 26 HA CYS 26 0.601 3.394 -2.159
147 HB2 CYS 26 HB2 CYS 26 2.695 2.700 -4.230
148 HB3 CYS 26 HB1 CYS 26 1.631 4.101 -4.284
149 H CYS 27 HN CYS 27 -1.274 3.298 -3.222
150 HA CYS 27 HA CYS 27 -1.723 1.041 -5.060
151 HB2 CYS 27 HB2 CYS 27 -3.052 1.632 -2.612
152 HB3 CYS 27 HB1 CYS 27 -4.195 1.915 -3.921
153 HA PRO 28 HA PRO 28 -2.990 4.263 -7.846
154 HB2 PRO 28 HB2 PRO 28 -3.719 2.762 -9.922
155 HB3 PRO 28 HB1 PRO 28 -2.034 2.813 -9.388
156 HG2 PRO 28 HG2 PRO 28 -4.110 0.717 -8.916
157 HG3 PRO 28 HG1 PRO 28 -2.386 0.526 -9.276
158 HD2 PRO 28 HD2 PRO 28 -3.526 0.392 -6.740
159 HD3 PRO 28 HD1 PRO 28 -1.808 0.679 -7.079
160 H SER 29 HN SER 29 -4.943 3.713 -5.842
161 HA SER 29 HA SER 29 -7.346 4.298 -7.371
162 HB2 SER 29 HB2 SER 29 -7.347 2.098 -5.292
163 HB3 SER 29 HB1 SER 29 -8.714 2.633 -6.271
164 HG SER 29 HG SER 29 -6.428 1.186 -7.047
165 HA PRO 30 HA PRO 30 -8.125 7.252 -4.204
166 HB2 PRO 30 HB2 PRO 30 -10.852 6.936 -3.837
167 HB3 PRO 30 HB1 PRO 30 -10.104 7.903 -5.112
168 HG2 PRO 30 HG2 PRO 30 -11.179 5.116 -5.229
169 HG3 PRO 30 HG1 PRO 30 -11.307 6.421 -6.425
170 HD2 PRO 30 HD2 PRO 30 -9.565 4.415 -6.741
171 HD3 PRO 30 HD1 PRO 30 -9.149 6.076 -7.214
172 H LYS 31 HN LYS 31 -10.872 5.617 -2.978
173 HA LYS 31 HA LYS 31 -10.033 5.506 -0.365
174 HB2 LYS 31 HB2 LYS 31 -12.073 3.907 -1.882
175 HB3 LYS 31 HB1 LYS 31 -11.774 3.588 -0.179
176 HG2 LYS 31 HG2 LYS 31 -12.478 5.759 0.447
177 HG3 LYS 31 HG1 LYS 31 -12.483 6.312 -1.229
178 HD2 LYS 31 HD2 LYS 31 -14.719 5.923 -0.944
179 HD3 LYS 31 HD1 LYS 31 -14.208 4.329 -1.507
180 HE2 LYS 31 HE2 LYS 31 -15.207 3.545 0.333
181 HE3 LYS 31 HE1 LYS 31 -13.801 4.162 1.199
182 HZ1 LYS 31 HZ1 LYS 31 -15.205 6.351 1.185
183 HZ2 LYS 31 HZ2 LYS 31 -15.484 5.156 2.348
184 HZ3 LYS 31 HZ3 LYS 31 -16.504 5.281 1.005
185 H ALA 32 HN ALA 32 -10.549 2.475 -2.118
186 HA ALA 32 HA ALA 32 -9.393 0.524 -2.213
187 HB1 ALA 32 HB1 ALA 32 -7.294 0.814 -2.862
188 HB2 ALA 32 HB2 ALA 32 -6.813 1.339 -1.249
189 HB3 ALA 32 HB3 ALA 32 -7.437 2.512 -2.408
190 H VAL 33 HN VAL 33 -9.041 -1.196 -0.888
191 HA VAL 33 HA VAL 33 -9.083 -0.648 1.999
192 HB VAL 33 HB VAL 33 -9.708 -3.324 0.784
193 HG11 VAL 33 HG11 VAL 33 -11.067 -3.575 2.799
194 HG12 VAL 33 HG12 VAL 33 -10.638 -1.939 3.298
195 HG13 VAL 33 HG13 VAL 33 -9.394 -3.186 3.202
196 HG21 VAL 33 HG21 VAL 33 -12.064 -1.745 1.388
197 HG22 VAL 33 HG22 VAL 33 -11.678 -2.693 -0.048
198 HG23 VAL 33 HG23 VAL 33 -11.104 -1.032 0.089
199 H CYS 34 HN CYS 34 -7.100 -0.742 2.846
200 HA CYS 34 HA CYS 34 -4.935 -2.122 1.659
201 HB2 CYS 34 HB2 CYS 34 -4.749 -1.467 4.539
202 HB3 CYS 34 HB1 CYS 34 -3.646 -1.093 3.221
203 H CYS 35 HN CYS 35 -5.198 -4.302 1.440
204 HA CYS 35 HA CYS 35 -6.401 -6.074 3.182
205 HB2 CYS 35 HB2 CYS 35 -3.927 -6.749 1.590
206 HB3 CYS 35 HB1 CYS 35 -5.240 -7.827 2.049
207 H ASP 36 HN ASP 36 -6.040 -6.147 5.275
208 HA ASP 36 HA ASP 36 -3.383 -5.749 6.367
209 HB2 ASP 36 HB2 ASP 36 -5.601 -4.756 7.267
210 HB3 ASP 36 HB1 ASP 36 -5.832 -6.342 7.998
211 H ASP 37 HN ASP 37 -5.385 -8.442 5.552
212 HA ASP 37 HA ASP 37 -4.814 -10.305 7.483
213 HB2 ASP 37 HB2 ASP 37 -4.851 -10.803 4.497
214 HB3 ASP 37 HB1 ASP 37 -5.116 -12.005 5.757
215 H MET 38 HN MET 38 -2.817 -9.303 4.756
216 HA MET 38 HA MET 38 -0.496 -10.497 6.098
217 HB2 MET 38 HB2 MET 38 -1.582 -11.208 3.509
218 HB3 MET 38 HB1 MET 38 0.061 -10.602 3.353
219 HG2 MET 38 HG2 MET 38 0.533 -12.783 3.704
220 HG3 MET 38 HG1 MET 38 0.461 -12.256 5.384
221 HE1 MET 38 HE1 MET 38 -0.097 -15.349 5.712
222 HE2 MET 38 HE2 MET 38 -1.467 -14.954 6.751
223 HE3 MET 38 HE3 MET 38 -0.049 -13.904 6.720
224 H GLN 39 HN GLN 39 -0.397 -8.985 2.941
225 HA GLN 39 HA GLN 39 0.199 -6.376 3.963
226 HB2 GLN 39 HB2 GLN 39 2.473 -6.372 2.757
227 HB3 GLN 39 HB1 GLN 39 2.387 -7.143 4.334
228 HG2 GLN 39 HG2 GLN 39 1.933 -9.296 2.910
229 HG3 GLN 39 HG1 GLN 39 2.726 -8.360 1.643
230 HE21 GLN 39 HE21 GLN 39 4.800 -8.763 1.479
231 HE22 GLN 39 HE22 GLN 39 5.869 -9.180 2.770
232 H HIS 40 HN HIS 40 -1.677 -6.005 2.555
233 HA HIS 40 HA HIS 40 -0.794 -5.470 -0.164
234 HB2 HIS 40 HB2 HIS 40 -2.569 -7.723 0.507
235 HB3 HIS 40 HB1 HIS 40 -3.111 -6.713 -0.828
236 HD1 HIS 40 HD1 HIS 40 -1.586 -9.732 -0.544
237 HD2 HIS 40 HD2 HIS 40 -0.380 -6.241 -2.447
238 HE1 HIS 40 HE1 HIS 40 0.085 -10.455 -2.278
239 HE2 HIS 40 HE2 HIS 40 0.846 -8.320 -3.377
240 H CYS 41 HN CYS 41 -2.955 -4.916 -1.492
241 HA CYS 41 HA CYS 41 -4.791 -3.274 0.044
242 HB2 CYS 41 HB2 CYS 41 -3.251 -1.554 -0.244
243 HB3 CYS 41 HB1 CYS 41 -2.690 -2.177 -1.791
244 H CYS 42 HN CYS 42 -6.686 -2.731 -1.134
245 HA CYS 42 HA CYS 42 -6.937 -4.080 -3.741
246 HB2 CYS 42 HB2 CYS 42 -8.560 -4.355 -1.286
247 HB3 CYS 42 HB1 CYS 42 -9.472 -4.205 -2.784
248 HA PRO 43 HA PRO 43 -8.047 -0.092 -5.347
249 HB2 PRO 43 HB2 PRO 43 -9.826 -1.779 -7.060
250 HB3 PRO 43 HB1 PRO 43 -8.718 -0.482 -7.524
251 HG2 PRO 43 HG2 PRO 43 -8.021 -3.006 -7.907
252 HG3 PRO 43 HG1 PRO 43 -6.836 -1.833 -7.300
253 HD2 PRO 43 HD2 PRO 43 -8.305 -3.976 -5.828
254 HD3 PRO 43 HD1 PRO 43 -6.643 -3.390 -5.611
255 H ALA 44 HN ALA 44 -9.526 1.362 -4.798
256 HA ALA 44 HA ALA 44 -11.524 1.024 -2.995
257 HB1 ALA 44 HB1 ALA 44 -11.127 3.237 -3.315
258 HB2 ALA 44 HB2 ALA 44 -12.575 3.094 -4.312
259 HB3 ALA 44 HB3 ALA 44 -10.980 3.073 -5.065
260 H GLY 45 HN GLY 45 -13.471 0.129 -2.946
261 HA2 GLY 45 HA2 GLY 45 -15.650 -0.256 -3.846
262 HA3 GLY 45 HA1 GLY 45 -14.958 -0.194 -5.461
263 H TYR 46 HN TYR 46 -12.769 -1.948 -3.859
264 HA TYR 46 HA TYR 46 -14.189 -4.486 -4.329
265 HB2 TYR 46 HB2 TYR 46 -11.349 -3.704 -4.977
266 HB3 TYR 46 HB1 TYR 46 -11.857 -5.386 -4.873
267 HD1 TYR 46 HD1 TYR 46 -13.729 -6.164 -6.421
268 HD2 TYR 46 HD2 TYR 46 -11.679 -2.472 -6.943
269 HE1 TYR 46 HE1 TYR 46 -14.487 -6.080 -8.759
270 HE2 TYR 46 HE2 TYR 46 -12.432 -2.379 -9.283
271 HH TYR 46 HH TYR 46 -14.556 -3.458 -10.578
272 H LYS 47 HN LYS 47 -13.160 -6.342 -3.130
273 HA LYS 47 HA LYS 47 -12.226 -5.444 -0.481
274 HB2 LYS 47 HB2 LYS 47 -14.607 -6.471 -0.757
275 HB3 LYS 47 HB1 LYS 47 -13.745 -7.999 -0.878
276 HG2 LYS 47 HG2 LYS 47 -12.728 -6.597 1.367
277 HG3 LYS 47 HG1 LYS 47 -14.491 -6.565 1.447
278 HD2 LYS 47 HD2 LYS 47 -12.974 -9.097 0.884
279 HD3 LYS 47 HD1 LYS 47 -13.286 -8.548 2.533
280 HE2 LYS 47 HE2 LYS 47 -15.368 -9.113 0.423
281 HE3 LYS 47 HE1 LYS 47 -14.979 -10.147 1.796
282 HZ1 LYS 47 HZ1 LYS 47 -16.265 -7.484 1.821
283 HZ2 LYS 47 HZ2 LYS 47 -15.584 -8.157 3.214
284 HZ3 LYS 47 HZ3 LYS 47 -16.862 -8.944 2.434
285 H CYS 48 HN CYS 48 -10.835 -6.903 0.680
286 HA CYS 48 HA CYS 48 -8.962 -8.235 -1.084
287 HB2 CYS 48 HB2 CYS 48 -8.910 -7.818 1.913
288 HB3 CYS 48 HB1 CYS 48 -7.598 -8.512 0.968
289 H GLY 49 HN GLY 49 -8.277 -10.417 -0.839
290 HA2 GLY 49 HA2 GLY 49 -10.200 -12.143 0.590
291 HA3 GLY 49 HA1 GLY 49 -9.707 -12.498 -1.058
292 HA PRO 50 HA PRO 50 -6.782 -14.527 2.030
293 HB2 PRO 50 HB2 PRO 50 -7.434 -17.110 1.620
294 HB3 PRO 50 HB1 PRO 50 -8.294 -16.096 2.784
295 HG2 PRO 50 HG2 PRO 50 -9.077 -16.869 0.001
296 HG3 PRO 50 HG1 PRO 50 -10.076 -16.787 1.463
297 HD2 PRO 50 HD2 PRO 50 -10.032 -14.833 -0.443
298 HD3 PRO 50 HD1 PRO 50 -10.396 -14.525 1.266
299 H GLY 51 HN GLY 51 -7.702 -15.115 -1.286
300 HA2 GLY 51 HA2 GLY 51 -5.218 -16.500 -1.901
301 HA3 GLY 51 HA1 GLY 51 -6.523 -16.150 -3.023
302 H GLY 52 HN GLY 52 -5.509 -13.503 -1.118
303 HA2 GLY 52 HA2 GLY 52 -4.338 -11.589 -1.604
304 HA3 GLY 52 HA1 GLY 52 -3.315 -12.584 -2.629
305 H THR 53 HN THR 53 -6.778 -12.193 -3.065
306 HA THR 53 HA THR 53 -6.266 -10.520 -5.433
307 HB THR 53 HB THR 53 -8.477 -11.980 -6.171
308 HG1 THR 53 HG1 THR 53 -6.652 -13.663 -4.776
309 HG21 THR 53 HG21 THR 53 -7.100 -11.863 -7.935
310 HG22 THR 53 HG22 THR 53 -6.386 -13.356 -7.325
311 HG23 THR 53 HG23 THR 53 -5.663 -11.800 -6.915
312 H CYS 54 HN CYS 54 -8.060 -9.220 -6.121
313 HA CYS 54 HA CYS 54 -9.779 -8.459 -3.880
314 HB2 CYS 54 HB2 CYS 54 -9.227 -7.023 -6.486
315 HB3 CYS 54 HB1 CYS 54 -10.179 -6.391 -5.148
316 H ILE 55 HN ILE 55 -11.925 -8.742 -3.877
317 HA ILE 55 HA ILE 55 -13.180 -9.725 -6.358
318 HB ILE 55 HB ILE 55 -14.842 -10.797 -4.640
319 HG12 ILE 55 HG12 ILE 55 -12.311 -10.875 -3.000
320 HG13 ILE 55 HG11 ILE 55 -13.571 -9.680 -2.717
321 HG21 ILE 55 HG21 ILE 55 -12.130 -11.842 -5.402
322 HG22 ILE 55 HG22 ILE 55 -13.689 -12.172 -6.158
323 HG23 ILE 55 HG23 ILE 55 -13.323 -12.836 -4.566
324 HD11 ILE 55 HD11 ILE 55 -14.717 -12.304 -2.833
325 HD12 ILE 55 HD12 ILE 55 -14.735 -11.128 -1.519
326 HD13 ILE 55 HD13 ILE 55 -13.392 -12.261 -1.669
327 H SER 56 HN SER 56 -15.460 -9.262 -6.606
328 HA SER 56 HA SER 56 -16.076 -6.556 -5.886
329 HB2 SER 56 HB2 SER 56 -16.696 -7.908 -8.055
330 HB3 SER 56 HB1 SER 56 -18.099 -8.401 -7.105
331 HG SER 56 HG SER 56 -17.336 -5.693 -7.440
Start of MODEL 7
1 H1 ASP 1 HT1 ASP 1 3.782 16.597 -2.085
2 H2 ASP 1 HT2 ASP 1 2.768 16.544 -3.437
3 H3 ASP 1 HT3 ASP 1 4.430 16.286 -3.617
4 HA ASP 1 HA ASP 1 3.203 14.208 -3.741
5 HB2 ASP 1 HB2 ASP 1 4.441 13.373 -1.425
6 HB3 ASP 1 HB1 ASP 1 5.226 13.551 -2.990
7 H VAL 2 HN VAL 2 2.408 12.432 -2.131
8 HA VAL 2 HA VAL 2 0.177 13.617 -0.640
9 HB VAL 2 HB VAL 2 0.304 10.683 -1.072
10 HG11 VAL 2 HG11 VAL 2 -2.018 10.824 -1.094
11 HG12 VAL 2 HG12 VAL 2 -2.008 12.521 -1.577
12 HG13 VAL 2 HG13 VAL 2 -1.546 12.068 0.063
13 HG21 VAL 2 HG21 VAL 2 -0.382 12.587 -3.310
14 HG22 VAL 2 HG22 VAL 2 -0.509 10.829 -3.350
15 HG23 VAL 2 HG23 VAL 2 1.074 11.596 -3.229
16 H GLN 3 HN GLN 3 0.406 13.791 1.484
17 HA GLN 3 HA GLN 3 2.431 12.385 2.933
18 HB2 GLN 3 HB2 GLN 3 0.744 14.637 3.367
19 HB3 GLN 3 HB1 GLN 3 0.499 13.520 4.703
20 HG2 GLN 3 HG2 GLN 3 2.672 13.698 5.431
21 HG3 GLN 3 HG1 GLN 3 3.272 14.197 3.851
22 HE21 GLN 3 HE21 GLN 3 1.976 16.316 3.131
23 HE22 GLN 3 HE22 GLN 3 2.060 17.589 4.296
24 H CYS 4 HN CYS 4 2.210 10.256 3.243
25 HA CYS 4 HA CYS 4 -0.339 8.982 3.496
26 HB2 CYS 4 HB2 CYS 4 2.229 7.644 4.263
27 HB3 CYS 4 HB1 CYS 4 0.813 6.964 3.470
28 H GLY 5 HN GLY 5 2.188 9.974 5.751
29 HA2 GLY 5 HA2 GLY 5 0.660 10.423 7.938
30 HA3 GLY 5 HA1 GLY 5 0.899 8.684 7.996
31 H GLY 6 HN GLY 6 2.952 7.845 8.456
32 HA2 GLY 6 HA2 GLY 6 4.493 9.192 10.304
33 HA3 GLY 6 HA1 GLY 6 5.052 7.814 9.369
34 H GLY 7 HN GLY 7 5.752 8.387 7.064
35 HA2 GLY 7 HA2 GLY 7 6.657 11.070 6.612
36 HA3 GLY 7 HA1 GLY 7 7.961 10.005 7.108
37 H PHE 8 HN PHE 8 5.350 8.656 5.251
38 HA PHE 8 HA PHE 8 7.215 8.313 3.018
39 HB2 PHE 8 HB2 PHE 8 4.976 6.759 4.108
40 HB3 PHE 8 HB1 PHE 8 5.000 6.848 2.353
41 HD1 PHE 8 HD1 PHE 8 6.510 5.569 1.098
42 HD2 PHE 8 HD2 PHE 8 7.009 5.897 5.310
43 HE1 PHE 8 HE1 PHE 8 8.214 3.795 1.029
44 HE2 PHE 8 HE2 PHE 8 8.715 4.126 5.251
45 HZ PHE 8 HZ PHE 8 9.319 3.070 3.109
46 H SER 9 HN SER 9 5.740 8.014 0.870
47 HA SER 9 HA SER 9 3.630 9.852 0.486
48 HB2 SER 9 HB2 SER 9 5.213 11.285 -1.143
49 HB3 SER 9 HB1 SER 9 4.931 11.734 0.539
50 HG SER 9 HG SER 9 7.185 11.658 -0.143
51 H CYS 10 HN CYS 10 2.948 9.980 -1.756
52 HA CYS 10 HA CYS 10 4.267 8.101 -3.570
53 HB2 CYS 10 HB2 CYS 10 2.150 7.233 -2.160
54 HB3 CYS 10 HB1 CYS 10 1.306 7.980 -3.511
55 H HIS 11 HN HIS 11 2.734 8.132 -5.700
56 HA HIS 11 HA HIS 11 2.983 10.851 -6.642
57 HB2 HIS 11 HB2 HIS 11 3.140 8.283 -7.809
58 HB3 HIS 11 HB1 HIS 11 1.802 9.112 -8.598
59 HD1 HIS 11 HD1 HIS 11 4.080 11.673 -7.670
60 HD2 HIS 11 HD2 HIS 11 3.970 8.841 -10.710
61 HE1 HIS 11 HE1 HIS 11 5.642 12.530 -9.444
62 HE2 HIS 11 HE2 HIS 11 5.491 10.846 -11.311
63 H ASP 12 HN ASP 12 1.271 11.742 -8.110
64 HA ASP 12 HA ASP 12 -1.070 12.244 -6.684
65 HB2 ASP 12 HB2 ASP 12 -0.612 12.557 -9.659
66 HB3 ASP 12 HB1 ASP 12 -1.880 13.342 -8.721
67 H GLY 13 HN GLY 13 -3.042 11.329 -6.606
68 HA2 GLY 13 HA2 GLY 13 -4.840 9.999 -7.279
69 HA3 GLY 13 HA1 GLY 13 -3.875 9.421 -8.629
70 H GLU 14 HN GLU 14 -1.813 9.071 -6.183
71 HA GLU 14 HA GLU 14 -2.481 6.256 -5.861
72 HB2 GLU 14 HB2 GLU 14 -0.076 7.809 -4.898
73 HB3 GLU 14 HB1 GLU 14 -0.257 6.062 -4.849
74 HG2 GLU 14 HG2 GLU 14 -0.345 7.616 -7.413
75 HG3 GLU 14 HG1 GLU 14 1.160 7.035 -6.706
76 H THR 15 HN THR 15 -2.017 5.309 -3.621
77 HA THR 15 HA THR 15 -2.725 7.040 -1.395
78 HB THR 15 HB THR 15 -4.341 4.533 -1.834
79 HG1 THR 15 HG1 THR 15 -5.025 7.194 -2.615
80 HG21 THR 15 HG21 THR 15 -5.806 5.468 -0.189
81 HG22 THR 15 HG22 THR 15 -4.964 7.018 -0.235
82 HG23 THR 15 HG23 THR 15 -4.161 5.597 0.436
83 H CYS 16 HN CYS 16 -1.333 6.480 0.228
84 HA CYS 16 HA CYS 16 0.031 3.946 0.055
85 HB2 CYS 16 HB2 CYS 16 0.518 5.620 2.427
86 HB3 CYS 16 HB1 CYS 16 1.657 4.910 1.289
87 H CYS 17 HN CYS 17 0.319 2.619 2.020
88 HA CYS 17 HA CYS 17 -1.965 2.618 3.842
89 HB2 CYS 17 HB2 CYS 17 -1.206 0.388 1.968
90 HB3 CYS 17 HB1 CYS 17 -2.054 0.060 3.476
91 HA PRO 18 HA PRO 18 1.404 1.599 6.541
92 HB2 PRO 18 HB2 PRO 18 0.063 1.551 8.856
93 HB3 PRO 18 HB1 PRO 18 0.291 3.059 7.962
94 HG2 PRO 18 HG2 PRO 18 -2.119 1.298 8.125
95 HG3 PRO 18 HG1 PRO 18 -2.021 3.068 8.117
96 HD2 PRO 18 HD2 PRO 18 -2.615 1.498 5.908
97 HD3 PRO 18 HD1 PRO 18 -2.012 3.161 5.840
98 H THR 19 HN THR 19 1.092 -0.610 5.215
99 HA THR 19 HA THR 19 -0.155 -2.771 6.568
100 HB THR 19 HB THR 19 0.896 -4.208 4.978
101 HG1 THR 19 HG1 THR 19 2.756 -3.720 3.987
102 HG21 THR 19 HG21 THR 19 -0.210 -1.641 4.074
103 HG22 THR 19 HG22 THR 19 -0.655 -3.288 3.625
104 HG23 THR 19 HG23 THR 19 0.727 -2.506 2.855
105 H SER 20 HN SER 20 2.335 -0.974 7.590
106 HA SER 20 HA SER 20 3.337 -3.090 9.304
107 HB2 SER 20 HB2 SER 20 4.941 -1.796 7.168
108 HB3 SER 20 HB1 SER 20 5.726 -1.965 8.738
109 HG SER 20 HG SER 20 6.142 -3.886 7.937
110 H GLN 21 HN GLN 21 5.564 -1.492 10.242
111 HA GLN 21 HA GLN 21 4.042 0.597 11.647
112 HB2 GLN 21 HB2 GLN 21 6.469 -0.987 12.495
113 HB3 GLN 21 HB1 GLN 21 5.839 0.387 13.396
114 HG2 GLN 21 HG2 GLN 21 3.602 -1.095 13.151
115 HG3 GLN 21 HG1 GLN 21 4.824 -2.364 13.176
116 HE21 GLN 21 HE21 GLN 21 4.963 0.744 14.818
117 HE22 GLN 21 HE22 GLN 21 4.955 0.104 16.424
118 H THR 22 HN THR 22 6.777 -0.040 9.636
119 HA THR 22 HA THR 22 7.403 2.834 9.630
120 HB THR 22 HB THR 22 9.756 2.453 9.539
121 HG1 THR 22 HG1 THR 22 9.776 -0.252 9.963
122 HG21 THR 22 HG21 THR 22 8.325 0.969 11.713
123 HG22 THR 22 HG22 THR 22 9.172 2.514 11.787
124 HG23 THR 22 HG23 THR 22 10.087 1.011 11.671
125 H THR 23 HN THR 23 6.149 0.473 7.891
126 HA THR 23 HA THR 23 7.403 1.373 5.381
127 HB THR 23 HB THR 23 6.802 -1.332 6.346
128 HG1 THR 23 HG1 THR 23 8.295 -0.773 4.044
129 HG21 THR 23 HG21 THR 23 6.038 -0.567 3.525
130 HG22 THR 23 HG22 THR 23 4.960 -1.193 4.772
131 HG23 THR 23 HG23 THR 23 6.230 -2.220 4.108
132 H TRP 24 HN TRP 24 6.080 1.871 3.661
133 HA TRP 24 HA TRP 24 3.176 1.828 4.155
134 HB2 TRP 24 HB2 TRP 24 4.923 4.121 3.320
135 HB3 TRP 24 HB1 TRP 24 3.248 4.058 2.780
136 HD1 TRP 24 HD1 TRP 24 5.357 4.522 5.930
137 HE1 TRP 24 HE1 TRP 24 3.861 5.486 7.790
138 HE3 TRP 24 HE3 TRP 24 0.856 4.176 3.577
139 HZ2 TRP 24 HZ2 TRP 24 1.112 6.026 8.193
140 HZ3 TRP 24 HZ3 TRP 24 -1.163 4.932 4.755
141 HH2 TRP 24 HH2 TRP 24 -1.035 5.836 7.010
142 H GLY 25 HN GLY 25 2.097 0.834 2.561
143 HA2 GLY 25 HA2 GLY 25 3.481 0.275 0.049
144 HA3 GLY 25 HA1 GLY 25 1.992 -0.477 0.599
145 H CYS 26 HN CYS 26 2.904 1.043 -1.905
146 HA CYS 26 HA CYS 26 0.976 3.230 -1.936
147 HB2 CYS 26 HB2 CYS 26 3.286 2.421 -3.621
148 HB3 CYS 26 HB1 CYS 26 1.986 3.309 -4.410
149 H CYS 27 HN CYS 27 -0.945 3.154 -2.861
150 HA CYS 27 HA CYS 27 -1.620 0.834 -4.550
151 HB2 CYS 27 HB2 CYS 27 -2.753 1.448 -2.129
152 HB3 CYS 27 HB1 CYS 27 -3.853 2.240 -3.248
153 HA PRO 28 HA PRO 28 -2.626 4.021 -7.509
154 HB2 PRO 28 HB2 PRO 28 -3.268 2.142 -9.496
155 HB3 PRO 28 HB1 PRO 28 -1.685 2.860 -9.207
156 HG2 PRO 28 HG2 PRO 28 -2.404 0.156 -8.851
157 HG3 PRO 28 HG1 PRO 28 -0.896 0.929 -8.341
158 HD2 PRO 28 HD2 PRO 28 -3.316 0.262 -6.751
159 HD3 PRO 28 HD1 PRO 28 -1.616 0.362 -6.243
160 H SER 29 HN SER 29 -4.647 3.890 -5.789
161 HA SER 29 HA SER 29 -6.999 3.842 -7.516
162 HB2 SER 29 HB2 SER 29 -7.574 2.713 -4.873
163 HB3 SER 29 HB1 SER 29 -8.091 2.167 -6.468
164 HG SER 29 HG SER 29 -5.495 1.746 -5.406
165 HA PRO 30 HA PRO 30 -8.212 7.512 -5.399
166 HB2 PRO 30 HB2 PRO 30 -10.862 7.066 -4.800
167 HB3 PRO 30 HB1 PRO 30 -10.266 7.565 -6.386
168 HG2 PRO 30 HG2 PRO 30 -11.004 4.839 -5.410
169 HG3 PRO 30 HG1 PRO 30 -11.320 5.592 -6.984
170 HD2 PRO 30 HD2 PRO 30 -9.350 3.795 -6.645
171 HD3 PRO 30 HD1 PRO 30 -9.178 5.171 -7.755
172 H LYS 31 HN LYS 31 -10.129 4.996 -3.726
173 HA LYS 31 HA LYS 31 -9.325 6.141 -1.165
174 HB2 LYS 31 HB2 LYS 31 -11.258 3.873 -1.655
175 HB3 LYS 31 HB1 LYS 31 -11.079 4.822 -0.187
176 HG2 LYS 31 HG2 LYS 31 -11.779 6.829 -1.555
177 HG3 LYS 31 HG1 LYS 31 -12.230 5.685 -2.821
178 HD2 LYS 31 HD2 LYS 31 -13.249 5.340 -0.027
179 HD3 LYS 31 HD1 LYS 31 -14.030 6.474 -1.129
180 HE2 LYS 31 HE2 LYS 31 -14.178 4.556 -2.776
181 HE3 LYS 31 HE1 LYS 31 -13.701 3.501 -1.447
182 HZ1 LYS 31 HZ1 LYS 31 -16.221 4.879 -1.913
183 HZ2 LYS 31 HZ2 LYS 31 -15.697 4.811 -0.306
184 HZ3 LYS 31 HZ3 LYS 31 -15.924 3.383 -1.181
185 H ALA 32 HN ALA 32 -9.427 2.973 -2.755
186 HA ALA 32 HA ALA 32 -8.111 1.136 -2.621
187 HB1 ALA 32 HB1 ALA 32 -5.936 1.576 -2.681
188 HB2 ALA 32 HB2 ALA 32 -5.937 2.181 -1.025
189 HB3 ALA 32 HB3 ALA 32 -6.356 3.258 -2.357
190 H VAL 33 HN VAL 33 -8.262 -0.596 -1.372
191 HA VAL 33 HA VAL 33 -8.742 -0.220 1.506
192 HB VAL 33 HB VAL 33 -9.322 -2.795 0.088
193 HG11 VAL 33 HG11 VAL 33 -9.468 -2.354 2.621
194 HG12 VAL 33 HG12 VAL 33 -10.810 -3.184 1.834
195 HG13 VAL 33 HG13 VAL 33 -10.944 -1.472 2.230
196 HG21 VAL 33 HG21 VAL 33 -10.430 -1.320 -1.381
197 HG22 VAL 33 HG22 VAL 33 -10.981 -0.291 -0.059
198 HG23 VAL 33 HG23 VAL 33 -11.672 -1.899 -0.272
199 H CYS 34 HN CYS 34 -6.929 -0.534 2.642
200 HA CYS 34 HA CYS 34 -4.718 -2.025 1.663
201 HB2 CYS 34 HB2 CYS 34 -5.020 -1.307 4.553
202 HB3 CYS 34 HB1 CYS 34 -3.575 -1.287 3.546
203 H CYS 35 HN CYS 35 -5.042 -4.188 1.372
204 HA CYS 35 HA CYS 35 -6.541 -5.879 3.032
205 HB2 CYS 35 HB2 CYS 35 -5.340 -6.247 0.661
206 HB3 CYS 35 HB1 CYS 35 -4.124 -6.994 1.691
207 H ASP 36 HN ASP 36 -6.222 -6.281 5.085
208 HA ASP 36 HA ASP 36 -3.577 -5.920 6.252
209 HB2 ASP 36 HB2 ASP 36 -4.687 -5.814 8.384
210 HB3 ASP 36 HB1 ASP 36 -5.552 -4.787 7.244
211 H ASP 37 HN ASP 37 -5.523 -8.562 5.228
212 HA ASP 37 HA ASP 37 -5.074 -10.489 7.141
213 HB2 ASP 37 HB2 ASP 37 -5.460 -10.505 4.197
214 HB3 ASP 37 HB1 ASP 37 -4.786 -11.971 4.905
215 H MET 38 HN MET 38 -2.938 -9.359 4.586
216 HA MET 38 HA MET 38 -0.672 -10.548 6.017
217 HB2 MET 38 HB2 MET 38 -1.248 -10.742 3.060
218 HB3 MET 38 HB1 MET 38 0.349 -11.024 3.739
219 HG2 MET 38 HG2 MET 38 -1.098 -12.669 5.285
220 HG3 MET 38 HG1 MET 38 -2.070 -12.700 3.815
221 HE1 MET 38 HE1 MET 38 0.136 -15.831 4.498
222 HE2 MET 38 HE2 MET 38 -0.376 -14.583 5.634
223 HE3 MET 38 HE3 MET 38 1.328 -14.737 5.201
224 H GLN 39 HN GLN 39 -0.483 -8.975 2.888
225 HA GLN 39 HA GLN 39 0.050 -6.375 3.978
226 HB2 GLN 39 HB2 GLN 39 2.222 -7.438 4.368
227 HB3 GLN 39 HB1 GLN 39 2.287 -7.960 2.691
228 HG2 GLN 39 HG2 GLN 39 2.039 -5.361 2.257
229 HG3 GLN 39 HG1 GLN 39 2.751 -5.281 3.869
230 HE21 GLN 39 HE21 GLN 39 4.856 -5.011 3.803
231 HE22 GLN 39 HE22 GLN 39 5.940 -5.687 2.639
232 H HIS 40 HN HIS 40 -1.800 -6.013 2.520
233 HA HIS 40 HA HIS 40 -0.855 -5.477 -0.191
234 HB2 HIS 40 HB2 HIS 40 -2.944 -7.524 0.451
235 HB3 HIS 40 HB1 HIS 40 -3.017 -6.638 -1.066
236 HD1 HIS 40 HD1 HIS 40 -0.918 -6.962 -2.691
237 HD2 HIS 40 HD2 HIS 40 -1.177 -9.614 0.499
238 HE1 HIS 40 HE1 HIS 40 0.611 -8.871 -3.276
239 HE2 HIS 40 HE2 HIS 40 0.386 -10.495 -1.364
240 H CYS 41 HN CYS 41 -2.972 -4.873 -1.549
241 HA CYS 41 HA CYS 41 -4.932 -3.324 -0.151
242 HB2 CYS 41 HB2 CYS 41 -4.323 -1.152 -0.862
243 HB3 CYS 41 HB1 CYS 41 -2.833 -1.847 -0.239
244 H CYS 42 HN CYS 42 -6.656 -2.697 -1.572
245 HA CYS 42 HA CYS 42 -6.413 -3.699 -4.326
246 HB2 CYS 42 HB2 CYS 42 -7.606 -5.267 -2.627
247 HB3 CYS 42 HB1 CYS 42 -8.936 -4.119 -2.749
248 HA PRO 43 HA PRO 43 -8.022 0.138 -5.787
249 HB2 PRO 43 HB2 PRO 43 -9.845 -1.633 -7.368
250 HB3 PRO 43 HB1 PRO 43 -8.889 -0.244 -7.899
251 HG2 PRO 43 HG2 PRO 43 -8.057 -2.718 -8.398
252 HG3 PRO 43 HG1 PRO 43 -6.907 -1.452 -7.932
253 HD2 PRO 43 HD2 PRO 43 -7.944 -3.743 -6.350
254 HD3 PRO 43 HD1 PRO 43 -6.374 -2.925 -6.258
255 H ALA 44 HN ALA 44 -9.381 1.439 -4.820
256 HA ALA 44 HA ALA 44 -11.255 0.909 -2.958
257 HB1 ALA 44 HB1 ALA 44 -11.841 3.106 -3.044
258 HB2 ALA 44 HB2 ALA 44 -11.940 3.128 -4.804
259 HB3 ALA 44 HB3 ALA 44 -10.366 3.174 -4.009
260 H GLY 45 HN GLY 45 -13.043 -0.252 -2.928
261 HA2 GLY 45 HA2 GLY 45 -15.362 -0.386 -3.706
262 HA3 GLY 45 HA1 GLY 45 -14.737 -0.274 -5.346
263 H TYR 46 HN TYR 46 -12.507 -2.162 -4.006
264 HA TYR 46 HA TYR 46 -13.987 -4.606 -4.704
265 HB2 TYR 46 HB2 TYR 46 -11.067 -3.884 -4.838
266 HB3 TYR 46 HB1 TYR 46 -11.600 -5.560 -4.888
267 HD1 TYR 46 HD1 TYR 46 -14.209 -4.812 -6.491
268 HD2 TYR 46 HD2 TYR 46 -10.069 -4.002 -7.042
269 HE1 TYR 46 HE1 TYR 46 -14.576 -4.620 -8.913
270 HE2 TYR 46 HE2 TYR 46 -10.424 -3.808 -9.466
271 HH TYR 46 HH TYR 46 -12.602 -4.955 -11.105
272 H LYS 47 HN LYS 47 -13.060 -6.607 -3.561
273 HA LYS 47 HA LYS 47 -12.535 -6.017 -0.728
274 HB2 LYS 47 HB2 LYS 47 -14.901 -6.584 -0.982
275 HB3 LYS 47 HB1 LYS 47 -14.472 -8.071 -1.813
276 HG2 LYS 47 HG2 LYS 47 -13.249 -7.776 0.831
277 HG3 LYS 47 HG1 LYS 47 -15.013 -7.864 0.841
278 HD2 LYS 47 HD2 LYS 47 -14.458 -9.857 -0.880
279 HD3 LYS 47 HD1 LYS 47 -13.010 -9.916 0.127
280 HE2 LYS 47 HE2 LYS 47 -14.516 -11.384 1.163
281 HE3 LYS 47 HE1 LYS 47 -14.603 -9.905 2.119
282 HZ1 LYS 47 HZ1 LYS 47 -16.654 -9.339 1.163
283 HZ2 LYS 47 HZ2 LYS 47 -16.782 -10.989 1.515
284 HZ3 LYS 47 HZ3 LYS 47 -16.505 -10.484 -0.075
285 H CYS 48 HN CYS 48 -11.301 -7.553 0.400
286 HA CYS 48 HA CYS 48 -9.542 -9.120 -1.293
287 HB2 CYS 48 HB2 CYS 48 -9.427 -7.927 1.369
288 HB3 CYS 48 HB1 CYS 48 -8.793 -9.568 1.343
289 H GLY 49 HN GLY 49 -10.272 -11.083 -1.883
290 HA2 GLY 49 HA2 GLY 49 -12.046 -12.587 -0.153
291 HA3 GLY 49 HA1 GLY 49 -11.515 -13.049 -1.764
292 HA PRO 50 HA PRO 50 -9.239 -15.371 1.777
293 HB2 PRO 50 HB2 PRO 50 -10.686 -17.704 0.677
294 HB3 PRO 50 HB1 PRO 50 -10.421 -17.236 2.359
295 HG2 PRO 50 HG2 PRO 50 -12.826 -16.989 1.213
296 HG3 PRO 50 HG1 PRO 50 -12.232 -15.797 2.384
297 HD2 PRO 50 HD2 PRO 50 -12.352 -15.627 -0.604
298 HD3 PRO 50 HD1 PRO 50 -12.700 -14.377 0.610
299 H GLY 51 HN GLY 51 -7.366 -16.476 1.372
300 HA2 GLY 51 HA2 GLY 51 -5.731 -17.590 0.181
301 HA3 GLY 51 HA1 GLY 51 -6.929 -17.933 -1.058
302 H GLY 52 HN GLY 52 -6.318 -14.666 -0.004
303 HA2 GLY 52 HA2 GLY 52 -5.435 -12.848 -1.097
304 HA3 GLY 52 HA1 GLY 52 -4.301 -13.970 -1.838
305 H THR 53 HN THR 53 -7.117 -12.057 -2.280
306 HA THR 53 HA THR 53 -6.992 -12.243 -5.098
307 HB THR 53 HB THR 53 -9.614 -13.065 -4.927
308 HG1 THR 53 HG1 THR 53 -9.500 -15.011 -3.670
309 HG21 THR 53 HG21 THR 53 -7.390 -13.801 -6.302
310 HG22 THR 53 HG22 THR 53 -8.942 -14.630 -6.408
311 HG23 THR 53 HG23 THR 53 -7.684 -15.248 -5.338
312 H CYS 54 HN CYS 54 -9.083 -11.122 -6.049
313 HA CYS 54 HA CYS 54 -10.170 -9.186 -4.145
314 HB2 CYS 54 HB2 CYS 54 -8.405 -8.587 -6.459
315 HB3 CYS 54 HB1 CYS 54 -9.773 -7.511 -6.198
316 H ILE 55 HN ILE 55 -12.284 -8.920 -4.402
317 HA ILE 55 HA ILE 55 -13.483 -9.377 -7.043
318 HB ILE 55 HB ILE 55 -15.401 -10.546 -5.869
319 HG12 ILE 55 HG12 ILE 55 -13.372 -11.118 -3.715
320 HG13 ILE 55 HG11 ILE 55 -14.526 -9.796 -3.568
321 HG21 ILE 55 HG21 ILE 55 -13.588 -11.632 -7.253
322 HG22 ILE 55 HG22 ILE 55 -14.414 -12.682 -6.101
323 HG23 ILE 55 HG23 ILE 55 -12.806 -12.060 -5.731
324 HD11 ILE 55 HD11 ILE 55 -15.919 -12.172 -4.306
325 HD12 ILE 55 HD12 ILE 55 -16.072 -11.196 -2.844
326 HD13 ILE 55 HD13 ILE 55 -14.889 -12.502 -2.912
327 H SER 56 HN SER 56 -16.133 -9.048 -6.370
328 HA SER 56 HA SER 56 -16.245 -6.436 -5.031
329 HB2 SER 56 HB2 SER 56 -16.206 -5.981 -7.422
330 HB3 SER 56 HB1 SER 56 -17.519 -7.128 -7.688
331 HG SER 56 HG SER 56 -17.613 -4.656 -6.307
Start of MODEL 8
1 H1 ASP 1 HT1 ASP 1 2.859 15.939 -5.962
2 H2 ASP 1 HT2 ASP 1 3.138 16.960 -4.643
3 H3 ASP 1 HT3 ASP 1 1.569 16.426 -4.981
4 HA ASP 1 HA ASP 1 2.589 14.081 -4.690
5 HB2 ASP 1 HB2 ASP 1 4.350 15.554 -2.766
6 HB3 ASP 1 HB1 ASP 1 4.550 13.945 -3.453
7 H VAL 2 HN VAL 2 1.514 13.041 -3.081
8 HA VAL 2 HA VAL 2 0.210 14.731 -1.047
9 HB VAL 2 HB VAL 2 -0.819 12.027 -1.838
10 HG11 VAL 2 HG11 VAL 2 -2.044 12.681 -0.040
11 HG12 VAL 2 HG12 VAL 2 -2.982 13.477 -1.304
12 HG13 VAL 2 HG13 VAL 2 -1.808 14.399 -0.363
13 HG21 VAL 2 HG21 VAL 2 -1.379 12.694 -3.876
14 HG22 VAL 2 HG22 VAL 2 -0.632 14.266 -3.589
15 HG23 VAL 2 HG23 VAL 2 -2.328 14.006 -3.177
16 H GLN 3 HN GLN 3 2.200 14.428 0.231
17 HA GLN 3 HA GLN 3 3.400 12.193 1.113
18 HB2 GLN 3 HB2 GLN 3 3.477 13.386 3.423
19 HB3 GLN 3 HB1 GLN 3 4.246 14.140 2.034
20 HG2 GLN 3 HG2 GLN 3 2.664 15.792 1.877
21 HG3 GLN 3 HG1 GLN 3 1.421 14.827 2.671
22 HE21 GLN 3 HE21 GLN 3 4.727 15.528 3.697
23 HE22 GLN 3 HE22 GLN 3 4.293 16.329 5.166
24 H CYS 4 HN CYS 4 3.124 10.609 2.656
25 HA CYS 4 HA CYS 4 0.380 9.879 3.186
26 HB2 CYS 4 HB2 CYS 4 1.959 8.154 2.512
27 HB3 CYS 4 HB1 CYS 4 2.957 8.477 3.929
28 H GLY 5 HN GLY 5 3.259 10.146 5.277
29 HA2 GLY 5 HA2 GLY 5 1.807 11.591 7.287
30 HA3 GLY 5 HA1 GLY 5 2.088 9.917 7.728
31 H GLY 6 HN GLY 6 3.902 9.473 8.762
32 HA2 GLY 6 HA2 GLY 6 6.082 11.460 8.626
33 HA3 GLY 6 HA1 GLY 6 5.730 10.473 10.039
34 H GLY 7 HN GLY 7 6.556 10.109 6.585
35 HA2 GLY 7 HA2 GLY 7 8.899 8.723 6.898
36 HA3 GLY 7 HA1 GLY 7 7.653 7.493 7.001
37 H PHE 8 HN PHE 8 5.935 7.774 5.105
38 HA PHE 8 HA PHE 8 7.541 8.002 2.645
39 HB2 PHE 8 HB2 PHE 8 5.210 6.237 3.354
40 HB3 PHE 8 HB1 PHE 8 5.760 6.454 1.695
41 HD1 PHE 8 HD1 PHE 8 7.403 5.807 4.995
42 HD2 PHE 8 HD2 PHE 8 7.016 4.729 0.896
43 HE1 PHE 8 HE1 PHE 8 9.086 4.040 5.304
44 HE2 PHE 8 HE2 PHE 8 8.697 2.959 1.198
45 HZ PHE 8 HZ PHE 8 9.735 2.613 3.405
46 H SER 9 HN SER 9 5.795 7.996 0.711
47 HA SER 9 HA SER 9 3.626 9.849 1.077
48 HB2 SER 9 HB2 SER 9 5.483 10.864 -0.977
49 HB3 SER 9 HB1 SER 9 4.518 11.748 0.204
50 HG SER 9 HG SER 9 6.760 11.944 0.608
51 H CYS 10 HN CYS 10 2.450 10.190 -0.996
52 HA CYS 10 HA CYS 10 3.017 8.055 -2.939
53 HB2 CYS 10 HB2 CYS 10 0.491 8.686 -1.496
54 HB3 CYS 10 HB1 CYS 10 0.359 8.206 -3.183
55 H HIS 11 HN HIS 11 2.208 8.435 -5.088
56 HA HIS 11 HA HIS 11 2.497 11.213 -5.843
57 HB2 HIS 11 HB2 HIS 11 1.927 8.914 -7.709
58 HB3 HIS 11 HB1 HIS 11 2.725 10.439 -8.074
59 HD1 HIS 11 HD1 HIS 11 3.542 7.056 -7.716
60 HD2 HIS 11 HD2 HIS 11 5.245 10.564 -6.278
61 HE1 HIS 11 HE1 HIS 11 5.919 6.465 -7.142
62 HE2 HIS 11 HE2 HIS 11 6.927 8.599 -6.263
63 H ASP 12 HN ASP 12 0.996 11.950 -7.721
64 HA ASP 12 HA ASP 12 -1.555 12.349 -6.683
65 HB2 ASP 12 HB2 ASP 12 -0.682 13.904 -8.276
66 HB3 ASP 12 HB1 ASP 12 -0.478 12.643 -9.488
67 H GLY 13 HN GLY 13 -3.318 11.126 -6.613
68 HA2 GLY 13 HA2 GLY 13 -4.973 9.720 -7.523
69 HA3 GLY 13 HA1 GLY 13 -3.823 9.187 -8.737
70 H GLU 14 HN GLU 14 -1.922 8.880 -6.236
71 HA GLU 14 HA GLU 14 -2.663 6.092 -5.830
72 HB2 GLU 14 HB2 GLU 14 -0.234 7.223 -4.552
73 HB3 GLU 14 HB1 GLU 14 -0.470 5.671 -5.339
74 HG2 GLU 14 HG2 GLU 14 -0.724 7.686 -7.311
75 HG3 GLU 14 HG1 GLU 14 0.725 8.027 -6.363
76 H THR 15 HN THR 15 -2.194 5.192 -3.577
77 HA THR 15 HA THR 15 -3.025 7.026 -1.447
78 HB THR 15 HB THR 15 -4.286 4.317 -1.941
79 HG1 THR 15 HG1 THR 15 -4.926 6.817 -2.811
80 HG21 THR 15 HG21 THR 15 -3.977 5.717 0.450
81 HG22 THR 15 HG22 THR 15 -5.098 4.391 0.139
82 HG23 THR 15 HG23 THR 15 -5.629 6.062 -0.061
83 H CYS 16 HN CYS 16 -2.000 6.636 0.484
84 HA CYS 16 HA CYS 16 0.025 4.550 0.447
85 HB2 CYS 16 HB2 CYS 16 1.129 5.709 2.159
86 HB3 CYS 16 HB1 CYS 16 0.458 6.979 1.140
87 H CYS 17 HN CYS 17 -0.081 2.713 1.532
88 HA CYS 17 HA CYS 17 -2.133 2.416 3.622
89 HB2 CYS 17 HB2 CYS 17 -1.433 0.618 1.323
90 HB3 CYS 17 HB1 CYS 17 -2.103 -0.062 2.802
91 HA PRO 18 HA PRO 18 1.394 1.040 5.960
92 HB2 PRO 18 HB2 PRO 18 0.202 0.693 8.310
93 HB3 PRO 18 HB1 PRO 18 0.321 2.306 7.597
94 HG2 PRO 18 HG2 PRO 18 -2.013 0.429 7.644
95 HG3 PRO 18 HG1 PRO 18 -1.980 2.181 7.915
96 HD2 PRO 18 HD2 PRO 18 -2.651 0.965 5.516
97 HD3 PRO 18 HD1 PRO 18 -2.086 2.638 5.683
98 H THR 19 HN THR 19 2.245 -0.912 5.574
99 HA THR 19 HA THR 19 0.594 -3.299 5.643
100 HB THR 19 HB THR 19 2.293 -4.416 4.525
101 HG1 THR 19 HG1 THR 19 4.487 -3.704 4.600
102 HG21 THR 19 HG21 THR 19 2.208 -1.525 3.792
103 HG22 THR 19 HG22 THR 19 1.648 -2.933 2.888
104 HG23 THR 19 HG23 THR 19 3.373 -2.573 2.981
105 H SER 20 HN SER 20 2.423 -1.586 7.870
106 HA SER 20 HA SER 20 2.339 -3.814 9.721
107 HB2 SER 20 HB2 SER 20 4.964 -2.368 9.416
108 HB3 SER 20 HB1 SER 20 4.632 -3.878 10.266
109 HG SER 20 HG SER 20 5.432 -3.567 7.770
110 H GLN 21 HN GLN 21 4.464 -1.088 10.169
111 HA GLN 21 HA GLN 21 2.557 0.601 11.462
112 HB2 GLN 21 HB2 GLN 21 3.550 -1.483 13.030
113 HB3 GLN 21 HB1 GLN 21 4.514 -0.087 13.497
114 HG2 GLN 21 HG2 GLN 21 2.333 1.153 13.795
115 HG3 GLN 21 HG1 GLN 21 1.534 -0.410 13.635
116 HE21 GLN 21 HE21 GLN 21 0.789 0.238 15.821
117 HE22 GLN 21 HE22 GLN 21 1.771 -0.206 17.170
118 H THR 22 HN THR 22 5.661 -0.198 10.336
119 HA THR 22 HA THR 22 6.542 2.589 10.705
120 HB THR 22 HB THR 22 8.818 1.899 10.969
121 HG1 THR 22 HG1 THR 22 8.914 0.112 9.616
122 HG21 THR 22 HG21 THR 22 7.233 0.001 12.691
123 HG22 THR 22 HG22 THR 22 7.262 1.743 12.961
124 HG23 THR 22 HG23 THR 22 8.753 0.810 13.077
125 H THR 23 HN THR 23 5.532 0.354 8.552
126 HA THR 23 HA THR 23 7.259 1.358 6.387
127 HB THR 23 HB THR 23 6.322 -0.634 5.094
128 HG1 THR 23 HG1 THR 23 4.732 -1.537 6.204
129 HG21 THR 23 HG21 THR 23 8.013 -2.092 5.891
130 HG22 THR 23 HG22 THR 23 7.952 -1.394 7.511
131 HG23 THR 23 HG23 THR 23 8.612 -0.457 6.171
132 H TRP 24 HN TRP 24 6.134 1.525 4.237
133 HA TRP 24 HA TRP 24 3.284 2.062 4.334
134 HB2 TRP 24 HB2 TRP 24 5.360 4.200 4.113
135 HB3 TRP 24 HB1 TRP 24 3.870 4.372 3.194
136 HD1 TRP 24 HD1 TRP 24 5.293 5.087 6.514
137 HE1 TRP 24 HE1 TRP 24 3.444 5.800 8.162
138 HE3 TRP 24 HE3 TRP 24 1.225 3.717 3.780
139 HZ2 TRP 24 HZ2 TRP 24 0.626 5.782 8.276
140 HZ3 TRP 24 HZ3 TRP 24 -1.018 4.113 4.714
141 HH2 TRP 24 HH2 TRP 24 -1.308 5.113 6.918
142 H GLY 25 HN GLY 25 2.301 1.915 2.346
143 HA2 GLY 25 HA2 GLY 25 4.086 1.487 0.028
144 HA3 GLY 25 HA1 GLY 25 2.719 0.431 0.348
145 H CYS 26 HN CYS 26 3.077 1.831 -2.078
146 HA CYS 26 HA CYS 26 0.933 3.848 -1.920
147 HB2 CYS 26 HB2 CYS 26 3.399 3.667 -3.581
148 HB3 CYS 26 HB1 CYS 26 1.973 4.392 -4.314
149 H CYS 27 HN CYS 27 -0.896 3.537 -3.034
150 HA CYS 27 HA CYS 27 -1.003 1.270 -4.912
151 HB2 CYS 27 HB2 CYS 27 -2.392 1.536 -2.512
152 HB3 CYS 27 HB1 CYS 27 -3.573 1.982 -3.738
153 HA PRO 28 HA PRO 28 -2.218 4.532 -7.721
154 HB2 PRO 28 HB2 PRO 28 -2.519 3.003 -9.925
155 HB3 PRO 28 HB1 PRO 28 -0.931 3.434 -9.279
156 HG2 PRO 28 HG2 PRO 28 -2.482 0.895 -8.961
157 HG3 PRO 28 HG1 PRO 28 -0.752 1.117 -9.280
158 HD2 PRO 28 HD2 PRO 28 -1.754 0.565 -6.808
159 HD3 PRO 28 HD1 PRO 28 -0.266 1.498 -7.067
160 H SER 29 HN SER 29 -4.241 3.269 -5.983
161 HA SER 29 HA SER 29 -6.527 3.280 -7.841
162 HB2 SER 29 HB2 SER 29 -5.789 1.385 -5.833
163 HB3 SER 29 HB1 SER 29 -7.284 2.171 -5.326
164 HG SER 29 HG SER 29 -6.770 0.750 -7.718
165 HA PRO 30 HA PRO 30 -8.227 6.929 -6.051
166 HB2 PRO 30 HB2 PRO 30 -10.708 5.342 -5.564
167 HB3 PRO 30 HB1 PRO 30 -10.510 6.901 -6.374
168 HG2 PRO 30 HG2 PRO 30 -10.915 4.685 -7.789
169 HG3 PRO 30 HG1 PRO 30 -9.783 5.929 -8.352
170 HD2 PRO 30 HD2 PRO 30 -9.222 3.275 -7.113
171 HD3 PRO 30 HD1 PRO 30 -8.323 4.148 -8.369
172 H LYS 31 HN LYS 31 -10.087 4.514 -4.246
173 HA LYS 31 HA LYS 31 -9.196 5.724 -1.745
174 HB2 LYS 31 HB2 LYS 31 -11.624 5.251 -2.183
175 HB3 LYS 31 HB1 LYS 31 -11.240 3.535 -2.170
176 HG2 LYS 31 HG2 LYS 31 -10.390 3.820 0.158
177 HG3 LYS 31 HG1 LYS 31 -11.004 5.475 0.116
178 HD2 LYS 31 HD2 LYS 31 -13.254 4.475 -0.488
179 HD3 LYS 31 HD1 LYS 31 -12.565 2.908 -0.063
180 HE2 LYS 31 HE2 LYS 31 -12.126 3.671 2.189
181 HE3 LYS 31 HE1 LYS 31 -12.684 5.292 1.779
182 HZ1 LYS 31 HZ1 LYS 31 -14.890 4.435 1.418
183 HZ2 LYS 31 HZ2 LYS 31 -14.365 3.983 2.962
184 HZ3 LYS 31 HZ3 LYS 31 -14.372 2.850 1.706
185 H ALA 32 HN ALA 32 -9.597 2.452 -3.060
186 HA ALA 32 HA ALA 32 -8.413 0.539 -2.849
187 HB1 ALA 32 HB1 ALA 32 -6.472 1.447 -3.651
188 HB2 ALA 32 HB2 ALA 32 -5.947 0.886 -2.063
189 HB3 ALA 32 HB3 ALA 32 -6.322 2.591 -2.317
190 H VAL 33 HN VAL 33 -8.642 -0.994 -1.400
191 HA VAL 33 HA VAL 33 -8.728 -0.293 1.442
192 HB VAL 33 HB VAL 33 -9.501 -2.893 0.100
193 HG11 VAL 33 HG11 VAL 33 -9.058 -2.240 2.821
194 HG12 VAL 33 HG12 VAL 33 -9.678 -3.746 2.142
195 HG13 VAL 33 HG13 VAL 33 -10.794 -2.457 2.595
196 HG21 VAL 33 HG21 VAL 33 -11.692 -2.184 -0.012
197 HG22 VAL 33 HG22 VAL 33 -10.828 -0.693 -0.386
198 HG23 VAL 33 HG23 VAL 33 -11.471 -0.957 1.235
199 H CYS 34 HN CYS 34 -6.937 -0.558 2.597
200 HA CYS 34 HA CYS 34 -4.660 -1.914 1.598
201 HB2 CYS 34 HB2 CYS 34 -4.995 -1.197 4.489
202 HB3 CYS 34 HB1 CYS 34 -3.546 -1.137 3.492
203 H CYS 35 HN CYS 35 -5.117 -4.105 1.239
204 HA CYS 35 HA CYS 35 -6.378 -5.871 2.955
205 HB2 CYS 35 HB2 CYS 35 -5.132 -6.101 0.540
206 HB3 CYS 35 HB1 CYS 35 -3.996 -6.953 1.581
207 H ASP 36 HN ASP 36 -5.968 -5.972 5.053
208 HA ASP 36 HA ASP 36 -3.233 -5.793 6.031
209 HB2 ASP 36 HB2 ASP 36 -5.610 -4.772 6.967
210 HB3 ASP 36 HB1 ASP 36 -5.334 -6.147 8.033
211 H ASP 37 HN ASP 37 -5.532 -8.292 5.363
212 HA ASP 37 HA ASP 37 -5.047 -10.122 7.373
213 HB2 ASP 37 HB2 ASP 37 -6.034 -10.190 4.637
214 HB3 ASP 37 HB1 ASP 37 -5.127 -11.646 5.035
215 H MET 38 HN MET 38 -3.181 -9.425 4.475
216 HA MET 38 HA MET 38 -0.922 -10.907 5.639
217 HB2 MET 38 HB2 MET 38 -0.257 -11.042 3.073
218 HB3 MET 38 HB1 MET 38 -1.298 -12.249 3.816
219 HG2 MET 38 HG2 MET 38 -3.217 -11.380 2.824
220 HG3 MET 38 HG1 MET 38 -2.442 -9.840 2.457
221 HE1 MET 38 HE1 MET 38 -2.960 -13.613 0.558
222 HE2 MET 38 HE2 MET 38 -3.673 -12.358 -0.454
223 HE3 MET 38 HE3 MET 38 -4.042 -12.416 1.270
224 H GLN 39 HN GLN 39 -0.544 -9.223 2.644
225 HA GLN 39 HA GLN 39 0.204 -6.716 3.842
226 HB2 GLN 39 HB2 GLN 39 2.279 -8.564 2.655
227 HB3 GLN 39 HB1 GLN 39 2.528 -6.831 2.796
228 HG2 GLN 39 HG2 GLN 39 1.910 -7.272 5.308
229 HG3 GLN 39 HG1 GLN 39 2.418 -8.912 4.914
230 HE21 GLN 39 HE21 GLN 39 4.565 -9.300 4.359
231 HE22 GLN 39 HE22 GLN 39 5.822 -8.169 4.714
232 H HIS 40 HN HIS 40 -1.562 -6.114 2.350
233 HA HIS 40 HA HIS 40 -0.485 -5.389 -0.224
234 HB2 HIS 40 HB2 HIS 40 -1.539 -7.900 -0.138
235 HB3 HIS 40 HB1 HIS 40 -2.929 -6.955 -0.662
236 HD1 HIS 40 HD1 HIS 40 -3.099 -7.102 -3.116
237 HD2 HIS 40 HD2 HIS 40 0.854 -6.823 -1.866
238 HE1 HIS 40 HE1 HIS 40 -1.730 -7.046 -5.224
239 HE2 HIS 40 HE2 HIS 40 0.664 -6.944 -4.443
240 H CYS 41 HN CYS 41 -2.526 -4.812 -1.721
241 HA CYS 41 HA CYS 41 -4.522 -3.306 -0.220
242 HB2 CYS 41 HB2 CYS 41 -3.148 -1.484 -0.437
243 HB3 CYS 41 HB1 CYS 41 -2.328 -2.135 -1.851
244 H CYS 42 HN CYS 42 -6.415 -2.894 -1.416
245 HA CYS 42 HA CYS 42 -6.539 -4.234 -4.034
246 HB2 CYS 42 HB2 CYS 42 -8.045 -4.719 -1.626
247 HB3 CYS 42 HB1 CYS 42 -9.126 -4.222 -2.924
248 HA PRO 43 HA PRO 43 -8.122 -0.549 -5.836
249 HB2 PRO 43 HB2 PRO 43 -10.029 -1.531 -7.535
250 HB3 PRO 43 HB1 PRO 43 -8.293 -1.598 -7.855
251 HG2 PRO 43 HG2 PRO 43 -10.103 -3.719 -6.763
252 HG3 PRO 43 HG1 PRO 43 -8.813 -3.861 -7.973
253 HD2 PRO 43 HD2 PRO 43 -8.438 -4.604 -5.419
254 HD3 PRO 43 HD1 PRO 43 -7.139 -3.858 -6.373
255 H ALA 44 HN ALA 44 -9.474 0.960 -5.191
256 HA ALA 44 HA ALA 44 -11.339 0.784 -3.227
257 HB1 ALA 44 HB1 ALA 44 -12.098 2.935 -3.826
258 HB2 ALA 44 HB2 ALA 44 -11.688 2.692 -5.525
259 HB3 ALA 44 HB3 ALA 44 -10.407 2.869 -4.324
260 H GLY 45 HN GLY 45 -13.373 0.070 -2.986
261 HA2 GLY 45 HA2 GLY 45 -15.607 -0.269 -3.714
262 HA3 GLY 45 HA1 GLY 45 -15.031 -0.315 -5.372
263 H TYR 46 HN TYR 46 -12.823 -2.175 -3.963
264 HA TYR 46 HA TYR 46 -14.466 -4.602 -4.260
265 HB2 TYR 46 HB2 TYR 46 -11.540 -4.160 -4.879
266 HB3 TYR 46 HB1 TYR 46 -12.326 -5.734 -4.900
267 HD1 TYR 46 HD1 TYR 46 -13.144 -6.525 -6.906
268 HD2 TYR 46 HD2 TYR 46 -12.716 -2.324 -6.387
269 HE1 TYR 46 HE1 TYR 46 -13.810 -6.174 -9.246
270 HE2 TYR 46 HE2 TYR 46 -13.382 -1.962 -8.727
271 HH TYR 46 HH TYR 46 -13.292 -4.118 -11.019
272 H LYS 47 HN LYS 47 -13.575 -6.515 -3.064
273 HA LYS 47 HA LYS 47 -12.494 -5.699 -0.449
274 HB2 LYS 47 HB2 LYS 47 -14.968 -6.372 -0.554
275 HB3 LYS 47 HB1 LYS 47 -14.388 -8.006 -0.848
276 HG2 LYS 47 HG2 LYS 47 -13.026 -6.919 1.415
277 HG3 LYS 47 HG1 LYS 47 -14.766 -6.712 1.619
278 HD2 LYS 47 HD2 LYS 47 -13.462 -9.319 0.850
279 HD3 LYS 47 HD1 LYS 47 -13.855 -8.869 2.510
280 HE2 LYS 47 HE2 LYS 47 -15.780 -9.222 0.217
281 HE3 LYS 47 HE1 LYS 47 -15.608 -10.268 1.626
282 HZ1 LYS 47 HZ1 LYS 47 -16.431 -7.419 1.757
283 HZ2 LYS 47 HZ2 LYS 47 -16.418 -8.531 3.031
284 HZ3 LYS 47 HZ3 LYS 47 -17.511 -8.721 1.755
285 H CYS 48 HN CYS 48 -11.317 -7.383 0.710
286 HA CYS 48 HA CYS 48 -9.639 -8.902 -1.102
287 HB2 CYS 48 HB2 CYS 48 -9.496 -8.064 1.752
288 HB3 CYS 48 HB1 CYS 48 -8.595 -9.500 1.277
289 H GLY 49 HN GLY 49 -9.335 -11.134 -1.060
290 HA2 GLY 49 HA2 GLY 49 -11.141 -12.705 0.641
291 HA3 GLY 49 HA1 GLY 49 -11.242 -12.913 -1.101
292 HA PRO 50 HA PRO 50 -7.981 -15.749 0.982
293 HB2 PRO 50 HB2 PRO 50 -9.746 -17.856 -0.116
294 HB3 PRO 50 HB1 PRO 50 -8.959 -17.757 1.461
295 HG2 PRO 50 HG2 PRO 50 -11.590 -17.376 1.207
296 HG3 PRO 50 HG1 PRO 50 -10.630 -16.431 2.361
297 HD2 PRO 50 HD2 PRO 50 -11.682 -15.641 -0.328
298 HD3 PRO 50 HD1 PRO 50 -11.594 -14.692 1.172
299 H GLY 51 HN GLY 51 -6.384 -16.820 -0.172
300 HA2 GLY 51 HA2 GLY 51 -5.475 -17.888 -2.085
301 HA3 GLY 51 HA1 GLY 51 -6.800 -17.242 -3.042
302 H GLY 52 HN GLY 52 -6.549 -14.533 -2.081
303 HA2 GLY 52 HA2 GLY 52 -4.846 -12.800 -2.069
304 HA3 GLY 52 HA1 GLY 52 -3.907 -13.796 -3.172
305 H THR 53 HN THR 53 -7.361 -13.221 -3.443
306 HA THR 53 HA THR 53 -6.866 -11.518 -5.795
307 HB THR 53 HB THR 53 -8.501 -12.623 -7.092
308 HG1 THR 53 HG1 THR 53 -9.416 -13.458 -4.633
309 HG21 THR 53 HG21 THR 53 -7.543 -14.699 -7.451
310 HG22 THR 53 HG22 THR 53 -7.312 -15.006 -5.729
311 HG23 THR 53 HG23 THR 53 -6.263 -13.865 -6.570
312 H CYS 54 HN CYS 54 -8.617 -10.083 -6.347
313 HA CYS 54 HA CYS 54 -10.111 -9.252 -3.975
314 HB2 CYS 54 HB2 CYS 54 -8.646 -7.802 -5.788
315 HB3 CYS 54 HB1 CYS 54 -10.293 -7.554 -6.360
316 H ILE 55 HN ILE 55 -12.284 -9.234 -3.856
317 HA ILE 55 HA ILE 55 -13.789 -10.127 -6.231
318 HB ILE 55 HB ILE 55 -15.394 -11.147 -4.504
319 HG12 ILE 55 HG12 ILE 55 -13.064 -11.571 -2.730
320 HG13 ILE 55 HG11 ILE 55 -13.774 -9.960 -2.684
321 HG21 ILE 55 HG21 ILE 55 -13.587 -12.256 -6.057
322 HG22 ILE 55 HG22 ILE 55 -14.446 -13.202 -4.841
323 HG23 ILE 55 HG23 ILE 55 -12.811 -12.625 -4.516
324 HD11 ILE 55 HD11 ILE 55 -14.588 -11.960 -1.127
325 HD12 ILE 55 HD12 ILE 55 -15.647 -12.233 -2.512
326 HD13 ILE 55 HD13 ILE 55 -15.662 -10.678 -1.682
327 H SER 56 HN SER 56 -16.122 -9.563 -6.156
328 HA SER 56 HA SER 56 -16.534 -6.978 -4.801
329 HB2 SER 56 HB2 SER 56 -17.690 -6.148 -6.668
330 HB3 SER 56 HB1 SER 56 -16.346 -7.037 -7.385
331 HG SER 56 HG SER 56 -17.694 -8.509 -8.129
Start of MODEL 9
1 H1 ASP 1 HT1 ASP 1 2.021 16.637 -4.211
2 H2 ASP 1 HT2 ASP 1 3.229 16.368 -5.365
3 H3 ASP 1 HT3 ASP 1 3.650 16.660 -3.753
4 HA ASP 1 HA ASP 1 2.591 14.234 -4.996
5 HB2 ASP 1 HB2 ASP 1 4.676 14.919 -2.916
6 HB3 ASP 1 HB1 ASP 1 4.230 13.263 -3.316
7 H VAL 2 HN VAL 2 2.129 12.475 -3.277
8 HA VAL 2 HA VAL 2 0.053 13.552 -1.512
9 HB VAL 2 HB VAL 2 0.546 10.667 -2.257
10 HG11 VAL 2 HG11 VAL 2 -1.102 11.881 -0.302
11 HG12 VAL 2 HG12 VAL 2 -1.024 10.181 -0.766
12 HG13 VAL 2 HG13 VAL 2 -2.152 11.266 -1.578
13 HG21 VAL 2 HG21 VAL 2 -0.640 10.913 -4.143
14 HG22 VAL 2 HG22 VAL 2 -0.246 12.626 -3.987
15 HG23 VAL 2 HG23 VAL 2 -1.790 12.017 -3.389
16 H GLN 3 HN GLN 3 1.028 14.173 0.342
17 HA GLN 3 HA GLN 3 3.159 12.805 1.596
18 HB2 GLN 3 HB2 GLN 3 2.247 15.252 1.892
19 HB3 GLN 3 HB1 GLN 3 1.260 14.519 3.150
20 HG2 GLN 3 HG2 GLN 3 3.713 13.529 3.757
21 HG3 GLN 3 HG1 GLN 3 4.126 15.114 3.104
22 HE21 GLN 3 HE21 GLN 3 2.527 13.386 5.647
23 HE22 GLN 3 HE22 GLN 3 2.292 14.736 6.700
24 H CYS 4 HN CYS 4 3.004 10.801 2.356
25 HA CYS 4 HA CYS 4 0.514 9.727 3.333
26 HB2 CYS 4 HB2 CYS 4 3.307 8.547 3.232
27 HB3 CYS 4 HB1 CYS 4 1.871 7.672 3.756
28 H GLY 5 HN GLY 5 3.396 11.117 4.641
29 HA2 GLY 5 HA2 GLY 5 3.031 12.114 6.910
30 HA3 GLY 5 HA1 GLY 5 2.439 10.524 7.373
31 H GLY 6 HN GLY 6 4.475 11.611 8.824
32 HA2 GLY 6 HA2 GLY 6 7.084 11.298 8.120
33 HA3 GLY 6 HA1 GLY 6 6.481 10.888 9.719
34 H GLY 7 HN GLY 7 7.354 9.656 6.567
35 HA2 GLY 7 HA2 GLY 7 8.427 7.277 7.390
36 HA3 GLY 7 HA1 GLY 7 6.721 6.927 7.169
37 H PHE 8 HN PHE 8 5.802 7.590 4.978
38 HA PHE 8 HA PHE 8 7.834 7.028 2.913
39 HB2 PHE 8 HB2 PHE 8 5.133 5.949 3.404
40 HB3 PHE 8 HB1 PHE 8 5.515 6.303 1.723
41 HD1 PHE 8 HD1 PHE 8 6.766 4.455 4.694
42 HD2 PHE 8 HD2 PHE 8 6.771 4.821 0.454
43 HE1 PHE 8 HE1 PHE 8 7.993 2.329 4.515
44 HE2 PHE 8 HE2 PHE 8 7.996 2.696 0.267
45 HZ PHE 8 HZ PHE 8 8.609 1.447 2.298
46 H SER 9 HN SER 9 6.625 7.465 0.659
47 HA SER 9 HA SER 9 5.059 9.818 0.440
48 HB2 SER 9 HB2 SER 9 7.194 10.841 -0.941
49 HB3 SER 9 HB1 SER 9 6.733 11.327 0.690
50 HG SER 9 HG SER 9 8.612 10.608 1.266
51 H CYS 10 HN CYS 10 4.316 10.088 -1.692
52 HA CYS 10 HA CYS 10 5.496 8.385 -3.754
53 HB2 CYS 10 HB2 CYS 10 2.942 7.895 -2.422
54 HB3 CYS 10 HB1 CYS 10 2.812 7.962 -4.174
55 H HIS 11 HN HIS 11 3.827 8.618 -5.777
56 HA HIS 11 HA HIS 11 4.019 11.429 -6.454
57 HB2 HIS 11 HB2 HIS 11 2.993 9.342 -8.338
58 HB3 HIS 11 HB1 HIS 11 3.946 10.783 -8.681
59 HD1 HIS 11 HD1 HIS 11 4.241 7.191 -7.980
60 HD2 HIS 11 HD2 HIS 11 6.742 10.508 -8.008
61 HE1 HIS 11 HE1 HIS 11 6.579 6.267 -7.990
62 HE2 HIS 11 HE2 HIS 11 8.075 8.294 -7.907
63 H ASP 12 HN ASP 12 2.379 12.623 -7.477
64 HA ASP 12 HA ASP 12 -0.044 12.766 -6.163
65 HB2 ASP 12 HB2 ASP 12 -0.805 14.020 -8.305
66 HB3 ASP 12 HB1 ASP 12 0.536 14.681 -7.374
67 H GLY 13 HN GLY 13 -2.001 11.820 -6.364
68 HA2 GLY 13 HA2 GLY 13 -3.721 10.688 -7.554
69 HA3 GLY 13 HA1 GLY 13 -2.515 10.128 -8.705
70 H GLU 14 HN GLU 14 -1.055 9.696 -5.842
71 HA GLU 14 HA GLU 14 -1.724 6.856 -5.810
72 HB2 GLU 14 HB2 GLU 14 0.200 6.574 -4.433
73 HB3 GLU 14 HB1 GLU 14 0.637 7.729 -5.687
74 HG2 GLU 14 HG2 GLU 14 1.409 8.974 -4.012
75 HG3 GLU 14 HG1 GLU 14 -0.283 9.368 -3.719
76 H THR 15 HN THR 15 -1.828 5.800 -3.586
77 HA THR 15 HA THR 15 -3.388 7.418 -1.689
78 HB THR 15 HB THR 15 -4.069 4.597 -2.551
79 HG1 THR 15 HG1 THR 15 -4.826 5.996 -4.096
80 HG21 THR 15 HG21 THR 15 -4.709 6.094 -0.176
81 HG22 THR 15 HG22 THR 15 -5.113 4.427 -0.588
82 HG23 THR 15 HG23 THR 15 -6.173 5.742 -1.095
83 H CYS 16 HN CYS 16 -2.719 7.231 0.359
84 HA CYS 16 HA CYS 16 -0.567 5.361 0.936
85 HB2 CYS 16 HB2 CYS 16 -1.688 7.507 2.737
86 HB3 CYS 16 HB1 CYS 16 -0.132 6.690 2.886
87 H CYS 17 HN CYS 17 -0.948 3.452 1.808
88 HA CYS 17 HA CYS 17 -3.201 3.189 3.686
89 HB2 CYS 17 HB2 CYS 17 -4.136 1.735 2.261
90 HB3 CYS 17 HB1 CYS 17 -2.726 1.768 1.214
91 HA PRO 18 HA PRO 18 0.252 1.844 6.204
92 HB2 PRO 18 HB2 PRO 18 -0.962 1.991 8.576
93 HB3 PRO 18 HB1 PRO 18 -0.570 3.456 7.663
94 HG2 PRO 18 HG2 PRO 18 -3.189 2.022 7.905
95 HG3 PRO 18 HG1 PRO 18 -2.856 3.764 7.974
96 HD2 PRO 18 HD2 PRO 18 -3.757 2.448 5.730
97 HD3 PRO 18 HD1 PRO 18 -2.844 3.969 5.695
98 H THR 19 HN THR 19 -0.143 -0.278 5.012
99 HA THR 19 HA THR 19 -1.668 -2.244 6.523
100 HB THR 19 HB THR 19 -1.814 -2.292 4.078
101 HG1 THR 19 HG1 THR 19 -1.504 -4.314 5.629
102 HG21 THR 19 HG21 THR 19 1.011 -1.982 4.238
103 HG22 THR 19 HG22 THR 19 -0.014 -1.985 2.803
104 HG23 THR 19 HG23 THR 19 0.668 -3.498 3.402
105 H SER 20 HN SER 20 1.246 -0.939 6.995
106 HA SER 20 HA SER 20 2.403 -3.489 7.914
107 HB2 SER 20 HB2 SER 20 4.039 -1.100 7.065
108 HB3 SER 20 HB1 SER 20 4.595 -2.747 7.362
109 HG SER 20 HG SER 20 2.695 -2.180 5.356
110 H GLN 21 HN GLN 21 4.499 -2.588 9.374
111 HA GLN 21 HA GLN 21 3.152 -1.467 11.687
112 HB2 GLN 21 HB2 GLN 21 5.166 -3.368 11.322
113 HB3 GLN 21 HB1 GLN 21 5.980 -1.988 12.044
114 HG2 GLN 21 HG2 GLN 21 3.514 -3.295 13.166
115 HG3 GLN 21 HG1 GLN 21 5.162 -3.633 13.692
116 HE21 GLN 21 HE21 GLN 21 2.459 -1.904 14.369
117 HE22 GLN 21 HE22 GLN 21 3.153 -0.635 15.314
118 H THR 22 HN THR 22 6.163 -0.794 9.887
119 HA THR 22 HA THR 22 5.873 2.028 10.678
120 HB THR 22 HB THR 22 7.711 0.934 11.938
121 HG1 THR 22 HG1 THR 22 9.274 2.556 11.361
122 HG21 THR 22 HG21 THR 22 9.309 -0.312 10.978
123 HG22 THR 22 HG22 THR 22 9.547 0.848 9.672
124 HG23 THR 22 HG23 THR 22 8.258 -0.350 9.562
125 H THR 23 HN THR 23 5.159 0.475 8.194
126 HA THR 23 HA THR 23 6.691 2.139 6.303
127 HB THR 23 HB THR 23 7.079 0.438 4.883
128 HG1 THR 23 HG1 THR 23 5.511 -0.975 4.232
129 HG21 THR 23 HG21 THR 23 6.917 -1.889 6.053
130 HG22 THR 23 HG22 THR 23 6.501 -0.935 7.476
131 HG23 THR 23 HG23 THR 23 8.045 -0.680 6.665
132 H TRP 24 HN TRP 24 5.394 2.110 4.081
133 HA TRP 24 HA TRP 24 2.525 2.441 4.584
134 HB2 TRP 24 HB2 TRP 24 4.455 4.561 3.750
135 HB3 TRP 24 HB1 TRP 24 2.840 4.585 3.052
136 HD1 TRP 24 HD1 TRP 24 4.715 5.303 6.258
137 HE1 TRP 24 HE1 TRP 24 3.106 6.376 7.957
138 HE3 TRP 24 HE3 TRP 24 0.338 4.594 3.757
139 HZ2 TRP 24 HZ2 TRP 24 0.334 6.864 8.192
140 HZ3 TRP 24 HZ3 TRP 24 -1.756 5.387 4.777
141 HH2 TRP 24 HH2 TRP 24 -1.754 6.494 6.950
142 H GLY 25 HN GLY 25 1.345 1.557 3.007
143 HA2 GLY 25 HA2 GLY 25 2.706 0.610 0.616
144 HA3 GLY 25 HA1 GLY 25 1.085 0.179 1.122
145 H CYS 26 HN CYS 26 2.579 1.450 -1.304
146 HA CYS 26 HA CYS 26 0.908 3.798 -1.748
147 HB2 CYS 26 HB2 CYS 26 3.443 3.567 -2.304
148 HB3 CYS 26 HB1 CYS 26 2.882 2.699 -3.728
149 H CYS 27 HN CYS 27 -1.076 3.438 -2.510
150 HA CYS 27 HA CYS 27 -1.454 1.298 -4.499
151 HB2 CYS 27 HB2 CYS 27 -2.784 1.685 -2.100
152 HB3 CYS 27 HB1 CYS 27 -3.895 2.351 -3.294
153 HA PRO 28 HA PRO 28 -2.402 4.598 -7.334
154 HB2 PRO 28 HB2 PRO 28 -3.135 3.116 -9.449
155 HB3 PRO 28 HB1 PRO 28 -1.455 3.192 -8.903
156 HG2 PRO 28 HG2 PRO 28 -3.510 1.071 -8.416
157 HG3 PRO 28 HG1 PRO 28 -1.796 0.894 -8.835
158 HD2 PRO 28 HD2 PRO 28 -2.775 0.661 -6.286
159 HD3 PRO 28 HD1 PRO 28 -1.115 1.161 -6.664
160 H SER 29 HN SER 29 -4.699 2.079 -6.515
161 HA SER 29 HA SER 29 -6.968 3.001 -7.836
162 HB2 SER 29 HB2 SER 29 -6.445 1.300 -5.461
163 HB3 SER 29 HB1 SER 29 -8.072 1.965 -5.606
164 HG SER 29 HG SER 29 -8.443 0.551 -7.100
165 HA PRO 30 HA PRO 30 -8.355 6.787 -6.058
166 HB2 PRO 30 HB2 PRO 30 -10.898 5.367 -5.395
167 HB3 PRO 30 HB1 PRO 30 -10.654 6.897 -6.243
168 HG2 PRO 30 HG2 PRO 30 -11.271 4.695 -7.596
169 HG3 PRO 30 HG1 PRO 30 -10.092 5.852 -8.241
170 HD2 PRO 30 HD2 PRO 30 -9.639 3.186 -6.982
171 HD3 PRO 30 HD1 PRO 30 -8.750 3.981 -8.298
172 H LYS 31 HN LYS 31 -10.282 4.568 -4.085
173 HA LYS 31 HA LYS 31 -9.197 5.796 -1.677
174 HB2 LYS 31 HB2 LYS 31 -11.337 3.671 -1.857
175 HB3 LYS 31 HB1 LYS 31 -11.004 4.744 -0.505
176 HG2 LYS 31 HG2 LYS 31 -11.513 6.421 -2.681
177 HG3 LYS 31 HG1 LYS 31 -12.722 5.139 -2.767
178 HD2 LYS 31 HD2 LYS 31 -12.547 5.854 -0.060
179 HD3 LYS 31 HD1 LYS 31 -12.554 7.371 -0.963
180 HE2 LYS 31 HE2 LYS 31 -14.814 6.943 -0.614
181 HE3 LYS 31 HE1 LYS 31 -14.533 6.348 -2.251
182 HZ1 LYS 31 HZ1 LYS 31 -14.679 4.168 -1.577
183 HZ2 LYS 31 HZ2 LYS 31 -15.828 4.898 -0.573
184 HZ3 LYS 31 HZ3 LYS 31 -14.299 4.509 0.035
185 H ALA 32 HN ALA 32 -9.808 2.494 -2.838
186 HA ALA 32 HA ALA 32 -8.754 0.520 -2.517
187 HB1 ALA 32 HB1 ALA 32 -6.349 0.504 -2.384
188 HB2 ALA 32 HB2 ALA 32 -6.332 2.212 -1.942
189 HB3 ALA 32 HB3 ALA 32 -6.880 1.720 -3.546
190 H VAL 33 HN VAL 33 -9.181 -0.750 -0.894
191 HA VAL 33 HA VAL 33 -9.075 0.161 1.836
192 HB VAL 33 HB VAL 33 -9.572 -2.677 0.959
193 HG11 VAL 33 HG11 VAL 33 -9.249 -2.099 3.387
194 HG12 VAL 33 HG12 VAL 33 -10.780 -2.882 2.993
195 HG13 VAL 33 HG13 VAL 33 -10.726 -1.142 3.276
196 HG21 VAL 33 HG21 VAL 33 -11.030 -0.461 0.088
197 HG22 VAL 33 HG22 VAL 33 -11.984 -1.159 1.396
198 HG23 VAL 33 HG23 VAL 33 -11.520 -2.154 0.017
199 H CYS 34 HN CYS 34 -7.485 -0.152 3.267
200 HA CYS 34 HA CYS 34 -4.983 -1.212 2.423
201 HB2 CYS 34 HB2 CYS 34 -5.572 0.630 4.205
202 HB3 CYS 34 HB1 CYS 34 -5.632 -0.744 5.302
203 H CYS 35 HN CYS 35 -5.623 -3.423 1.847
204 HA CYS 35 HA CYS 35 -6.724 -5.312 3.532
205 HB2 CYS 35 HB2 CYS 35 -5.881 -5.483 1.047
206 HB3 CYS 35 HB1 CYS 35 -4.401 -6.073 1.794
207 H ASP 36 HN ASP 36 -6.170 -5.494 5.592
208 HA ASP 36 HA ASP 36 -3.370 -5.372 6.384
209 HB2 ASP 36 HB2 ASP 36 -5.957 -4.909 7.707
210 HB3 ASP 36 HB1 ASP 36 -4.735 -5.681 8.714
211 H ASP 37 HN ASP 37 -5.682 -7.803 5.692
212 HA ASP 37 HA ASP 37 -5.159 -9.758 7.570
213 HB2 ASP 37 HB2 ASP 37 -6.772 -9.803 5.557
214 HB3 ASP 37 HB1 ASP 37 -5.391 -10.383 4.630
215 H MET 38 HN MET 38 -3.340 -8.829 4.718
216 HA MET 38 HA MET 38 -1.057 -10.395 5.712
217 HB2 MET 38 HB2 MET 38 -2.293 -10.322 3.033
218 HB3 MET 38 HB1 MET 38 -0.542 -10.164 3.039
219 HG2 MET 38 HG2 MET 38 -1.893 -12.351 4.566
220 HG3 MET 38 HG1 MET 38 -1.580 -12.503 2.838
221 HE1 MET 38 HE1 MET 38 1.727 -11.422 2.451
222 HE2 MET 38 HE2 MET 38 0.421 -12.365 1.733
223 HE3 MET 38 HE3 MET 38 1.874 -13.174 2.320
224 H GLN 39 HN GLN 39 -0.777 -8.443 2.860
225 HA GLN 39 HA GLN 39 -0.061 -6.040 4.236
226 HB2 GLN 39 HB2 GLN 39 2.285 -6.062 3.154
227 HB3 GLN 39 HB1 GLN 39 2.045 -6.973 4.638
228 HG2 GLN 39 HG2 GLN 39 2.165 -9.010 3.566
229 HG3 GLN 39 HG1 GLN 39 1.733 -8.328 1.999
230 HE21 GLN 39 HE21 GLN 39 4.222 -7.556 4.408
231 HE22 GLN 39 HE22 GLN 39 5.556 -7.657 3.314
232 H HIS 40 HN HIS 40 -1.841 -5.395 2.747
233 HA HIS 40 HA HIS 40 -0.776 -4.327 0.321
234 HB2 HIS 40 HB2 HIS 40 -1.496 -6.985 0.107
235 HB3 HIS 40 HB1 HIS 40 -2.902 -6.134 -0.522
236 HD1 HIS 40 HD1 HIS 40 -2.777 -5.547 -2.919
237 HD2 HIS 40 HD2 HIS 40 0.995 -6.056 -1.254
238 HE1 HIS 40 HE1 HIS 40 -1.162 -5.309 -4.830
239 HE2 HIS 40 HE2 HIS 40 1.106 -5.730 -3.817
240 H CYS 41 HN CYS 41 -2.823 -3.953 -1.256
241 HA CYS 41 HA CYS 41 -5.045 -2.869 0.309
242 HB2 CYS 41 HB2 CYS 41 -4.935 -0.809 -1.196
243 HB3 CYS 41 HB1 CYS 41 -3.703 -0.930 0.056
244 H CYS 42 HN CYS 42 -7.010 -2.941 -0.751
245 HA CYS 42 HA CYS 42 -6.979 -4.271 -3.372
246 HB2 CYS 42 HB2 CYS 42 -8.460 -4.765 -0.946
247 HB3 CYS 42 HB1 CYS 42 -9.569 -4.443 -2.280
248 HA PRO 43 HA PRO 43 -8.670 -0.851 -5.558
249 HB2 PRO 43 HB2 PRO 43 -10.770 -2.797 -6.423
250 HB3 PRO 43 HB1 PRO 43 -9.810 -1.674 -7.395
251 HG2 PRO 43 HG2 PRO 43 -9.192 -4.253 -7.342
252 HG3 PRO 43 HG1 PRO 43 -7.917 -3.021 -7.320
253 HD2 PRO 43 HD2 PRO 43 -8.927 -4.741 -5.109
254 HD3 PRO 43 HD1 PRO 43 -7.290 -4.122 -5.403
255 H ALA 44 HN ALA 44 -9.998 0.751 -5.035
256 HA ALA 44 HA ALA 44 -11.609 0.778 -2.804
257 HB1 ALA 44 HB1 ALA 44 -12.210 2.932 -3.385
258 HB2 ALA 44 HB2 ALA 44 -12.255 2.567 -5.109
259 HB3 ALA 44 HB3 ALA 44 -10.705 2.715 -4.279
260 H GLY 45 HN GLY 45 -13.123 -0.827 -2.596
261 HA2 GLY 45 HA2 GLY 45 -15.597 -0.923 -2.892
262 HA3 GLY 45 HA1 GLY 45 -15.278 -0.834 -4.617
263 H TYR 46 HN TYR 46 -12.936 -2.710 -3.075
264 HA TYR 46 HA TYR 46 -14.472 -5.182 -3.445
265 HB2 TYR 46 HB2 TYR 46 -11.706 -4.670 -4.563
266 HB3 TYR 46 HB1 TYR 46 -12.550 -6.215 -4.597
267 HD1 TYR 46 HD1 TYR 46 -12.510 -2.790 -5.954
268 HD2 TYR 46 HD2 TYR 46 -14.264 -6.658 -6.209
269 HE1 TYR 46 HE1 TYR 46 -13.540 -2.173 -8.099
270 HE2 TYR 46 HE2 TYR 46 -15.299 -6.051 -8.356
271 HH TYR 46 HH TYR 46 -15.374 -2.827 -9.517
272 H LYS 47 HN LYS 47 -13.407 -7.075 -2.444
273 HA LYS 47 HA LYS 47 -11.737 -6.290 -0.146
274 HB2 LYS 47 HB2 LYS 47 -12.885 -7.983 1.194
275 HB3 LYS 47 HB1 LYS 47 -14.025 -6.798 0.567
276 HG2 LYS 47 HG2 LYS 47 -15.230 -8.415 -0.336
277 HG3 LYS 47 HG1 LYS 47 -13.845 -8.931 -1.301
278 HD2 LYS 47 HD2 LYS 47 -13.499 -10.722 -0.011
279 HD3 LYS 47 HD1 LYS 47 -13.627 -9.771 1.471
280 HE2 LYS 47 HE2 LYS 47 -15.844 -10.215 1.728
281 HE3 LYS 47 HE1 LYS 47 -16.135 -10.314 -0.009
282 HZ1 LYS 47 HZ1 LYS 47 -16.186 -12.442 1.476
283 HZ2 LYS 47 HZ2 LYS 47 -14.508 -12.396 1.265
284 HZ3 LYS 47 HZ3 LYS 47 -15.525 -12.498 -0.081
285 H CYS 48 HN CYS 48 -10.451 -8.075 0.778
286 HA CYS 48 HA CYS 48 -9.165 -9.564 -1.348
287 HB2 CYS 48 HB2 CYS 48 -8.436 -9.662 1.575
288 HB3 CYS 48 HB1 CYS 48 -7.402 -9.962 0.183
289 H GLY 49 HN GLY 49 -8.805 -11.841 -1.308
290 HA2 GLY 49 HA2 GLY 49 -10.666 -13.347 0.416
291 HA3 GLY 49 HA1 GLY 49 -10.617 -13.638 -1.315
292 HA PRO 50 HA PRO 50 -7.567 -16.390 1.116
293 HB2 PRO 50 HB2 PRO 50 -9.242 -18.572 0.051
294 HB3 PRO 50 HB1 PRO 50 -8.629 -18.321 1.689
295 HG2 PRO 50 HG2 PRO 50 -11.222 -17.986 1.102
296 HG3 PRO 50 HG1 PRO 50 -10.395 -16.955 2.285
297 HD2 PRO 50 HD2 PRO 50 -11.111 -16.373 -0.566
298 HD3 PRO 50 HD1 PRO 50 -11.223 -15.320 0.861
299 H GLY 51 HN GLY 51 -8.985 -16.281 -2.054
300 HA2 GLY 51 HA2 GLY 51 -7.041 -18.042 -3.260
301 HA3 GLY 51 HA1 GLY 51 -8.257 -17.094 -4.102
302 H GLY 52 HN GLY 52 -6.310 -15.372 -1.868
303 HA2 GLY 52 HA2 GLY 52 -4.694 -13.768 -2.143
304 HA3 GLY 52 HA1 GLY 52 -4.056 -14.788 -3.423
305 H THR 53 HN THR 53 -7.299 -13.762 -3.817
306 HA THR 53 HA THR 53 -6.429 -11.618 -5.642
307 HB THR 53 HB THR 53 -8.743 -12.423 -6.800
308 HG1 THR 53 HG1 THR 53 -8.092 -14.887 -6.862
309 HG21 THR 53 HG21 THR 53 -6.068 -13.676 -7.411
310 HG22 THR 53 HG22 THR 53 -6.499 -12.022 -7.842
311 HG23 THR 53 HG23 THR 53 -7.393 -13.375 -8.536
312 H CYS 54 HN CYS 54 -8.293 -10.150 -6.246
313 HA CYS 54 HA CYS 54 -9.796 -9.524 -3.805
314 HB2 CYS 54 HB2 CYS 54 -8.171 -7.880 -5.087
315 HB3 CYS 54 HB1 CYS 54 -9.589 -7.619 -6.097
316 H ILE 55 HN ILE 55 -11.917 -9.807 -3.745
317 HA ILE 55 HA ILE 55 -13.360 -10.145 -6.295
318 HB ILE 55 HB ILE 55 -15.045 -11.394 -4.761
319 HG12 ILE 55 HG12 ILE 55 -12.607 -12.100 -3.177
320 HG13 ILE 55 HG11 ILE 55 -13.519 -10.661 -2.734
321 HG21 ILE 55 HG21 ILE 55 -12.453 -12.820 -5.259
322 HG22 ILE 55 HG22 ILE 55 -13.497 -12.297 -6.580
323 HG23 ILE 55 HG23 ILE 55 -14.100 -13.441 -5.381
324 HD11 ILE 55 HD11 ILE 55 -14.414 -12.315 -1.386
325 HD12 ILE 55 HD12 ILE 55 -14.372 -13.524 -2.670
326 HD13 ILE 55 HD13 ILE 55 -15.560 -12.221 -2.722
327 H SER 56 HN SER 56 -15.781 -9.696 -6.045
328 HA SER 56 HA SER 56 -16.086 -6.998 -5.188
329 HB2 SER 56 HB2 SER 56 -18.481 -7.338 -5.868
330 HB3 SER 56 HB1 SER 56 -17.312 -7.744 -7.123
331 HG SER 56 HG SER 56 -17.538 -9.961 -6.391
Start of MODEL 10
1 H1 ASP 1 HT1 ASP 1 1.906 15.091 -5.314
2 H2 ASP 1 HT2 ASP 1 3.582 14.874 -5.376
3 H3 ASP 1 HT3 ASP 1 2.884 15.685 -4.066
4 HA ASP 1 HA ASP 1 2.658 12.812 -4.738
5 HB2 ASP 1 HB2 ASP 1 3.741 14.290 -2.326
6 HB3 ASP 1 HB1 ASP 1 3.693 12.540 -2.514
7 H VAL 2 HN VAL 2 1.741 11.730 -2.572
8 HA VAL 2 HA VAL 2 -0.712 13.178 -1.818
9 HB VAL 2 HB VAL 2 -0.571 10.205 -2.333
10 HG11 VAL 2 HG11 VAL 2 -3.060 10.420 -2.285
11 HG12 VAL 2 HG12 VAL 2 -2.851 12.080 -1.728
12 HG13 VAL 2 HG13 VAL 2 -2.271 10.739 -0.741
13 HG21 VAL 2 HG21 VAL 2 -1.830 10.633 -4.377
14 HG22 VAL 2 HG22 VAL 2 -0.270 11.453 -4.419
15 HG23 VAL 2 HG23 VAL 2 -1.739 12.369 -4.082
16 H GLN 3 HN GLN 3 -0.715 13.540 0.289
17 HA GLN 3 HA GLN 3 0.980 12.784 2.214
18 HB2 GLN 3 HB2 GLN 3 -1.940 12.836 2.899
19 HB3 GLN 3 HB1 GLN 3 -0.577 13.451 3.824
20 HG2 GLN 3 HG2 GLN 3 -0.274 15.186 2.040
21 HG3 GLN 3 HG1 GLN 3 -1.802 14.638 1.351
22 HE21 GLN 3 HE21 GLN 3 -3.509 15.745 1.953
23 HE22 GLN 3 HE22 GLN 3 -3.692 16.623 3.430
24 H CYS 4 HN CYS 4 1.775 10.820 2.542
25 HA CYS 4 HA CYS 4 -0.011 8.502 2.643
26 HB2 CYS 4 HB2 CYS 4 2.976 8.755 2.584
27 HB3 CYS 4 HB1 CYS 4 2.145 7.220 2.747
28 H GLY 5 HN GLY 5 -0.685 9.790 4.673
29 HA2 GLY 5 HA2 GLY 5 -0.811 9.972 6.975
30 HA3 GLY 5 HA1 GLY 5 -0.379 8.272 6.913
31 H GLY 6 HN GLY 6 1.855 7.702 7.044
32 HA2 GLY 6 HA2 GLY 6 3.255 9.160 9.034
33 HA3 GLY 6 HA1 GLY 6 3.877 7.782 8.137
34 H GLY 7 HN GLY 7 5.935 8.842 8.051
35 HA2 GLY 7 HA2 GLY 7 6.137 11.363 6.648
36 HA3 GLY 7 HA1 GLY 7 7.469 10.403 7.271
37 H PHE 8 HN PHE 8 5.032 9.007 5.163
38 HA PHE 8 HA PHE 8 7.130 8.673 3.135
39 HB2 PHE 8 HB2 PHE 8 4.686 7.102 3.850
40 HB3 PHE 8 HB1 PHE 8 5.359 6.976 2.229
41 HD1 PHE 8 HD1 PHE 8 6.580 6.926 5.761
42 HD2 PHE 8 HD2 PHE 8 6.826 5.262 1.851
43 HE1 PHE 8 HE1 PHE 8 8.236 5.292 6.564
44 HE2 PHE 8 HE2 PHE 8 8.479 3.623 2.648
45 HZ PHE 8 HZ PHE 8 9.186 3.637 5.007
46 H SER 9 HN SER 9 5.851 8.201 0.893
47 HA SER 9 HA SER 9 3.717 9.953 0.257
48 HB2 SER 9 HB2 SER 9 4.993 11.551 -1.164
49 HB3 SER 9 HB1 SER 9 5.376 11.709 0.550
50 HG SER 9 HG SER 9 7.291 11.693 -0.581
51 H CYS 10 HN CYS 10 3.230 9.959 -2.060
52 HA CYS 10 HA CYS 10 4.670 7.996 -3.662
53 HB2 CYS 10 HB2 CYS 10 1.923 7.646 -2.607
54 HB3 CYS 10 HB1 CYS 10 2.168 7.233 -4.301
55 H HIS 11 HN HIS 11 3.089 7.842 -5.848
56 HA HIS 11 HA HIS 11 3.401 10.485 -6.955
57 HB2 HIS 11 HB2 HIS 11 3.814 8.069 -8.013
58 HB3 HIS 11 HB1 HIS 11 2.152 8.305 -8.545
59 HD1 HIS 11 HD1 HIS 11 1.762 10.621 -9.936
60 HD2 HIS 11 HD2 HIS 11 5.669 9.244 -9.610
61 HE1 HIS 11 HE1 HIS 11 3.045 11.800 -11.750
62 HE2 HIS 11 HE2 HIS 11 5.396 10.912 -11.567
63 H ASP 12 HN ASP 12 1.692 11.329 -8.462
64 HA ASP 12 HA ASP 12 -0.600 12.011 -7.035
65 HB2 ASP 12 HB2 ASP 12 0.341 12.363 -9.822
66 HB3 ASP 12 HB1 ASP 12 -1.390 12.544 -9.556
67 H GLY 13 HN GLY 13 -2.567 11.147 -6.802
68 HA2 GLY 13 HA2 GLY 13 -4.453 9.886 -7.370
69 HA3 GLY 13 HA1 GLY 13 -3.550 9.170 -8.695
70 H GLU 14 HN GLU 14 -1.412 8.821 -6.362
71 HA GLU 14 HA GLU 14 -2.290 6.106 -5.784
72 HB2 GLU 14 HB2 GLU 14 0.296 7.327 -4.872
73 HB3 GLU 14 HB1 GLU 14 -0.067 5.635 -5.182
74 HG2 GLU 14 HG2 GLU 14 -0.032 7.719 -7.344
75 HG3 GLU 14 HG1 GLU 14 1.397 6.803 -6.866
76 H THR 15 HN THR 15 -1.778 5.255 -3.549
77 HA THR 15 HA THR 15 -2.140 7.168 -1.380
78 HB THR 15 HB THR 15 -4.086 4.883 -1.804
79 HG1 THR 15 HG1 THR 15 -4.449 6.688 -3.221
80 HG21 THR 15 HG21 THR 15 -5.217 5.672 0.142
81 HG22 THR 15 HG22 THR 15 -4.202 7.111 0.230
82 HG23 THR 15 HG23 THR 15 -3.512 5.525 0.569
83 H CYS 16 HN CYS 16 -0.830 6.514 0.299
84 HA CYS 16 HA CYS 16 0.330 3.881 0.110
85 HB2 CYS 16 HB2 CYS 16 0.860 6.066 2.129
86 HB3 CYS 16 HB1 CYS 16 1.781 4.577 1.953
87 H CYS 17 HN CYS 17 0.582 2.548 2.091
88 HA CYS 17 HA CYS 17 -1.751 2.643 3.866
89 HB2 CYS 17 HB2 CYS 17 -2.664 0.893 2.802
90 HB3 CYS 17 HB1 CYS 17 -1.225 0.657 1.813
91 HA PRO 18 HA PRO 18 1.432 1.632 6.784
92 HB2 PRO 18 HB2 PRO 18 -0.033 1.693 8.996
93 HB3 PRO 18 HB1 PRO 18 0.151 3.158 8.022
94 HG2 PRO 18 HG2 PRO 18 -2.146 1.232 8.122
95 HG3 PRO 18 HG1 PRO 18 -2.176 3.005 8.102
96 HD2 PRO 18 HD2 PRO 18 -2.522 1.393 5.862
97 HD3 PRO 18 HD1 PRO 18 -2.010 3.090 5.825
98 H THR 19 HN THR 19 0.891 -0.630 5.385
99 HA THR 19 HA THR 19 -0.342 -2.699 6.889
100 HB THR 19 HB THR 19 -0.110 -2.855 4.457
101 HG1 THR 19 HG1 THR 19 1.384 -5.025 4.926
102 HG21 THR 19 HG21 THR 19 2.698 -3.684 4.493
103 HG22 THR 19 HG22 THR 19 2.454 -1.972 4.839
104 HG23 THR 19 HG23 THR 19 1.833 -2.667 3.342
105 H SER 20 HN SER 20 2.389 -1.055 7.594
106 HA SER 20 HA SER 20 3.523 -3.355 9.033
107 HB2 SER 20 HB2 SER 20 5.030 -1.222 7.507
108 HB3 SER 20 HB1 SER 20 5.793 -2.290 8.684
109 HG SER 20 HG SER 20 6.046 -3.307 6.771
110 H GLN 21 HN GLN 21 5.557 -1.868 10.320
111 HA GLN 21 HA GLN 21 3.909 -0.354 12.208
112 HB2 GLN 21 HB2 GLN 21 6.751 -1.295 12.593
113 HB3 GLN 21 HB1 GLN 21 5.633 -0.734 13.829
114 HG2 GLN 21 HG2 GLN 21 4.210 -2.779 12.871
115 HG3 GLN 21 HG1 GLN 21 5.830 -3.360 12.493
116 HE21 GLN 21 HE21 GLN 21 5.763 -5.016 13.975
117 HE22 GLN 21 HE22 GLN 21 5.815 -4.749 15.681
118 H THR 22 HN THR 22 6.836 -0.094 10.252
119 HA THR 22 HA THR 22 6.692 2.826 10.564
120 HB THR 22 HB THR 22 9.202 2.889 10.504
121 HG1 THR 22 HG1 THR 22 8.851 0.093 10.940
122 HG21 THR 22 HG21 THR 22 9.103 1.555 12.956
123 HG22 THR 22 HG22 THR 22 7.468 2.166 12.700
124 HG23 THR 22 HG23 THR 22 8.838 3.276 12.672
125 H THR 23 HN THR 23 5.836 0.929 8.434
126 HA THR 23 HA THR 23 7.375 2.140 6.234
127 HB THR 23 HB THR 23 6.198 -0.441 5.540
128 HG1 THR 23 HG1 THR 23 8.277 -0.334 7.492
129 HG21 THR 23 HG21 THR 23 9.095 0.323 5.391
130 HG22 THR 23 HG22 THR 23 7.912 1.051 4.305
131 HG23 THR 23 HG23 THR 23 8.156 -0.695 4.299
132 H TRP 24 HN TRP 24 6.148 2.010 4.121
133 HA TRP 24 HA TRP 24 3.241 2.039 4.429
134 HB2 TRP 24 HB2 TRP 24 4.939 4.416 3.733
135 HB3 TRP 24 HB1 TRP 24 3.332 4.264 3.029
136 HD1 TRP 24 HD1 TRP 24 5.092 4.884 6.358
137 HE1 TRP 24 HE1 TRP 24 3.369 5.762 8.060
138 HE3 TRP 24 HE3 TRP 24 0.863 4.254 3.602
139 HZ2 TRP 24 HZ2 TRP 24 0.570 6.130 8.203
140 HZ3 TRP 24 HZ3 TRP 24 -1.301 4.887 4.580
141 HH2 TRP 24 HH2 TRP 24 -1.439 5.805 6.828
142 H GLY 25 HN GLY 25 2.364 0.967 2.757
143 HA2 GLY 25 HA2 GLY 25 3.998 0.451 0.386
144 HA3 GLY 25 HA1 GLY 25 2.515 -0.386 0.826
145 H CYS 26 HN CYS 26 3.354 0.934 -1.724
146 HA CYS 26 HA CYS 26 1.536 3.192 -1.908
147 HB2 CYS 26 HB2 CYS 26 3.893 2.840 -3.070
148 HB3 CYS 26 HB1 CYS 26 2.903 2.081 -4.312
149 H CYS 27 HN CYS 27 -0.475 3.078 -2.532
150 HA CYS 27 HA CYS 27 -1.453 0.641 -3.857
151 HB2 CYS 27 HB2 CYS 27 -2.742 2.627 -2.006
152 HB3 CYS 27 HB1 CYS 27 -3.736 1.639 -3.064
153 HA PRO 28 HA PRO 28 -2.111 3.262 -7.411
154 HB2 PRO 28 HB2 PRO 28 -3.178 1.436 -9.055
155 HB3 PRO 28 HB1 PRO 28 -1.473 1.376 -8.589
156 HG2 PRO 28 HG2 PRO 28 -3.783 -0.206 -7.532
157 HG3 PRO 28 HG1 PRO 28 -2.143 -0.750 -7.929
158 HD2 PRO 28 HD2 PRO 28 -2.998 -0.175 -5.383
159 HD3 PRO 28 HD1 PRO 28 -1.305 -0.083 -5.907
160 H SER 29 HN SER 29 -4.098 3.371 -5.282
161 HA SER 29 HA SER 29 -6.344 4.244 -6.868
162 HB2 SER 29 HB2 SER 29 -7.303 2.526 -4.691
163 HB3 SER 29 HB1 SER 29 -7.866 2.655 -6.358
164 HG SER 29 HG SER 29 -5.477 1.321 -5.621
165 HA PRO 30 HA PRO 30 -6.624 7.274 -3.681
166 HB2 PRO 30 HB2 PRO 30 -9.318 7.739 -3.586
167 HB3 PRO 30 HB1 PRO 30 -8.259 8.362 -4.855
168 HG2 PRO 30 HG2 PRO 30 -10.038 5.955 -4.885
169 HG3 PRO 30 HG1 PRO 30 -9.781 7.174 -6.149
170 HD2 PRO 30 HD2 PRO 30 -8.593 4.762 -6.241
171 HD3 PRO 30 HD1 PRO 30 -7.780 6.228 -6.828
172 H LYS 31 HN LYS 31 -9.811 6.023 -2.982
173 HA LYS 31 HA LYS 31 -9.033 5.550 -0.241
174 HB2 LYS 31 HB2 LYS 31 -11.463 6.149 -1.637
175 HB3 LYS 31 HB1 LYS 31 -11.699 4.695 -0.675
176 HG2 LYS 31 HG2 LYS 31 -10.738 5.985 1.274
177 HG3 LYS 31 HG1 LYS 31 -10.882 7.427 0.266
178 HD2 LYS 31 HD2 LYS 31 -13.257 5.655 0.567
179 HD3 LYS 31 HD1 LYS 31 -12.811 6.703 1.916
180 HE2 LYS 31 HE2 LYS 31 -13.361 7.581 -0.918
181 HE3 LYS 31 HE1 LYS 31 -14.440 7.789 0.460
182 HZ1 LYS 31 HZ1 LYS 31 -12.519 9.072 1.492
183 HZ2 LYS 31 HZ2 LYS 31 -13.362 9.826 0.235
184 HZ3 LYS 31 HZ3 LYS 31 -11.854 9.121 -0.063
185 H ALA 32 HN ALA 32 -7.636 3.806 -1.715
186 HA ALA 32 HA ALA 32 -8.820 1.316 -2.252
187 HB1 ALA 32 HB1 ALA 32 -5.962 1.815 -1.436
188 HB2 ALA 32 HB2 ALA 32 -6.593 2.064 -3.064
189 HB3 ALA 32 HB3 ALA 32 -6.586 0.448 -2.358
190 H VAL 33 HN VAL 33 -8.217 -0.720 -1.079
191 HA VAL 33 HA VAL 33 -8.414 -0.359 1.839
192 HB VAL 33 HB VAL 33 -9.387 -2.911 0.745
193 HG11 VAL 33 HG11 VAL 33 -10.183 -2.905 2.820
194 HG12 VAL 33 HG12 VAL 33 -11.333 -1.666 2.317
195 HG13 VAL 33 HG13 VAL 33 -9.786 -1.199 3.023
196 HG21 VAL 33 HG21 VAL 33 -10.409 -1.802 -0.995
197 HG22 VAL 33 HG22 VAL 33 -10.613 -0.315 -0.070
198 HG23 VAL 33 HG23 VAL 33 -11.653 -1.704 0.252
199 H CYS 34 HN CYS 34 -6.351 -0.735 2.503
200 HA CYS 34 HA CYS 34 -4.576 -2.505 1.235
201 HB2 CYS 34 HB2 CYS 34 -4.066 -0.551 2.871
202 HB3 CYS 34 HB1 CYS 34 -4.277 -1.772 4.124
203 H CYS 35 HN CYS 35 -4.843 -4.641 1.093
204 HA CYS 35 HA CYS 35 -6.403 -6.220 2.801
205 HB2 CYS 35 HB2 CYS 35 -4.879 -6.643 0.480
206 HB3 CYS 35 HB1 CYS 35 -4.201 -7.733 1.684
207 H ASP 36 HN ASP 36 -6.105 -6.572 4.859
208 HA ASP 36 HA ASP 36 -3.439 -6.347 6.019
209 HB2 ASP 36 HB2 ASP 36 -5.776 -5.293 6.834
210 HB3 ASP 36 HB1 ASP 36 -5.778 -6.782 7.775
211 H ASP 37 HN ASP 37 -5.572 -8.882 5.087
212 HA ASP 37 HA ASP 37 -5.205 -10.751 7.096
213 HB2 ASP 37 HB2 ASP 37 -6.025 -10.764 4.321
214 HB3 ASP 37 HB1 ASP 37 -5.041 -12.180 4.680
215 H MET 38 HN MET 38 -3.131 -9.902 4.385
216 HA MET 38 HA MET 38 -0.889 -11.218 5.744
217 HB2 MET 38 HB2 MET 38 -1.254 -11.270 2.746
218 HB3 MET 38 HB1 MET 38 -0.042 -12.122 3.694
219 HG2 MET 38 HG2 MET 38 -2.677 -12.849 4.567
220 HG3 MET 38 HG1 MET 38 -2.520 -13.075 2.826
221 HE1 MET 38 HE1 MET 38 -2.979 -14.712 5.450
222 HE2 MET 38 HE2 MET 38 -1.515 -15.284 6.249
223 HE3 MET 38 HE3 MET 38 -2.311 -16.292 5.041
224 H GLN 39 HN GLN 39 -0.698 -9.752 2.571
225 HA GLN 39 HA GLN 39 0.035 -7.161 3.564
226 HB2 GLN 39 HB2 GLN 39 2.078 -9.135 3.137
227 HB3 GLN 39 HB1 GLN 39 2.253 -7.857 1.943
228 HG2 GLN 39 HG2 GLN 39 3.042 -6.424 3.444
229 HG3 GLN 39 HG1 GLN 39 1.774 -6.813 4.605
230 HE21 GLN 39 HE21 GLN 39 3.872 -6.368 5.897
231 HE22 GLN 39 HE22 GLN 39 4.775 -7.775 6.334
232 H HIS 40 HN HIS 40 -1.806 -6.669 2.149
233 HA HIS 40 HA HIS 40 -0.887 -6.317 -0.600
234 HB2 HIS 40 HB2 HIS 40 -2.304 -8.571 -0.075
235 HB3 HIS 40 HB1 HIS 40 -3.596 -7.461 -0.520
236 HD1 HIS 40 HD1 HIS 40 -3.629 -6.595 -2.962
237 HD2 HIS 40 HD2 HIS 40 -0.608 -9.333 -2.159
238 HE1 HIS 40 HE1 HIS 40 -2.749 -7.303 -5.209
239 HE2 HIS 40 HE2 HIS 40 -0.968 -9.012 -4.700
240 H CYS 41 HN CYS 41 -2.992 -5.522 -1.926
241 HA CYS 41 HA CYS 41 -4.418 -3.489 -0.394
242 HB2 CYS 41 HB2 CYS 41 -2.326 -2.440 -1.233
243 HB3 CYS 41 HB1 CYS 41 -2.811 -2.850 -2.873
244 H CYS 42 HN CYS 42 -6.333 -2.737 -1.381
245 HA CYS 42 HA CYS 42 -7.164 -4.228 -3.781
246 HB2 CYS 42 HB2 CYS 42 -8.618 -3.825 -1.183
247 HB3 CYS 42 HB1 CYS 42 -9.513 -4.089 -2.674
248 HA PRO 43 HA PRO 43 -7.928 -0.220 -5.541
249 HB2 PRO 43 HB2 PRO 43 -10.089 -1.693 -6.977
250 HB3 PRO 43 HB1 PRO 43 -8.814 -0.652 -7.623
251 HG2 PRO 43 HG2 PRO 43 -8.608 -3.276 -7.872
252 HG3 PRO 43 HG1 PRO 43 -7.186 -2.308 -7.432
253 HD2 PRO 43 HD2 PRO 43 -8.928 -4.010 -5.688
254 HD3 PRO 43 HD1 PRO 43 -7.162 -3.823 -5.677
255 H ALA 44 HN ALA 44 -9.187 1.456 -5.028
256 HA ALA 44 HA ALA 44 -11.016 1.469 -3.005
257 HB1 ALA 44 HB1 ALA 44 -11.707 3.475 -4.983
258 HB2 ALA 44 HB2 ALA 44 -9.966 3.364 -4.723
259 HB3 ALA 44 HB3 ALA 44 -11.044 3.667 -3.360
260 H GLY 45 HN GLY 45 -12.753 0.196 -2.867
261 HA2 GLY 45 HA2 GLY 45 -15.148 0.178 -3.448
262 HA3 GLY 45 HA1 GLY 45 -14.649 0.221 -5.134
263 H TYR 46 HN TYR 46 -12.519 -1.701 -3.480
264 HA TYR 46 HA TYR 46 -14.021 -4.135 -4.184
265 HB2 TYR 46 HB2 TYR 46 -11.090 -3.481 -4.402
266 HB3 TYR 46 HB1 TYR 46 -11.656 -5.146 -4.368
267 HD1 TYR 46 HD1 TYR 46 -12.144 -6.189 -6.372
268 HD2 TYR 46 HD2 TYR 46 -12.285 -1.941 -6.184
269 HE1 TYR 46 HE1 TYR 46 -12.563 -6.103 -8.793
270 HE2 TYR 46 HE2 TYR 46 -12.705 -1.843 -8.605
271 HH TYR 46 HH TYR 46 -13.309 -3.079 -10.422
272 H LYS 47 HN LYS 47 -13.226 -6.104 -2.957
273 HA LYS 47 HA LYS 47 -12.567 -5.398 -0.178
274 HB2 LYS 47 HB2 LYS 47 -14.139 -7.047 0.636
275 HB3 LYS 47 HB1 LYS 47 -14.978 -5.909 -0.411
276 HG2 LYS 47 HG2 LYS 47 -15.645 -7.533 -1.765
277 HG3 LYS 47 HG1 LYS 47 -14.005 -8.168 -1.915
278 HD2 LYS 47 HD2 LYS 47 -14.601 -9.915 -0.677
279 HD3 LYS 47 HD1 LYS 47 -14.905 -8.826 0.677
280 HE2 LYS 47 HE2 LYS 47 -17.160 -8.777 0.311
281 HE3 LYS 47 HE1 LYS 47 -16.994 -9.061 -1.422
282 HZ1 LYS 47 HZ1 LYS 47 -16.059 -11.298 0.044
283 HZ2 LYS 47 HZ2 LYS 47 -17.295 -11.220 -1.109
284 HZ3 LYS 47 HZ3 LYS 47 -17.637 -10.915 0.519
285 H CYS 48 HN CYS 48 -11.613 -7.134 1.068
286 HA CYS 48 HA CYS 48 -9.721 -8.637 -0.525
287 HB2 CYS 48 HB2 CYS 48 -10.034 -8.056 2.401
288 HB3 CYS 48 HB1 CYS 48 -8.963 -9.349 1.873
289 H GLY 49 HN GLY 49 -9.511 -10.859 -0.598
290 HA2 GLY 49 HA2 GLY 49 -11.460 -12.506 0.821
291 HA3 GLY 49 HA1 GLY 49 -11.541 -12.523 -0.934
292 HA PRO 50 HA PRO 50 -8.479 -15.747 0.700
293 HB2 PRO 50 HB2 PRO 50 -9.688 -17.897 -0.471
294 HB3 PRO 50 HB1 PRO 50 -10.039 -17.356 1.175
295 HG2 PRO 50 HG2 PRO 50 -11.552 -16.835 -1.357
296 HG3 PRO 50 HG1 PRO 50 -12.171 -17.253 0.252
297 HD2 PRO 50 HD2 PRO 50 -12.198 -14.724 -0.677
298 HD3 PRO 50 HD1 PRO 50 -11.939 -15.092 1.041
299 H GLY 51 HN GLY 51 -6.797 -16.517 -0.508
300 HA2 GLY 51 HA2 GLY 51 -5.760 -17.300 -2.487
301 HA3 GLY 51 HA1 GLY 51 -7.076 -16.610 -3.424
302 H GLY 52 HN GLY 52 -5.873 -14.538 -1.011
303 HA2 GLY 52 HA2 GLY 52 -4.726 -12.555 -1.124
304 HA3 GLY 52 HA1 GLY 52 -3.607 -13.423 -2.162
305 H THR 53 HN THR 53 -7.007 -12.694 -2.813
306 HA THR 53 HA THR 53 -6.152 -10.815 -4.907
307 HB THR 53 HB THR 53 -8.086 -11.787 -6.302
308 HG1 THR 53 HG1 THR 53 -7.931 -14.266 -5.597
309 HG21 THR 53 HG21 THR 53 -6.632 -13.475 -7.298
310 HG22 THR 53 HG22 THR 53 -5.611 -13.463 -5.860
311 HG23 THR 53 HG23 THR 53 -5.709 -12.030 -6.884
312 H CYS 54 HN CYS 54 -7.841 -9.365 -5.647
313 HA CYS 54 HA CYS 54 -9.723 -8.728 -3.486
314 HB2 CYS 54 HB2 CYS 54 -8.743 -7.006 -5.774
315 HB3 CYS 54 HB1 CYS 54 -9.817 -6.479 -4.484
316 H ILE 55 HN ILE 55 -11.896 -8.596 -3.822
317 HA ILE 55 HA ILE 55 -12.865 -9.199 -6.543
318 HB ILE 55 HB ILE 55 -14.849 -10.230 -5.023
319 HG12 ILE 55 HG12 ILE 55 -12.323 -11.067 -3.596
320 HG13 ILE 55 HG11 ILE 55 -13.393 -9.813 -2.980
321 HG21 ILE 55 HG21 ILE 55 -12.871 -11.162 -6.782
322 HG22 ILE 55 HG22 ILE 55 -14.370 -11.967 -6.317
323 HG23 ILE 55 HG23 ILE 55 -12.885 -12.280 -5.418
324 HD11 ILE 55 HD11 ILE 55 -13.555 -12.488 -2.425
325 HD12 ILE 55 HD12 ILE 55 -14.797 -12.265 -3.657
326 HD13 ILE 55 HD13 ILE 55 -14.837 -11.301 -2.181
327 H SER 56 HN SER 56 -15.339 -8.786 -6.655
328 HA SER 56 HA SER 56 -17.021 -7.266 -6.707
329 HB2 SER 56 HB2 SER 56 -16.032 -7.024 -3.894
330 HB3 SER 56 HB1 SER 56 -17.218 -5.859 -4.482
331 HG SER 56 HG SER 56 -18.545 -7.662 -5.049
Start of MODEL 11
1 H1 ASP 1 HT1 ASP 1 5.655 15.713 -2.329
2 H2 ASP 1 HT2 ASP 1 4.393 16.637 -2.973
3 H3 ASP 1 HT3 ASP 1 5.490 15.870 -4.007
4 HA ASP 1 HA ASP 1 3.632 14.516 -4.108
5 HB2 ASP 1 HB2 ASP 1 5.627 13.513 -2.076
6 HB3 ASP 1 HB1 ASP 1 4.338 12.494 -2.708
7 H VAL 2 HN VAL 2 2.560 12.730 -2.353
8 HA VAL 2 HA VAL 2 0.885 14.469 -0.711
9 HB VAL 2 HB VAL 2 0.506 11.534 -1.318
10 HG11 VAL 2 HG11 VAL 2 -0.770 13.264 0.505
11 HG12 VAL 2 HG12 VAL 2 -1.227 11.618 0.066
12 HG13 VAL 2 HG13 VAL 2 -1.902 12.987 -0.817
13 HG21 VAL 2 HG21 VAL 2 -1.399 12.831 -2.759
14 HG22 VAL 2 HG22 VAL 2 0.134 12.253 -3.415
15 HG23 VAL 2 HG23 VAL 2 -0.034 13.936 -2.915
16 H GLN 3 HN GLN 3 0.853 14.441 1.460
17 HA GLN 3 HA GLN 3 2.959 13.205 2.895
18 HB2 GLN 3 HB2 GLN 3 1.005 15.190 3.385
19 HB3 GLN 3 HB1 GLN 3 0.805 13.968 4.635
20 HG2 GLN 3 HG2 GLN 3 2.404 15.078 5.713
21 HG3 GLN 3 HG1 GLN 3 3.512 14.286 4.593
22 HE21 GLN 3 HE21 GLN 3 1.224 16.967 4.209
23 HE22 GLN 3 HE22 GLN 3 2.388 18.107 3.635
24 H CYS 4 HN CYS 4 2.979 11.017 2.865
25 HA CYS 4 HA CYS 4 0.737 9.340 2.990
26 HB2 CYS 4 HB2 CYS 4 3.669 8.975 3.395
27 HB3 CYS 4 HB1 CYS 4 2.591 7.681 3.901
28 H GLY 5 HN GLY 5 2.856 10.580 5.533
29 HA2 GLY 5 HA2 GLY 5 2.159 11.003 7.752
30 HA3 GLY 5 HA1 GLY 5 0.781 9.938 7.495
31 H GLY 6 HN GLY 6 4.325 9.777 7.490
32 HA2 GLY 6 HA2 GLY 6 4.751 8.121 9.610
33 HA3 GLY 6 HA1 GLY 6 4.327 7.015 8.309
34 H GLY 7 HN GLY 7 5.709 9.567 6.815
35 HA2 GLY 7 HA2 GLY 7 8.104 10.123 6.752
36 HA3 GLY 7 HA1 GLY 7 8.420 8.424 7.063
37 H PHE 8 HN PHE 8 5.906 8.247 5.020
38 HA PHE 8 HA PHE 8 7.705 8.148 2.693
39 HB2 PHE 8 HB2 PHE 8 5.411 6.481 3.582
40 HB3 PHE 8 HB1 PHE 8 5.640 6.689 1.850
41 HD1 PHE 8 HD1 PHE 8 7.277 5.471 0.700
42 HD2 PHE 8 HD2 PHE 8 7.320 5.567 4.954
43 HE1 PHE 8 HE1 PHE 8 8.995 3.709 0.719
44 HE2 PHE 8 HE2 PHE 8 9.038 3.807 4.982
45 HZ PHE 8 HZ PHE 8 9.877 2.876 2.862
46 H SER 9 HN SER 9 6.198 8.142 0.586
47 HA SER 9 HA SER 9 4.091 10.095 0.614
48 HB2 SER 9 HB2 SER 9 5.680 11.331 -1.255
49 HB3 SER 9 HB1 SER 9 5.458 11.886 0.404
50 HG SER 9 HG SER 9 7.648 11.709 -0.004
51 H CYS 10 HN CYS 10 3.026 10.266 -1.452
52 HA CYS 10 HA CYS 10 3.925 8.340 -3.475
53 HB2 CYS 10 HB2 CYS 10 1.372 8.288 -1.946
54 HB3 CYS 10 HB1 CYS 10 1.306 7.862 -3.654
55 H HIS 11 HN HIS 11 2.116 8.451 -5.316
56 HA HIS 11 HA HIS 11 2.391 11.113 -6.381
57 HB2 HIS 11 HB2 HIS 11 1.687 8.462 -7.441
58 HB3 HIS 11 HB1 HIS 11 0.858 9.802 -8.226
59 HD1 HIS 11 HD1 HIS 11 2.887 11.897 -8.582
60 HD2 HIS 11 HD2 HIS 11 3.861 7.872 -8.921
61 HE1 HIS 11 HE1 HIS 11 4.993 11.828 -9.954
62 HE2 HIS 11 HE2 HIS 11 5.603 9.387 -10.085
63 H ASP 12 HN ASP 12 0.756 12.463 -7.114
64 HA ASP 12 HA ASP 12 -1.398 12.753 -5.338
65 HB2 ASP 12 HB2 ASP 12 -2.005 14.700 -6.617
66 HB3 ASP 12 HB1 ASP 12 -0.249 14.627 -6.501
67 H GLY 13 HN GLY 13 -1.481 10.224 -6.926
68 HA2 GLY 13 HA2 GLY 13 -4.299 10.402 -7.584
69 HA3 GLY 13 HA1 GLY 13 -3.207 9.840 -8.851
70 H GLU 14 HN GLU 14 -2.387 9.249 -5.596
71 HA GLU 14 HA GLU 14 -3.378 6.475 -5.719
72 HB2 GLU 14 HB2 GLU 14 -0.784 6.663 -4.409
73 HB3 GLU 14 HB1 GLU 14 -1.344 5.531 -5.628
74 HG2 GLU 14 HG2 GLU 14 -0.721 8.279 -6.523
75 HG3 GLU 14 HG1 GLU 14 0.631 7.249 -6.055
76 H THR 15 HN THR 15 -2.446 5.472 -3.401
77 HA THR 15 HA THR 15 -3.169 7.341 -1.266
78 HB THR 15 HB THR 15 -4.439 4.609 -1.573
79 HG1 THR 15 HG1 THR 15 -6.293 6.420 -1.492
80 HG21 THR 15 HG21 THR 15 -5.071 6.751 0.454
81 HG22 THR 15 HG22 THR 15 -3.963 5.418 0.774
82 HG23 THR 15 HG23 THR 15 -5.658 5.088 0.415
83 H CYS 16 HN CYS 16 -2.185 6.919 0.692
84 HA CYS 16 HA CYS 16 0.045 5.065 0.593
85 HB2 CYS 16 HB2 CYS 16 -0.750 7.017 2.759
86 HB3 CYS 16 HB1 CYS 16 0.785 6.156 2.645
87 H CYS 17 HN CYS 17 0.133 3.141 1.579
88 HA CYS 17 HA CYS 17 -2.034 2.449 3.447
89 HB2 CYS 17 HB2 CYS 17 -1.248 1.232 0.999
90 HB3 CYS 17 HB1 CYS 17 -0.864 0.115 2.303
91 HA PRO 18 HA PRO 18 1.392 1.582 6.187
92 HB2 PRO 18 HB2 PRO 18 -0.017 1.278 8.427
93 HB3 PRO 18 HB1 PRO 18 0.101 2.858 7.646
94 HG2 PRO 18 HG2 PRO 18 -2.153 0.901 7.627
95 HG3 PRO 18 HG1 PRO 18 -2.203 2.671 7.691
96 HD2 PRO 18 HD2 PRO 18 -2.548 1.103 5.397
97 HD3 PRO 18 HD1 PRO 18 -2.207 2.837 5.425
98 H THR 19 HN THR 19 2.305 -0.390 5.741
99 HA THR 19 HA THR 19 0.748 -2.820 6.102
100 HB THR 19 HB THR 19 2.748 -3.970 5.189
101 HG1 THR 19 HG1 THR 19 4.575 -2.917 5.163
102 HG21 THR 19 HG21 THR 19 2.085 -1.665 3.385
103 HG22 THR 19 HG22 THR 19 0.876 -2.884 3.786
104 HG23 THR 19 HG23 THR 19 2.366 -3.355 2.968
105 H SER 20 HN SER 20 2.676 -0.888 8.049
106 HA SER 20 HA SER 20 2.888 -3.001 10.014
107 HB2 SER 20 HB2 SER 20 5.438 -1.645 9.975
108 HB3 SER 20 HB1 SER 20 5.095 -3.373 9.898
109 HG SER 20 HG SER 20 6.161 -2.719 8.024
110 H GLN 21 HN GLN 21 4.908 -0.159 10.064
111 HA GLN 21 HA GLN 21 3.095 1.575 11.386
112 HB2 GLN 21 HB2 GLN 21 3.936 1.511 13.625
113 HB3 GLN 21 HB1 GLN 21 3.504 -0.134 13.180
114 HG2 GLN 21 HG2 GLN 21 5.984 -0.391 12.555
115 HG3 GLN 21 HG1 GLN 21 6.220 1.075 13.508
116 HE21 GLN 21 HE21 GLN 21 7.260 -1.550 14.028
117 HE22 GLN 21 HE22 GLN 21 6.641 -2.045 15.563
118 H THR 22 HN THR 22 6.131 0.694 10.156
119 HA THR 22 HA THR 22 7.029 3.498 10.258
120 HB THR 22 HB THR 22 9.341 2.782 10.415
121 HG1 THR 22 HG1 THR 22 9.765 0.824 9.746
122 HG21 THR 22 HG21 THR 22 8.678 1.144 12.620
123 HG22 THR 22 HG22 THR 22 7.391 2.340 12.460
124 HG23 THR 22 HG23 THR 22 9.066 2.865 12.624
125 H THR 23 HN THR 23 6.013 0.986 8.392
126 HA THR 23 HA THR 23 7.536 1.893 6.037
127 HB THR 23 HB THR 23 6.030 -0.644 5.840
128 HG1 THR 23 HG1 THR 23 7.036 -0.701 7.972
129 HG21 THR 23 HG21 THR 23 7.316 -0.100 3.962
130 HG22 THR 23 HG22 THR 23 8.299 -1.290 4.815
131 HG23 THR 23 HG23 THR 23 8.688 0.426 4.939
132 H TRP 24 HN TRP 24 6.397 2.224 4.084
133 HA TRP 24 HA TRP 24 3.476 2.208 4.231
134 HB2 TRP 24 HB2 TRP 24 5.207 4.624 3.832
135 HB3 TRP 24 HB1 TRP 24 3.615 4.549 3.083
136 HD1 TRP 24 HD1 TRP 24 5.315 4.964 6.456
137 HE1 TRP 24 HE1 TRP 24 3.544 5.619 8.209
138 HE3 TRP 24 HE3 TRP 24 1.127 4.277 3.646
139 HZ2 TRP 24 HZ2 TRP 24 0.726 5.812 8.367
140 HZ3 TRP 24 HZ3 TRP 24 -1.076 4.704 4.661
141 HH2 TRP 24 HH2 TRP 24 -1.265 5.463 6.972
142 H GLY 25 HN GLY 25 2.612 1.404 2.436
143 HA2 GLY 25 HA2 GLY 25 4.311 1.222 0.036
144 HA3 GLY 25 HA1 GLY 25 2.978 0.142 0.418
145 H CYS 26 HN CYS 26 3.423 1.628 -2.039
146 HA CYS 26 HA CYS 26 1.402 3.721 -1.997
147 HB2 CYS 26 HB2 CYS 26 3.716 3.484 -3.399
148 HB3 CYS 26 HB1 CYS 26 2.555 2.899 -4.586
149 H CYS 27 HN CYS 27 -0.647 3.422 -2.509
150 HA CYS 27 HA CYS 27 -1.427 0.918 -3.844
151 HB2 CYS 27 HB2 CYS 27 -2.861 2.691 -1.873
152 HB3 CYS 27 HB1 CYS 27 -3.723 1.501 -2.841
153 HA PRO 28 HA PRO 28 -2.573 3.634 -7.218
154 HB2 PRO 28 HB2 PRO 28 -3.391 1.280 -8.682
155 HB3 PRO 28 HB1 PRO 28 -1.971 2.295 -8.934
156 HG2 PRO 28 HG2 PRO 28 -1.851 -0.285 -8.033
157 HG3 PRO 28 HG1 PRO 28 -0.625 0.943 -7.675
158 HD2 PRO 28 HD2 PRO 28 -2.877 -0.043 -5.965
159 HD3 PRO 28 HD1 PRO 28 -1.203 0.349 -5.511
160 H SER 29 HN SER 29 -4.471 3.561 -5.224
161 HA SER 29 HA SER 29 -6.876 3.864 -6.715
162 HB2 SER 29 HB2 SER 29 -6.409 1.270 -5.689
163 HB3 SER 29 HB1 SER 29 -7.639 2.003 -4.658
164 HG SER 29 HG SER 29 -8.636 1.021 -6.412
165 HA PRO 30 HA PRO 30 -7.439 6.778 -3.434
166 HB2 PRO 30 HB2 PRO 30 -10.160 7.120 -3.643
167 HB3 PRO 30 HB1 PRO 30 -8.975 7.902 -4.694
168 HG2 PRO 30 HG2 PRO 30 -10.620 5.455 -5.185
169 HG3 PRO 30 HG1 PRO 30 -10.224 6.781 -6.294
170 HD2 PRO 30 HD2 PRO 30 -8.951 4.414 -6.403
171 HD3 PRO 30 HD1 PRO 30 -8.115 5.943 -6.744
172 H LYS 31 HN LYS 31 -10.602 5.271 -3.265
173 HA LYS 31 HA LYS 31 -10.185 4.701 -0.458
174 HB2 LYS 31 HB2 LYS 31 -12.640 3.883 -0.696
175 HB3 LYS 31 HB1 LYS 31 -12.299 5.604 -0.803
176 HG2 LYS 31 HG2 LYS 31 -12.097 4.885 -3.404
177 HG3 LYS 31 HG1 LYS 31 -13.316 3.747 -2.831
178 HD2 LYS 31 HD2 LYS 31 -14.866 5.358 -2.544
179 HD3 LYS 31 HD1 LYS 31 -13.687 6.519 -1.930
180 HE2 LYS 31 HE2 LYS 31 -12.863 6.688 -4.342
181 HE3 LYS 31 HE1 LYS 31 -14.352 5.853 -4.784
182 HZ1 LYS 31 HZ1 LYS 31 -15.002 7.957 -3.056
183 HZ2 LYS 31 HZ2 LYS 31 -15.414 7.777 -4.686
184 HZ3 LYS 31 HZ3 LYS 31 -13.986 8.577 -4.258
185 H ALA 32 HN ALA 32 -8.453 3.136 -1.568
186 HA ALA 32 HA ALA 32 -9.471 0.581 -2.389
187 HB1 ALA 32 HB1 ALA 32 -6.794 0.285 -1.620
188 HB2 ALA 32 HB2 ALA 32 -6.924 1.905 -2.303
189 HB3 ALA 32 HB3 ALA 32 -7.427 0.506 -3.250
190 H VAL 33 HN VAL 33 -8.765 -1.438 -1.248
191 HA VAL 33 HA VAL 33 -9.175 -1.144 1.650
192 HB VAL 33 HB VAL 33 -9.535 -3.745 0.205
193 HG11 VAL 33 HG11 VAL 33 -10.938 -4.302 2.011
194 HG12 VAL 33 HG12 VAL 33 -11.089 -2.620 2.518
195 HG13 VAL 33 HG13 VAL 33 -9.560 -3.472 2.732
196 HG21 VAL 33 HG21 VAL 33 -11.165 -2.913 -1.065
197 HG22 VAL 33 HG22 VAL 33 -11.091 -1.349 -0.251
198 HG23 VAL 33 HG23 VAL 33 -12.080 -2.647 0.418
199 H CYS 34 HN CYS 34 -7.273 -1.205 2.664
200 HA CYS 34 HA CYS 34 -4.944 -2.410 1.621
201 HB2 CYS 34 HB2 CYS 34 -5.459 -0.592 3.591
202 HB3 CYS 34 HB1 CYS 34 -5.023 -2.008 4.539
203 H CYS 35 HN CYS 35 -5.150 -4.590 1.195
204 HA CYS 35 HA CYS 35 -6.374 -6.512 2.787
205 HB2 CYS 35 HB2 CYS 35 -5.011 -6.567 0.417
206 HB3 CYS 35 HB1 CYS 35 -3.883 -7.402 1.479
207 H ASP 36 HN ASP 36 -6.039 -6.801 4.854
208 HA ASP 36 HA ASP 36 -3.392 -6.366 5.999
209 HB2 ASP 36 HB2 ASP 36 -5.401 -5.252 6.973
210 HB3 ASP 36 HB1 ASP 36 -5.999 -6.841 7.444
211 H ASP 37 HN ASP 37 -5.386 -9.057 5.108
212 HA ASP 37 HA ASP 37 -4.752 -10.914 7.066
213 HB2 ASP 37 HB2 ASP 37 -5.306 -11.128 4.123
214 HB3 ASP 37 HB1 ASP 37 -4.804 -12.557 5.023
215 H MET 38 HN MET 38 -2.939 -9.852 4.257
216 HA MET 38 HA MET 38 -0.522 -11.065 5.408
217 HB2 MET 38 HB2 MET 38 -1.204 -10.905 2.462
218 HB3 MET 38 HB1 MET 38 0.291 -11.535 3.138
219 HG2 MET 38 HG2 MET 38 -0.640 -13.500 3.733
220 HG3 MET 38 HG1 MET 38 -2.201 -12.773 4.110
221 HE1 MET 38 HE1 MET 38 -3.831 -12.261 0.713
222 HE2 MET 38 HE2 MET 38 -3.507 -11.567 2.301
223 HE3 MET 38 HE3 MET 38 -4.375 -13.096 2.168
224 H GLN 39 HN GLN 39 -0.407 -9.354 2.396
225 HA GLN 39 HA GLN 39 0.019 -6.768 3.574
226 HB2 GLN 39 HB2 GLN 39 2.219 -8.007 3.866
227 HB3 GLN 39 HB1 GLN 39 2.343 -8.026 2.113
228 HG2 GLN 39 HG2 GLN 39 2.943 -5.873 2.002
229 HG3 GLN 39 HG1 GLN 39 1.813 -5.387 3.265
230 HE21 GLN 39 HE21 GLN 39 2.635 -6.927 5.365
231 HE22 GLN 39 HE22 GLN 39 4.232 -6.469 5.838
232 H HIS 40 HN HIS 40 -1.795 -6.355 2.096
233 HA HIS 40 HA HIS 40 -0.783 -5.733 -0.567
234 HB2 HIS 40 HB2 HIS 40 -2.371 -8.079 -0.061
235 HB3 HIS 40 HB1 HIS 40 -3.219 -6.988 -1.154
236 HD1 HIS 40 HD1 HIS 40 -1.997 -6.427 -3.426
237 HD2 HIS 40 HD2 HIS 40 -0.220 -9.414 -1.150
238 HE1 HIS 40 HE1 HIS 40 -0.395 -7.590 -4.977
239 HE2 HIS 40 HE2 HIS 40 0.741 -9.327 -3.551
240 H CYS 41 HN CYS 41 -2.846 -5.110 -1.989
241 HA CYS 41 HA CYS 41 -4.619 -3.335 -0.474
242 HB2 CYS 41 HB2 CYS 41 -2.370 -2.357 -1.706
243 HB3 CYS 41 HB1 CYS 41 -3.574 -2.183 -2.977
244 H CYS 42 HN CYS 42 -6.608 -2.950 -1.498
245 HA CYS 42 HA CYS 42 -7.066 -4.485 -3.973
246 HB2 CYS 42 HB2 CYS 42 -8.490 -4.523 -1.397
247 HB3 CYS 42 HB1 CYS 42 -9.536 -4.402 -2.806
248 HA PRO 43 HA PRO 43 -8.148 -0.575 -5.796
249 HB2 PRO 43 HB2 PRO 43 -9.925 -2.348 -7.417
250 HB3 PRO 43 HB1 PRO 43 -8.800 -1.092 -7.949
251 HG2 PRO 43 HG2 PRO 43 -8.125 -3.637 -8.187
252 HG3 PRO 43 HG1 PRO 43 -6.933 -2.446 -7.628
253 HD2 PRO 43 HD2 PRO 43 -8.467 -4.473 -6.053
254 HD3 PRO 43 HD1 PRO 43 -6.782 -3.939 -5.868
255 H ALA 44 HN ALA 44 -9.630 0.896 -5.324
256 HA ALA 44 HA ALA 44 -11.629 0.610 -3.498
257 HB1 ALA 44 HB1 ALA 44 -12.648 2.684 -4.608
258 HB2 ALA 44 HB2 ALA 44 -11.298 2.579 -5.737
259 HB3 ALA 44 HB3 ALA 44 -10.992 2.797 -4.014
260 H GLY 45 HN GLY 45 -13.222 -0.844 -3.551
261 HA2 GLY 45 HA2 GLY 45 -15.548 -1.004 -4.453
262 HA3 GLY 45 HA1 GLY 45 -14.799 -1.056 -6.041
263 H TYR 46 HN TYR 46 -12.703 -2.751 -4.236
264 HA TYR 46 HA TYR 46 -14.185 -5.277 -4.550
265 HB2 TYR 46 HB2 TYR 46 -11.248 -4.821 -5.127
266 HB3 TYR 46 HB1 TYR 46 -12.100 -6.356 -5.259
267 HD1 TYR 46 HD1 TYR 46 -10.815 -3.754 -7.112
268 HD2 TYR 46 HD2 TYR 46 -14.342 -6.111 -6.794
269 HE1 TYR 46 HE1 TYR 46 -11.364 -3.236 -9.452
270 HE2 TYR 46 HE2 TYR 46 -14.901 -5.602 -9.134
271 HH TYR 46 HH TYR 46 -13.795 -4.895 -11.179
272 H LYS 47 HN LYS 47 -13.225 -7.074 -3.235
273 HA LYS 47 HA LYS 47 -11.966 -6.086 -0.769
274 HB2 LYS 47 HB2 LYS 47 -13.470 -7.275 0.617
275 HB3 LYS 47 HB1 LYS 47 -14.471 -6.426 -0.552
276 HG2 LYS 47 HG2 LYS 47 -15.412 -8.331 -1.164
277 HG3 LYS 47 HG1 LYS 47 -13.836 -8.993 -1.602
278 HD2 LYS 47 HD2 LYS 47 -14.279 -10.490 0.022
279 HD3 LYS 47 HD1 LYS 47 -13.748 -9.197 1.101
280 HE2 LYS 47 HE2 LYS 47 -16.599 -9.739 0.275
281 HE3 LYS 47 HE1 LYS 47 -15.877 -10.183 1.822
282 HZ1 LYS 47 HZ1 LYS 47 -15.674 -7.948 2.438
283 HZ2 LYS 47 HZ2 LYS 47 -17.218 -8.059 1.755
284 HZ3 LYS 47 HZ3 LYS 47 -15.947 -7.382 0.867
285 H CYS 48 HN CYS 48 -10.968 -7.796 0.538
286 HA CYS 48 HA CYS 48 -9.543 -9.660 -1.164
287 HB2 CYS 48 HB2 CYS 48 -9.269 -8.857 1.731
288 HB3 CYS 48 HB1 CYS 48 -8.337 -10.179 1.037
289 H GLY 49 HN GLY 49 -10.197 -11.677 -1.500
290 HA2 GLY 49 HA2 GLY 49 -12.288 -12.825 0.155
291 HA3 GLY 49 HA1 GLY 49 -11.631 -13.510 -1.324
292 HA PRO 50 HA PRO 50 -10.096 -15.802 2.554
293 HB2 PRO 50 HB2 PRO 50 -11.145 -18.112 1.031
294 HB3 PRO 50 HB1 PRO 50 -11.331 -17.714 2.741
295 HG2 PRO 50 HG2 PRO 50 -13.369 -17.455 1.032
296 HG3 PRO 50 HG1 PRO 50 -13.121 -16.300 2.354
297 HD2 PRO 50 HD2 PRO 50 -12.488 -16.014 -0.557
298 HD3 PRO 50 HD1 PRO 50 -13.157 -14.819 0.575
299 H GLY 51 HN GLY 51 -9.879 -16.190 -0.909
300 HA2 GLY 51 HA2 GLY 51 -7.368 -17.695 -0.623
301 HA3 GLY 51 HA1 GLY 51 -8.312 -17.553 -2.098
302 H GLY 52 HN GLY 52 -7.616 -14.783 -0.089
303 HA2 GLY 52 HA2 GLY 52 -6.523 -12.819 -0.579
304 HA3 GLY 52 HA1 GLY 52 -5.222 -13.877 -1.102
305 H THR 53 HN THR 53 -7.936 -11.922 -2.115
306 HA THR 53 HA THR 53 -6.810 -11.357 -4.634
307 HB THR 53 HB THR 53 -9.105 -12.411 -5.702
308 HG1 THR 53 HG1 THR 53 -9.674 -13.741 -4.063
309 HG21 THR 53 HG21 THR 53 -7.638 -13.350 -7.105
310 HG22 THR 53 HG22 THR 53 -6.915 -14.320 -5.822
311 HG23 THR 53 HG23 THR 53 -6.377 -12.661 -6.081
312 H CYS 54 HN CYS 54 -8.051 -9.748 -5.773
313 HA CYS 54 HA CYS 54 -9.944 -8.386 -4.026
314 HB2 CYS 54 HB2 CYS 54 -8.565 -7.519 -6.573
315 HB3 CYS 54 HB1 CYS 54 -9.699 -6.518 -5.676
316 H ILE 55 HN ILE 55 -11.853 -9.510 -4.236
317 HA ILE 55 HA ILE 55 -12.980 -9.767 -6.940
318 HB ILE 55 HB ILE 55 -14.728 -11.190 -5.686
319 HG12 ILE 55 HG12 ILE 55 -12.556 -11.724 -3.713
320 HG13 ILE 55 HG11 ILE 55 -13.577 -10.314 -3.448
321 HG21 ILE 55 HG21 ILE 55 -11.935 -12.301 -5.786
322 HG22 ILE 55 HG22 ILE 55 -12.899 -11.979 -7.228
323 HG23 ILE 55 HG23 ILE 55 -13.456 -13.157 -6.038
324 HD11 ILE 55 HD11 ILE 55 -15.554 -11.758 -3.489
325 HD12 ILE 55 HD12 ILE 55 -14.414 -12.221 -2.226
326 HD13 ILE 55 HD13 ILE 55 -14.510 -13.162 -3.713
327 H SER 56 HN SER 56 -15.534 -9.676 -6.796
328 HA SER 56 HA SER 56 -16.247 -7.230 -5.317
329 HB2 SER 56 HB2 SER 56 -15.977 -7.176 -7.946
330 HB3 SER 56 HB1 SER 56 -17.593 -7.882 -7.906
331 HG SER 56 HG SER 56 -17.632 -5.893 -6.204
Start of MODEL 12
1 H1 ASP 1 HT1 ASP 1 3.705 16.707 -4.291
2 H2 ASP 1 HT2 ASP 1 4.137 16.641 -2.657
3 H3 ASP 1 HT3 ASP 1 2.550 17.027 -3.098
4 HA ASP 1 HA ASP 1 2.628 14.722 -4.271
5 HB2 ASP 1 HB2 ASP 1 5.060 14.861 -2.678
6 HB3 ASP 1 HB1 ASP 1 4.070 13.474 -2.234
7 H VAL 2 HN VAL 2 2.298 12.760 -2.370
8 HA VAL 2 HA VAL 2 0.257 13.937 -0.599
9 HB VAL 2 HB VAL 2 0.219 11.080 -1.539
10 HG11 VAL 2 HG11 VAL 2 -2.280 12.521 -1.056
11 HG12 VAL 2 HG12 VAL 2 -1.237 12.393 0.361
12 HG13 VAL 2 HG13 VAL 2 -1.754 10.937 -0.488
13 HG21 VAL 2 HG21 VAL 2 -1.663 12.194 -3.093
14 HG22 VAL 2 HG22 VAL 2 -0.000 11.935 -3.623
15 HG23 VAL 2 HG23 VAL 2 -0.503 13.522 -3.039
16 H GLN 3 HN GLN 3 0.682 13.796 1.497
17 HA GLN 3 HA GLN 3 2.858 12.182 2.463
18 HB2 GLN 3 HB2 GLN 3 1.192 14.363 3.476
19 HB3 GLN 3 HB1 GLN 3 1.569 13.156 4.698
20 HG2 GLN 3 HG2 GLN 3 3.985 13.411 4.036
21 HG3 GLN 3 HG1 GLN 3 3.487 14.807 3.081
22 HE21 GLN 3 HE21 GLN 3 4.791 13.943 5.923
23 HE22 GLN 3 HE22 GLN 3 4.304 15.277 6.907
24 H CYS 4 HN CYS 4 2.564 10.061 2.660
25 HA CYS 4 HA CYS 4 0.283 8.597 2.797
26 HB2 CYS 4 HB2 CYS 4 2.936 8.032 4.126
27 HB3 CYS 4 HB1 CYS 4 1.652 6.842 3.956
28 H GLY 5 HN GLY 5 1.674 10.461 5.368
29 HA2 GLY 5 HA2 GLY 5 -0.229 10.981 7.023
30 HA3 GLY 5 HA1 GLY 5 -0.182 9.245 7.302
31 H GLY 6 HN GLY 6 2.012 8.362 7.928
32 HA2 GLY 6 HA2 GLY 6 2.921 9.708 10.238
33 HA3 GLY 6 HA1 GLY 6 3.681 8.307 9.497
34 H GLY 7 HN GLY 7 4.861 8.878 7.353
35 HA2 GLY 7 HA2 GLY 7 5.942 11.550 7.240
36 HA3 GLY 7 HA1 GLY 7 7.075 10.364 7.859
37 H PHE 8 HN PHE 8 5.060 8.839 5.622
38 HA PHE 8 HA PHE 8 7.211 8.929 3.662
39 HB2 PHE 8 HB2 PHE 8 4.945 7.108 4.233
40 HB3 PHE 8 HB1 PHE 8 5.445 7.236 2.551
41 HD1 PHE 8 HD1 PHE 8 6.802 5.527 1.890
42 HD2 PHE 8 HD2 PHE 8 7.219 7.056 5.840
43 HE1 PHE 8 HE1 PHE 8 8.639 3.944 2.303
44 HE2 PHE 8 HE2 PHE 8 9.059 5.476 6.260
45 HZ PHE 8 HZ PHE 8 9.771 3.918 4.491
46 H SER 9 HN SER 9 6.193 8.620 1.289
47 HA SER 9 HA SER 9 4.029 10.453 0.740
48 HB2 SER 9 HB2 SER 9 6.073 11.405 -0.959
49 HB3 SER 9 HB1 SER 9 5.285 12.273 0.358
50 HG SER 9 HG SER 9 7.710 10.847 0.366
51 H CYS 10 HN CYS 10 3.270 10.306 -1.428
52 HA CYS 10 HA CYS 10 4.569 8.331 -3.140
53 HB2 CYS 10 HB2 CYS 10 1.949 8.000 -1.798
54 HB3 CYS 10 HB1 CYS 10 2.060 7.480 -3.473
55 H HIS 11 HN HIS 11 2.807 8.041 -5.135
56 HA HIS 11 HA HIS 11 2.838 10.676 -6.341
57 HB2 HIS 11 HB2 HIS 11 2.181 7.977 -7.526
58 HB3 HIS 11 HB1 HIS 11 2.343 9.476 -8.434
59 HD1 HIS 11 HD1 HIS 11 4.940 10.483 -6.947
60 HD2 HIS 11 HD2 HIS 11 4.379 6.703 -8.581
61 HE1 HIS 11 HE1 HIS 11 7.249 9.596 -7.398
62 HE2 HIS 11 HE2 HIS 11 6.887 7.278 -8.319
63 H ASP 12 HN ASP 12 1.140 11.654 -7.385
64 HA ASP 12 HA ASP 12 -1.316 11.732 -6.071
65 HB2 ASP 12 HB2 ASP 12 -0.087 13.091 -8.239
66 HB3 ASP 12 HB1 ASP 12 -1.668 12.554 -8.798
67 H GLY 13 HN GLY 13 -3.266 10.747 -6.373
68 HA2 GLY 13 HA2 GLY 13 -4.869 9.430 -7.469
69 HA3 GLY 13 HA1 GLY 13 -3.664 9.009 -8.677
70 H GLU 14 HN GLU 14 -2.057 8.582 -5.912
71 HA GLU 14 HA GLU 14 -2.786 5.730 -5.814
72 HB2 GLU 14 HB2 GLU 14 -0.605 5.219 -5.431
73 HB3 GLU 14 HB1 GLU 14 -0.354 6.765 -6.229
74 HG2 GLU 14 HG2 GLU 14 0.955 7.106 -4.431
75 HG3 GLU 14 HG1 GLU 14 -0.575 7.643 -3.736
76 H THR 15 HN THR 15 -2.406 4.682 -3.596
77 HA THR 15 HA THR 15 -3.377 6.448 -1.452
78 HB THR 15 HB THR 15 -4.221 3.570 -1.854
79 HG1 THR 15 HG1 THR 15 -5.998 4.325 -2.822
80 HG21 THR 15 HG21 THR 15 -4.641 5.597 0.257
81 HG22 THR 15 HG22 THR 15 -4.611 3.837 0.364
82 HG23 THR 15 HG23 THR 15 -6.060 4.661 -0.214
83 H CYS 16 HN CYS 16 -2.302 6.299 0.439
84 HA CYS 16 HA CYS 16 -0.061 4.438 0.579
85 HB2 CYS 16 HB2 CYS 16 -0.837 6.861 2.197
86 HB3 CYS 16 HB1 CYS 16 0.482 5.795 2.676
87 H CYS 17 HN CYS 17 -0.039 2.664 1.831
88 HA CYS 17 HA CYS 17 -2.180 2.385 3.838
89 HB2 CYS 17 HB2 CYS 17 -2.908 0.738 2.466
90 HB3 CYS 17 HB1 CYS 17 -1.357 0.603 1.642
91 HA PRO 18 HA PRO 18 1.224 1.515 6.578
92 HB2 PRO 18 HB2 PRO 18 -0.176 1.273 8.833
93 HB3 PRO 18 HB1 PRO 18 -0.086 2.831 7.998
94 HG2 PRO 18 HG2 PRO 18 -2.299 0.820 8.024
95 HG3 PRO 18 HG1 PRO 18 -2.390 2.588 8.088
96 HD2 PRO 18 HD2 PRO 18 -2.735 1.039 5.796
97 HD3 PRO 18 HD1 PRO 18 -2.356 2.771 5.819
98 H THR 19 HN THR 19 1.996 -0.513 5.903
99 HA THR 19 HA THR 19 0.466 -2.895 6.556
100 HB THR 19 HB THR 19 1.982 -4.121 5.223
101 HG1 THR 19 HG1 THR 19 3.953 -3.058 4.456
102 HG21 THR 19 HG21 THR 19 1.833 -3.065 3.122
103 HG22 THR 19 HG22 THR 19 1.941 -1.454 3.831
104 HG23 THR 19 HG23 THR 19 0.480 -2.419 4.051
105 H SER 20 HN SER 20 2.615 -0.972 8.204
106 HA SER 20 HA SER 20 3.151 -3.102 10.098
107 HB2 SER 20 HB2 SER 20 5.474 -1.453 9.106
108 HB3 SER 20 HB1 SER 20 5.517 -2.886 10.133
109 HG SER 20 HG SER 20 4.952 -2.709 7.371
110 H GLN 21 HN GLN 21 5.197 -0.335 10.183
111 HA GLN 21 HA GLN 21 3.386 1.137 11.937
112 HB2 GLN 21 HB2 GLN 21 5.772 1.350 13.301
113 HB3 GLN 21 HB1 GLN 21 4.407 0.350 13.776
114 HG2 GLN 21 HG2 GLN 21 5.763 -1.395 13.685
115 HG3 GLN 21 HG1 GLN 21 5.806 -1.193 11.933
116 HE21 GLN 21 HE21 GLN 21 7.807 -1.371 11.246
117 HE22 GLN 21 HE22 GLN 21 9.206 -0.676 11.982
118 H THR 22 HN THR 22 6.868 1.265 11.202
119 HA THR 22 HA THR 22 6.563 4.082 10.481
120 HB THR 22 HB THR 22 8.881 4.343 10.789
121 HG1 THR 22 HG1 THR 22 10.257 2.454 11.023
122 HG21 THR 22 HG21 THR 22 7.864 2.317 12.781
123 HG22 THR 22 HG22 THR 22 7.801 4.075 12.915
124 HG23 THR 22 HG23 THR 22 9.353 3.240 12.985
125 H THR 23 HN THR 23 6.024 1.467 8.845
126 HA THR 23 HA THR 23 7.483 2.336 6.435
127 HB THR 23 HB THR 23 6.423 -0.301 6.098
128 HG1 THR 23 HG1 THR 23 7.865 0.171 8.494
129 HG21 THR 23 HG21 THR 23 8.279 0.570 4.824
130 HG22 THR 23 HG22 THR 23 8.823 -0.840 5.734
131 HG23 THR 23 HG23 THR 23 9.235 0.782 6.291
132 H TRP 24 HN TRP 24 6.263 3.168 4.881
133 HA TRP 24 HA TRP 24 3.382 2.562 4.893
134 HB2 TRP 24 HB2 TRP 24 4.923 5.060 4.367
135 HB3 TRP 24 HB1 TRP 24 3.418 4.815 3.485
136 HD1 TRP 24 HD1 TRP 24 4.753 5.630 6.940
137 HE1 TRP 24 HE1 TRP 24 2.779 6.205 8.491
138 HE3 TRP 24 HE3 TRP 24 0.920 4.286 3.873
139 HZ2 TRP 24 HZ2 TRP 24 -0.048 6.094 8.412
140 HZ3 TRP 24 HZ3 TRP 24 -1.393 4.539 4.675
141 HH2 TRP 24 HH2 TRP 24 -1.861 5.424 6.896
142 H GLY 25 HN GLY 25 2.674 1.366 3.275
143 HA2 GLY 25 HA2 GLY 25 4.350 0.914 0.947
144 HA3 GLY 25 HA1 GLY 25 2.870 0.059 1.352
145 H CYS 26 HN CYS 26 3.807 1.289 -1.172
146 HA CYS 26 HA CYS 26 1.822 3.403 -1.588
147 HB2 CYS 26 HB2 CYS 26 4.388 3.304 -2.388
148 HB3 CYS 26 HB1 CYS 26 3.629 2.554 -3.786
149 H CYS 27 HN CYS 27 -0.121 2.798 -2.264
150 HA CYS 27 HA CYS 27 -0.387 0.369 -3.900
151 HB2 CYS 27 HB2 CYS 27 -2.218 1.769 -1.980
152 HB3 CYS 27 HB1 CYS 27 -2.892 0.726 -3.228
153 HA PRO 28 HA PRO 28 -1.403 3.194 -7.224
154 HB2 PRO 28 HB2 PRO 28 -1.665 1.381 -9.185
155 HB3 PRO 28 HB1 PRO 28 -0.086 1.798 -8.509
156 HG2 PRO 28 HG2 PRO 28 -1.821 -0.574 -7.949
157 HG3 PRO 28 HG1 PRO 28 -0.063 -0.498 -8.167
158 HD2 PRO 28 HD2 PRO 28 -1.310 -0.606 -5.721
159 HD3 PRO 28 HD1 PRO 28 0.300 0.090 -5.987
160 H SER 29 HN SER 29 -3.460 3.779 -6.242
161 HA SER 29 HA SER 29 -5.675 3.224 -7.876
162 HB2 SER 29 HB2 SER 29 -6.943 2.197 -5.699
163 HB3 SER 29 HB1 SER 29 -6.263 1.214 -6.997
164 HG SER 29 HG SER 29 -5.160 1.804 -4.465
165 HA PRO 30 HA PRO 30 -7.094 6.996 -6.069
166 HB2 PRO 30 HB2 PRO 30 -9.849 5.898 -6.136
167 HB3 PRO 30 HB1 PRO 30 -9.197 7.350 -6.904
168 HG2 PRO 30 HG2 PRO 30 -9.775 5.193 -8.355
169 HG3 PRO 30 HG1 PRO 30 -8.337 6.169 -8.708
170 HD2 PRO 30 HD2 PRO 30 -8.540 3.550 -7.266
171 HD3 PRO 30 HD1 PRO 30 -7.340 4.086 -8.462
172 H LYS 31 HN LYS 31 -9.507 4.688 -4.860
173 HA LYS 31 HA LYS 31 -8.980 5.614 -2.127
174 HB2 LYS 31 HB2 LYS 31 -11.287 4.157 -3.405
175 HB3 LYS 31 HB1 LYS 31 -11.092 4.205 -1.658
176 HG2 LYS 31 HG2 LYS 31 -11.074 6.748 -3.217
177 HG3 LYS 31 HG1 LYS 31 -12.603 5.946 -2.853
178 HD2 LYS 31 HD2 LYS 31 -12.479 6.423 -0.641
179 HD3 LYS 31 HD1 LYS 31 -10.722 6.258 -0.596
180 HE2 LYS 31 HE2 LYS 31 -10.385 8.445 -0.993
181 HE3 LYS 31 HE1 LYS 31 -11.692 8.531 -2.174
182 HZ1 LYS 31 HZ1 LYS 31 -11.867 8.757 0.771
183 HZ2 LYS 31 HZ2 LYS 31 -13.228 8.425 -0.177
184 HZ3 LYS 31 HZ3 LYS 31 -12.374 9.868 -0.401
185 H ALA 32 HN ALA 32 -10.143 2.519 -3.308
186 HA ALA 32 HA ALA 32 -9.519 0.374 -2.992
187 HB1 ALA 32 HB1 ALA 32 -7.687 0.448 -4.276
188 HB2 ALA 32 HB2 ALA 32 -6.853 0.217 -2.740
189 HB3 ALA 32 HB3 ALA 32 -7.009 1.835 -3.425
190 H VAL 33 HN VAL 33 -9.209 -1.154 -1.490
191 HA VAL 33 HA VAL 33 -8.653 -0.252 1.254
192 HB VAL 33 HB VAL 33 -9.859 -2.913 0.522
193 HG11 VAL 33 HG11 VAL 33 -8.962 -2.223 2.861
194 HG12 VAL 33 HG12 VAL 33 -10.517 -3.046 2.733
195 HG13 VAL 33 HG13 VAL 33 -10.461 -1.297 2.963
196 HG21 VAL 33 HG21 VAL 33 -11.467 -1.641 -0.498
197 HG22 VAL 33 HG22 VAL 33 -11.160 -0.237 0.524
198 HG23 VAL 33 HG23 VAL 33 -12.063 -1.611 1.163
199 H CYS 34 HN CYS 34 -6.647 -0.700 1.963
200 HA CYS 34 HA CYS 34 -4.868 -2.349 0.528
201 HB2 CYS 34 HB2 CYS 34 -4.042 -0.484 1.817
202 HB3 CYS 34 HB1 CYS 34 -4.643 -1.196 3.313
203 H CYS 35 HN CYS 35 -5.298 -4.490 0.349
204 HA CYS 35 HA CYS 35 -6.488 -6.152 2.227
205 HB2 CYS 35 HB2 CYS 35 -5.457 -6.492 -0.298
206 HB3 CYS 35 HB1 CYS 35 -4.341 -7.437 0.682
207 H ASP 36 HN ASP 36 -5.891 -6.525 4.228
208 HA ASP 36 HA ASP 36 -3.164 -6.127 5.083
209 HB2 ASP 36 HB2 ASP 36 -5.342 -5.428 6.312
210 HB3 ASP 36 HB1 ASP 36 -5.360 -7.097 6.877
211 H ASP 37 HN ASP 37 -5.134 -8.889 4.259
212 HA ASP 37 HA ASP 37 -4.276 -10.904 5.834
213 HB2 ASP 37 HB2 ASP 37 -5.065 -10.675 3.017
214 HB3 ASP 37 HB1 ASP 37 -4.049 -12.073 3.355
215 H MET 38 HN MET 38 -2.469 -9.506 3.138
216 HA MET 38 HA MET 38 -0.004 -10.586 4.310
217 HB2 MET 38 HB2 MET 38 -0.896 -10.760 1.437
218 HB3 MET 38 HB1 MET 38 0.804 -10.838 1.879
219 HG2 MET 38 HG2 MET 38 0.563 -12.869 2.963
220 HG3 MET 38 HG1 MET 38 -1.177 -12.668 3.164
221 HE1 MET 38 HE1 MET 38 0.560 -15.449 0.403
222 HE2 MET 38 HE2 MET 38 -0.189 -15.585 1.993
223 HE3 MET 38 HE3 MET 38 1.286 -14.640 1.793
224 H GLN 39 HN GLN 39 -0.245 -8.878 1.257
225 HA GLN 39 HA GLN 39 0.184 -6.291 2.384
226 HB2 GLN 39 HB2 GLN 39 2.483 -7.343 2.478
227 HB3 GLN 39 HB1 GLN 39 2.428 -7.456 0.724
228 HG2 GLN 39 HG2 GLN 39 2.280 -5.050 0.538
229 HG3 GLN 39 HG1 GLN 39 2.228 -4.896 2.294
230 HE21 GLN 39 HE21 GLN 39 4.249 -6.950 0.246
231 HE22 GLN 39 HE22 GLN 39 5.757 -6.299 0.778
232 H HIS 40 HN HIS 40 -1.815 -6.091 1.093
233 HA HIS 40 HA HIS 40 -1.149 -5.462 -1.684
234 HB2 HIS 40 HB2 HIS 40 -3.234 -7.506 -0.923
235 HB3 HIS 40 HB1 HIS 40 -3.142 -6.757 -2.512
236 HD1 HIS 40 HD1 HIS 40 -0.844 -7.243 -3.851
237 HD2 HIS 40 HD2 HIS 40 -1.651 -9.694 -0.595
238 HE1 HIS 40 HE1 HIS 40 0.649 -9.248 -4.131
239 HE2 HIS 40 HE2 HIS 40 0.168 -10.702 -2.131
240 H CYS 41 HN CYS 41 -3.450 -4.978 -2.814
241 HA CYS 41 HA CYS 41 -5.164 -3.394 -1.091
242 HB2 CYS 41 HB2 CYS 41 -4.599 -1.789 -3.394
243 HB3 CYS 41 HB1 CYS 41 -4.382 -1.385 -1.695
244 H CYS 42 HN CYS 42 -7.209 -3.003 -1.998
245 HA CYS 42 HA CYS 42 -7.721 -4.410 -4.533
246 HB2 CYS 42 HB2 CYS 42 -9.042 -4.628 -1.887
247 HB3 CYS 42 HB1 CYS 42 -10.095 -4.655 -3.297
248 HA PRO 43 HA PRO 43 -9.279 -0.609 -6.163
249 HB2 PRO 43 HB2 PRO 43 -11.392 -1.781 -7.608
250 HB3 PRO 43 HB1 PRO 43 -9.767 -1.438 -8.206
251 HG2 PRO 43 HG2 PRO 43 -10.915 -3.986 -7.183
252 HG3 PRO 43 HG1 PRO 43 -9.707 -3.723 -8.455
253 HD2 PRO 43 HD2 PRO 43 -9.004 -4.625 -6.037
254 HD3 PRO 43 HD1 PRO 43 -7.973 -3.483 -6.927
255 H ALA 44 HN ALA 44 -10.588 0.856 -5.334
256 HA ALA 44 HA ALA 44 -12.258 0.559 -3.212
257 HB1 ALA 44 HB1 ALA 44 -11.990 2.765 -3.549
258 HB2 ALA 44 HB2 ALA 44 -13.492 2.623 -4.463
259 HB3 ALA 44 HB3 ALA 44 -11.942 2.596 -5.304
260 H GLY 45 HN GLY 45 -14.239 -0.236 -2.827
261 HA2 GLY 45 HA2 GLY 45 -16.527 -0.588 -3.396
262 HA3 GLY 45 HA1 GLY 45 -16.069 -0.599 -5.094
263 H TYR 46 HN TYR 46 -13.710 -2.372 -3.807
264 HA TYR 46 HA TYR 46 -15.238 -4.871 -4.105
265 HB2 TYR 46 HB2 TYR 46 -12.400 -4.161 -4.823
266 HB3 TYR 46 HB1 TYR 46 -12.921 -5.835 -4.663
267 HD1 TYR 46 HD1 TYR 46 -14.110 -2.702 -6.333
268 HD2 TYR 46 HD2 TYR 46 -13.514 -6.905 -6.616
269 HE1 TYR 46 HE1 TYR 46 -14.943 -2.658 -8.646
270 HE2 TYR 46 HE2 TYR 46 -14.345 -6.872 -8.931
271 HH TYR 46 HH TYR 46 -15.047 -5.607 -10.621
272 H LYS 47 HN LYS 47 -14.333 -6.743 -2.905
273 HA LYS 47 HA LYS 47 -13.254 -5.918 -0.287
274 HB2 LYS 47 HB2 LYS 47 -15.486 -6.530 0.142
275 HB3 LYS 47 HB1 LYS 47 -15.434 -7.867 -0.995
276 HG2 LYS 47 HG2 LYS 47 -13.550 -8.129 1.224
277 HG3 LYS 47 HG1 LYS 47 -15.245 -8.083 1.713
278 HD2 LYS 47 HD2 LYS 47 -14.354 -9.849 -0.537
279 HD3 LYS 47 HD1 LYS 47 -14.156 -10.364 1.139
280 HE2 LYS 47 HE2 LYS 47 -16.566 -10.196 -0.505
281 HE3 LYS 47 HE1 LYS 47 -16.233 -11.177 0.920
282 HZ1 LYS 47 HZ1 LYS 47 -17.147 -8.358 0.844
283 HZ2 LYS 47 HZ2 LYS 47 -16.586 -9.108 2.252
284 HZ3 LYS 47 HZ3 LYS 47 -17.970 -9.695 1.475
285 H CYS 48 HN CYS 48 -11.904 -7.503 0.808
286 HA CYS 48 HA CYS 48 -10.317 -9.031 -1.085
287 HB2 CYS 48 HB2 CYS 48 -9.954 -8.039 1.701
288 HB3 CYS 48 HB1 CYS 48 -9.060 -9.480 1.231
289 H GLY 49 HN GLY 49 -10.239 -11.225 -1.205
290 HA2 GLY 49 HA2 GLY 49 -12.070 -12.688 0.586
291 HA3 GLY 49 HA1 GLY 49 -11.712 -13.156 -1.069
292 HA PRO 50 HA PRO 50 -9.175 -15.678 2.037
293 HB2 PRO 50 HB2 PRO 50 -10.036 -17.780 0.119
294 HB3 PRO 50 HB1 PRO 50 -9.971 -17.824 1.884
295 HG2 PRO 50 HG2 PRO 50 -12.302 -17.611 0.611
296 HG3 PRO 50 HG1 PRO 50 -11.999 -16.724 2.118
297 HD2 PRO 50 HD2 PRO 50 -11.997 -15.730 -0.702
298 HD3 PRO 50 HD1 PRO 50 -12.589 -14.939 0.774
299 H GLY 51 HN GLY 51 -7.059 -15.619 1.661
300 HA2 GLY 51 HA2 GLY 51 -5.053 -16.089 0.592
301 HA3 GLY 51 HA1 GLY 51 -5.954 -16.642 -0.810
302 H GLY 52 HN GLY 52 -7.009 -13.633 0.248
303 HA2 GLY 52 HA2 GLY 52 -6.615 -11.468 -0.446
304 HA3 GLY 52 HA1 GLY 52 -5.048 -11.995 -1.042
305 H THR 53 HN THR 53 -8.271 -11.191 -1.848
306 HA THR 53 HA THR 53 -7.651 -11.063 -4.634
307 HB THR 53 HB THR 53 -9.891 -12.509 -5.028
308 HG1 THR 53 HG1 THR 53 -9.377 -14.496 -3.691
309 HG21 THR 53 HG21 THR 53 -7.389 -14.100 -4.829
310 HG22 THR 53 HG22 THR 53 -7.374 -12.676 -5.871
311 HG23 THR 53 HG23 THR 53 -8.543 -13.965 -6.156
312 H CYS 54 HN CYS 54 -9.009 -9.662 -5.703
313 HA CYS 54 HA CYS 54 -10.899 -8.234 -4.019
314 HB2 CYS 54 HB2 CYS 54 -10.029 -7.551 -6.826
315 HB3 CYS 54 HB1 CYS 54 -10.800 -6.485 -5.655
316 H ILE 55 HN ILE 55 -12.838 -9.162 -3.930
317 HA ILE 55 HA ILE 55 -14.126 -9.964 -6.457
318 HB ILE 55 HB ILE 55 -15.655 -10.958 -4.315
319 HG12 ILE 55 HG12 ILE 55 -12.757 -11.752 -3.982
320 HG13 ILE 55 HG11 ILE 55 -13.552 -10.562 -2.958
321 HG21 ILE 55 HG21 ILE 55 -15.655 -12.741 -5.646
322 HG22 ILE 55 HG22 ILE 55 -13.903 -12.911 -5.547
323 HG23 ILE 55 HG23 ILE 55 -14.616 -11.813 -6.728
324 HD11 ILE 55 HD11 ILE 55 -14.891 -12.142 -1.942
325 HD12 ILE 55 HD12 ILE 55 -13.370 -13.009 -2.163
326 HD13 ILE 55 HD13 ILE 55 -14.716 -13.293 -3.267
327 H SER 56 HN SER 56 -16.427 -9.542 -6.654
328 HA SER 56 HA SER 56 -17.107 -6.935 -5.569
329 HB2 SER 56 HB2 SER 56 -17.957 -8.570 -7.872
330 HB3 SER 56 HB1 SER 56 -19.241 -7.624 -7.120
331 HG SER 56 HG SER 56 -17.512 -5.868 -7.256
Start of MODEL 13
1 H1 ASP 1 HT1 ASP 1 3.622 16.777 -4.420
2 H2 ASP 1 HT2 ASP 1 4.995 16.289 -5.279
3 H3 ASP 1 HT3 ASP 1 5.159 16.961 -3.735
4 HA ASP 1 HA ASP 1 4.149 14.302 -4.499
5 HB2 ASP 1 HB2 ASP 1 5.733 13.708 -2.585
6 HB3 ASP 1 HB1 ASP 1 6.477 14.345 -4.048
7 H VAL 2 HN VAL 2 3.441 12.973 -2.597
8 HA VAL 2 HA VAL 2 1.815 14.593 -0.743
9 HB VAL 2 HB VAL 2 0.986 11.840 -1.595
10 HG11 VAL 2 HG11 VAL 2 -1.135 12.462 -0.823
11 HG12 VAL 2 HG12 VAL 2 -0.743 14.181 -0.859
12 HG13 VAL 2 HG13 VAL 2 -0.019 13.136 0.364
13 HG21 VAL 2 HG21 VAL 2 -0.576 13.569 -3.085
14 HG22 VAL 2 HG22 VAL 2 0.709 12.528 -3.698
15 HG23 VAL 2 HG23 VAL 2 1.059 14.205 -3.276
16 H GLN 3 HN GLN 3 1.997 14.152 1.373
17 HA GLN 3 HA GLN 3 3.852 12.052 2.176
18 HB2 GLN 3 HB2 GLN 3 3.061 14.631 3.217
19 HB3 GLN 3 HB1 GLN 3 2.927 13.394 4.459
20 HG2 GLN 3 HG2 GLN 3 5.369 12.885 3.252
21 HG3 GLN 3 HG1 GLN 3 5.276 14.644 3.333
22 HE21 GLN 3 HE21 GLN 3 7.128 13.127 4.764
23 HE22 GLN 3 HE22 GLN 3 6.789 13.289 6.450
24 H CYS 4 HN CYS 4 3.193 10.145 2.916
25 HA CYS 4 HA CYS 4 0.505 9.389 3.047
26 HB2 CYS 4 HB2 CYS 4 2.786 8.024 4.486
27 HB3 CYS 4 HB1 CYS 4 1.275 7.296 3.957
28 H GLY 5 HN GLY 5 2.655 9.262 5.886
29 HA2 GLY 5 HA2 GLY 5 0.918 10.915 7.470
30 HA3 GLY 5 HA1 GLY 5 0.755 9.206 7.846
31 H GLY 6 HN GLY 6 3.354 11.591 7.313
32 HA2 GLY 6 HA2 GLY 6 5.222 12.067 8.569
33 HA3 GLY 6 HA1 GLY 6 4.448 11.234 9.909
34 H GLY 7 HN GLY 7 5.830 10.357 6.738
35 HA2 GLY 7 HA2 GLY 7 7.976 8.877 7.707
36 HA3 GLY 7 HA1 GLY 7 6.620 7.768 7.573
37 H PHE 8 HN PHE 8 5.660 7.435 5.475
38 HA PHE 8 HA PHE 8 7.672 7.574 3.377
39 HB2 PHE 8 HB2 PHE 8 5.064 6.100 3.666
40 HB3 PHE 8 HB1 PHE 8 5.915 6.174 2.129
41 HD1 PHE 8 HD1 PHE 8 6.541 5.332 5.707
42 HD2 PHE 8 HD2 PHE 8 7.412 4.514 1.623
43 HE1 PHE 8 HE1 PHE 8 7.933 3.421 6.390
44 HE2 PHE 8 HE2 PHE 8 8.806 2.602 2.298
45 HZ PHE 8 HZ PHE 8 9.067 2.053 4.684
46 H SER 9 HN SER 9 6.690 7.849 1.093
47 HA SER 9 HA SER 9 4.676 9.951 0.955
48 HB2 SER 9 HB2 SER 9 6.919 10.605 -0.779
49 HB3 SER 9 HB1 SER 9 6.057 11.628 0.369
50 HG SER 9 HG SER 9 8.179 9.832 0.935
51 H CYS 10 HN CYS 10 3.848 10.249 -1.233
52 HA CYS 10 HA CYS 10 4.646 8.212 -3.164
53 HB2 CYS 10 HB2 CYS 10 2.005 8.346 -1.782
54 HB3 CYS 10 HB1 CYS 10 2.044 7.853 -3.472
55 H HIS 11 HN HIS 11 3.062 8.406 -5.103
56 HA HIS 11 HA HIS 11 3.432 11.075 -6.132
57 HB2 HIS 11 HB2 HIS 11 2.903 8.423 -7.245
58 HB3 HIS 11 HB1 HIS 11 2.039 9.708 -8.081
59 HD1 HIS 11 HD1 HIS 11 3.432 9.722 -10.194
60 HD2 HIS 11 HD2 HIS 11 5.708 10.167 -6.745
61 HE1 HIS 11 HE1 HIS 11 5.740 10.337 -10.984
62 HE2 HIS 11 HE2 HIS 11 7.088 10.647 -8.879
63 H ASP 12 HN ASP 12 1.857 12.462 -6.949
64 HA ASP 12 HA ASP 12 -0.533 12.580 -5.423
65 HB2 ASP 12 HB2 ASP 12 -0.988 14.627 -6.669
66 HB3 ASP 12 HB1 ASP 12 0.695 14.589 -6.152
67 H GLY 13 HN GLY 13 -0.585 10.152 -6.824
68 HA2 GLY 13 HA2 GLY 13 -3.100 10.390 -8.161
69 HA3 GLY 13 HA1 GLY 13 -1.771 9.838 -9.187
70 H GLU 14 HN GLU 14 -1.449 9.234 -5.897
71 HA GLU 14 HA GLU 14 -2.442 6.466 -6.104
72 HB2 GLU 14 HB2 GLU 14 -0.016 6.805 -4.473
73 HB3 GLU 14 HB1 GLU 14 -0.452 5.516 -5.583
74 HG2 GLU 14 HG2 GLU 14 0.089 7.895 -7.067
75 HG3 GLU 14 HG1 GLU 14 1.418 7.578 -5.954
76 H THR 15 HN THR 15 -2.047 5.478 -3.678
77 HA THR 15 HA THR 15 -2.885 7.457 -1.699
78 HB THR 15 HB THR 15 -4.381 4.871 -2.232
79 HG1 THR 15 HG1 THR 15 -4.702 7.400 -3.136
80 HG21 THR 15 HG21 THR 15 -5.926 5.835 -0.450
81 HG22 THR 15 HG22 THR 15 -4.600 6.923 -0.036
82 HG23 THR 15 HG23 THR 15 -4.388 5.178 0.113
83 H CYS 16 HN CYS 16 -2.068 7.071 0.311
84 HA CYS 16 HA CYS 16 -0.189 4.859 0.550
85 HB2 CYS 16 HB2 CYS 16 -0.696 7.308 2.240
86 HB3 CYS 16 HB1 CYS 16 0.455 6.054 2.684
87 H CYS 17 HN CYS 17 -0.566 3.062 1.707
88 HA CYS 17 HA CYS 17 -2.814 3.088 3.609
89 HB2 CYS 17 HB2 CYS 17 -3.665 1.160 2.764
90 HB3 CYS 17 HB1 CYS 17 -2.849 1.703 1.303
91 HA PRO 18 HA PRO 18 0.274 1.730 6.481
92 HB2 PRO 18 HB2 PRO 18 -1.289 1.368 8.623
93 HB3 PRO 18 HB1 PRO 18 -1.004 2.980 7.952
94 HG2 PRO 18 HG2 PRO 18 -3.379 1.191 7.643
95 HG3 PRO 18 HG1 PRO 18 -3.320 2.947 7.876
96 HD2 PRO 18 HD2 PRO 18 -3.662 1.684 5.433
97 HD3 PRO 18 HD1 PRO 18 -3.074 3.341 5.643
98 H THR 19 HN THR 19 1.108 -0.217 5.933
99 HA THR 19 HA THR 19 -0.476 -2.635 6.036
100 HB THR 19 HB THR 19 1.092 -3.571 4.740
101 HG1 THR 19 HG1 THR 19 3.477 -2.936 5.395
102 HG21 THR 19 HG21 THR 19 1.915 -0.691 4.734
103 HG22 THR 19 HG22 THR 19 1.107 -1.624 3.475
104 HG23 THR 19 HG23 THR 19 2.823 -1.875 3.794
105 H SER 20 HN SER 20 1.361 -0.855 8.255
106 HA SER 20 HA SER 20 1.104 -2.979 10.209
107 HB2 SER 20 HB2 SER 20 3.717 -2.119 9.105
108 HB3 SER 20 HB1 SER 20 3.633 -2.294 10.858
109 HG SER 20 HG SER 20 2.640 -4.425 10.335
110 H GLN 21 HN GLN 21 3.403 -0.407 10.647
111 HA GLN 21 HA GLN 21 1.521 1.417 11.840
112 HB2 GLN 21 HB2 GLN 21 2.587 1.351 14.086
113 HB3 GLN 21 HB1 GLN 21 1.726 -0.128 13.683
114 HG2 GLN 21 HG2 GLN 21 4.132 -0.853 12.841
115 HG3 GLN 21 HG1 GLN 21 4.628 0.346 14.036
116 HE21 GLN 21 HE21 GLN 21 4.313 -0.056 16.196
117 HE22 GLN 21 HE22 GLN 21 3.830 -1.597 16.808
118 H THR 22 HN THR 22 4.629 0.513 10.746
119 HA THR 22 HA THR 22 5.501 3.323 10.858
120 HB THR 22 HB THR 22 7.784 2.668 11.210
121 HG1 THR 22 HG1 THR 22 7.807 0.711 10.050
122 HG21 THR 22 HG21 THR 22 7.669 1.644 13.423
123 HG22 THR 22 HG22 THR 22 6.017 1.114 13.106
124 HG23 THR 22 HG23 THR 22 6.383 2.835 13.225
125 H THR 23 HN THR 23 4.593 0.801 8.957
126 HA THR 23 HA THR 23 6.331 1.574 6.714
127 HB THR 23 HB THR 23 4.497 -0.723 6.377
128 HG1 THR 23 HG1 THR 23 5.382 -1.960 7.877
129 HG21 THR 23 HG21 THR 23 5.926 -0.534 4.594
130 HG22 THR 23 HG22 THR 23 6.861 -1.629 5.612
131 HG23 THR 23 HG23 THR 23 7.248 0.091 5.580
132 H TRP 24 HN TRP 24 5.318 1.834 4.597
133 HA TRP 24 HA TRP 24 2.450 2.352 4.605
134 HB2 TRP 24 HB2 TRP 24 4.564 4.448 4.336
135 HB3 TRP 24 HB1 TRP 24 3.081 4.614 3.401
136 HD1 TRP 24 HD1 TRP 24 4.464 5.080 6.867
137 HE1 TRP 24 HE1 TRP 24 2.603 5.937 8.428
138 HE3 TRP 24 HE3 TRP 24 0.458 4.391 3.788
139 HZ2 TRP 24 HZ2 TRP 24 -0.205 6.273 8.354
140 HZ3 TRP 24 HZ3 TRP 24 -1.783 4.999 4.601
141 HH2 TRP 24 HH2 TRP 24 -2.104 5.917 6.834
142 H GLY 25 HN GLY 25 1.764 1.194 2.930
143 HA2 GLY 25 HA2 GLY 25 3.462 0.759 0.615
144 HA3 GLY 25 HA1 GLY 25 1.893 0.025 0.913
145 H CYS 26 HN CYS 26 2.980 1.308 -1.505
146 HA CYS 26 HA CYS 26 1.250 3.658 -1.777
147 HB2 CYS 26 HB2 CYS 26 3.793 3.366 -2.563
148 HB3 CYS 26 HB1 CYS 26 2.994 2.771 -4.014
149 H CYS 27 HN CYS 27 -0.599 3.605 -2.884
150 HA CYS 27 HA CYS 27 -1.158 1.233 -4.546
151 HB2 CYS 27 HB2 CYS 27 -2.779 2.647 -2.493
152 HB3 CYS 27 HB1 CYS 27 -3.626 1.974 -3.882
153 HA PRO 28 HA PRO 28 -1.803 4.329 -7.712
154 HB2 PRO 28 HB2 PRO 28 -2.263 2.671 -9.767
155 HB3 PRO 28 HB1 PRO 28 -0.652 2.842 -9.060
156 HG2 PRO 28 HG2 PRO 28 -2.685 0.689 -8.642
157 HG3 PRO 28 HG1 PRO 28 -0.930 0.548 -8.844
158 HD2 PRO 28 HD2 PRO 28 -2.220 0.479 -6.415
159 HD3 PRO 28 HD1 PRO 28 -0.525 0.955 -6.632
160 H SER 29 HN SER 29 -4.011 3.607 -5.912
161 HA SER 29 HA SER 29 -6.208 4.201 -7.737
162 HB2 SER 29 HB2 SER 29 -6.665 2.115 -5.625
163 HB3 SER 29 HB1 SER 29 -7.591 2.435 -7.091
164 HG SER 29 HG SER 29 -6.405 0.618 -7.486
165 HA PRO 30 HA PRO 30 -7.491 7.042 -4.623
166 HB2 PRO 30 HB2 PRO 30 -10.223 6.716 -4.625
167 HB3 PRO 30 HB1 PRO 30 -9.330 7.656 -5.824
168 HG2 PRO 30 HG2 PRO 30 -10.369 4.859 -5.998
169 HG3 PRO 30 HG1 PRO 30 -10.370 6.134 -7.230
170 HD2 PRO 30 HD2 PRO 30 -8.580 4.130 -7.272
171 HD3 PRO 30 HD1 PRO 30 -8.152 5.775 -7.787
172 H LYS 31 HN LYS 31 -10.327 5.246 -3.855
173 HA LYS 31 HA LYS 31 -9.687 5.039 -1.132
174 HB2 LYS 31 HB2 LYS 31 -11.850 4.090 -2.899
175 HB3 LYS 31 HB1 LYS 31 -11.606 3.130 -1.446
176 HG2 LYS 31 HG2 LYS 31 -13.221 4.719 -0.868
177 HG3 LYS 31 HG1 LYS 31 -11.717 5.318 -0.162
178 HD2 LYS 31 HD2 LYS 31 -11.433 6.808 -2.110
179 HD3 LYS 31 HD1 LYS 31 -12.979 6.241 -2.744
180 HE2 LYS 31 HE2 LYS 31 -14.187 7.244 -1.006
181 HE3 LYS 31 HE1 LYS 31 -12.753 7.428 0.003
182 HZ1 LYS 31 HZ1 LYS 31 -13.095 8.859 -2.569
183 HZ2 LYS 31 HZ2 LYS 31 -11.966 9.171 -1.349
184 HZ3 LYS 31 HZ3 LYS 31 -13.605 9.503 -1.089
185 H ALA 32 HN ALA 32 -10.523 2.122 -2.927
186 HA ALA 32 HA ALA 32 -9.595 0.047 -3.041
187 HB1 ALA 32 HB1 ALA 32 -7.120 1.709 -2.650
188 HB2 ALA 32 HB2 ALA 32 -7.724 0.951 -4.126
189 HB3 ALA 32 HB3 ALA 32 -7.056 -0.045 -2.833
190 H VAL 33 HN VAL 33 -9.146 -1.702 -1.719
191 HA VAL 33 HA VAL 33 -9.113 -1.129 1.154
192 HB VAL 33 HB VAL 33 -9.713 -3.722 -0.284
193 HG11 VAL 33 HG11 VAL 33 -8.782 -4.037 1.971
194 HG12 VAL 33 HG12 VAL 33 -10.469 -4.543 1.870
195 HG13 VAL 33 HG13 VAL 33 -10.053 -3.005 2.626
196 HG21 VAL 33 HG21 VAL 33 -11.794 -2.996 -0.550
197 HG22 VAL 33 HG22 VAL 33 -11.308 -1.421 0.078
198 HG23 VAL 33 HG23 VAL 33 -11.923 -2.658 1.175
199 H CYS 34 HN CYS 34 -7.082 -0.931 1.853
200 HA CYS 34 HA CYS 34 -4.825 -2.131 0.714
201 HB2 CYS 34 HB2 CYS 34 -4.546 -0.141 1.984
202 HB3 CYS 34 HB1 CYS 34 -5.267 -0.870 3.415
203 H CYS 35 HN CYS 35 -5.375 -4.390 0.514
204 HA CYS 35 HA CYS 35 -5.917 -6.077 2.673
205 HB2 CYS 35 HB2 CYS 35 -4.345 -6.808 0.193
206 HB3 CYS 35 HB1 CYS 35 -5.249 -7.902 1.235
207 H ASP 36 HN ASP 36 -4.783 -6.520 4.353
208 HA ASP 36 HA ASP 36 -1.937 -5.933 4.449
209 HB2 ASP 36 HB2 ASP 36 -3.785 -6.735 6.698
210 HB3 ASP 36 HB1 ASP 36 -2.158 -6.080 6.855
211 H ASP 37 HN ASP 37 -3.994 -8.742 4.259
212 HA ASP 37 HA ASP 37 -2.693 -10.717 5.580
213 HB2 ASP 37 HB2 ASP 37 -4.658 -10.893 3.922
214 HB3 ASP 37 HB1 ASP 37 -3.427 -11.065 2.673
215 H MET 38 HN MET 38 -1.750 -9.218 2.564
216 HA MET 38 HA MET 38 0.967 -10.282 2.907
217 HB2 MET 38 HB2 MET 38 -0.544 -9.828 0.321
218 HB3 MET 38 HB1 MET 38 1.171 -10.198 0.411
219 HG2 MET 38 HG2 MET 38 -0.864 -12.016 1.638
220 HG3 MET 38 HG1 MET 38 -0.484 -12.096 -0.081
221 HE1 MET 38 HE1 MET 38 -0.046 -14.783 1.202
222 HE2 MET 38 HE2 MET 38 -0.084 -14.002 2.783
223 HE3 MET 38 HE3 MET 38 1.308 -14.980 2.315
224 H GLN 39 HN GLN 39 0.451 -8.195 0.254
225 HA GLN 39 HA GLN 39 0.726 -5.751 1.748
226 HB2 GLN 39 HB2 GLN 39 3.074 -6.951 1.355
227 HB3 GLN 39 HB1 GLN 39 2.924 -6.176 -0.218
228 HG2 GLN 39 HG2 GLN 39 2.640 -4.671 2.363
229 HG3 GLN 39 HG1 GLN 39 4.190 -4.906 1.558
230 HE21 GLN 39 HE21 GLN 39 1.490 -2.957 1.813
231 HE22 GLN 39 HE22 GLN 39 1.724 -1.995 0.397
232 H HIS 40 HN HIS 40 -1.307 -5.350 0.579
233 HA HIS 40 HA HIS 40 -0.940 -3.810 -1.733
234 HB2 HIS 40 HB2 HIS 40 -1.840 -5.184 -3.509
235 HB3 HIS 40 HB1 HIS 40 -0.430 -5.984 -2.818
236 HD1 HIS 40 HD1 HIS 40 -3.867 -6.577 -3.741
237 HD2 HIS 40 HD2 HIS 40 -1.236 -8.120 -0.919
238 HE1 HIS 40 HE1 HIS 40 -4.864 -8.770 -3.024
239 HE2 HIS 40 HE2 HIS 40 -3.208 -9.730 -1.386
240 H CYS 41 HN CYS 41 -2.977 -3.114 -2.755
241 HA CYS 41 HA CYS 41 -5.294 -3.610 -1.016
242 HB2 CYS 41 HB2 CYS 41 -5.891 -1.313 -1.085
243 HB3 CYS 41 HB1 CYS 41 -4.172 -1.354 -0.708
244 H CYS 42 HN CYS 42 -7.179 -4.096 -2.022
245 HA CYS 42 HA CYS 42 -7.124 -4.378 -4.902
246 HB2 CYS 42 HB2 CYS 42 -8.159 -5.974 -3.074
247 HB3 CYS 42 HB1 CYS 42 -9.560 -4.926 -3.248
248 HA PRO 43 HA PRO 43 -9.006 -0.657 -6.276
249 HB2 PRO 43 HB2 PRO 43 -11.061 -1.859 -7.805
250 HB3 PRO 43 HB1 PRO 43 -9.477 -1.328 -8.374
251 HG2 PRO 43 HG2 PRO 43 -10.379 -4.035 -7.523
252 HG3 PRO 43 HG1 PRO 43 -9.238 -3.584 -8.805
253 HD2 PRO 43 HD2 PRO 43 -8.337 -4.578 -6.521
254 HD3 PRO 43 HD1 PRO 43 -7.504 -3.195 -7.269
255 H ALA 44 HN ALA 44 -10.298 0.664 -5.319
256 HA ALA 44 HA ALA 44 -11.956 0.304 -3.252
257 HB1 ALA 44 HB1 ALA 44 -13.157 2.362 -3.910
258 HB2 ALA 44 HB2 ALA 44 -12.393 2.268 -5.498
259 HB3 ALA 44 HB3 ALA 44 -11.406 2.511 -4.056
260 H GLY 45 HN GLY 45 -13.678 -0.859 -2.866
261 HA2 GLY 45 HA2 GLY 45 -16.053 -1.200 -3.365
262 HA3 GLY 45 HA1 GLY 45 -15.606 -1.293 -5.061
263 H TYR 46 HN TYR 46 -13.159 -2.987 -3.840
264 HA TYR 46 HA TYR 46 -14.733 -5.478 -3.746
265 HB2 TYR 46 HB2 TYR 46 -12.008 -4.957 -4.941
266 HB3 TYR 46 HB1 TYR 46 -12.642 -6.572 -4.654
267 HD1 TYR 46 HD1 TYR 46 -14.695 -7.316 -5.880
268 HD2 TYR 46 HD2 TYR 46 -12.669 -3.700 -6.838
269 HE1 TYR 46 HE1 TYR 46 -15.828 -7.267 -8.062
270 HE2 TYR 46 HE2 TYR 46 -13.797 -3.640 -9.021
271 HH TYR 46 HH TYR 46 -15.268 -6.196 -10.404
272 H LYS 47 HN LYS 47 -13.564 -7.273 -2.584
273 HA LYS 47 HA LYS 47 -11.942 -6.229 -0.363
274 HB2 LYS 47 HB2 LYS 47 -13.165 -7.497 1.244
275 HB3 LYS 47 HB1 LYS 47 -14.340 -6.595 0.297
276 HG2 LYS 47 HG2 LYS 47 -15.354 -8.450 -0.385
277 HG3 LYS 47 HG1 LYS 47 -13.827 -9.217 -0.823
278 HD2 LYS 47 HD2 LYS 47 -14.434 -10.616 0.863
279 HD3 LYS 47 HD1 LYS 47 -13.615 -9.386 1.828
280 HE2 LYS 47 HE2 LYS 47 -16.395 -8.719 1.348
281 HE3 LYS 47 HE1 LYS 47 -16.222 -10.283 2.144
282 HZ1 LYS 47 HZ1 LYS 47 -14.569 -8.935 3.632
283 HZ2 LYS 47 HZ2 LYS 47 -16.233 -8.890 3.932
284 HZ3 LYS 47 HZ3 LYS 47 -15.488 -7.614 3.109
285 H CYS 48 HN CYS 48 -10.556 -7.753 0.656
286 HA CYS 48 HA CYS 48 -9.506 -9.702 -1.211
287 HB2 CYS 48 HB2 CYS 48 -8.242 -9.685 1.411
288 HB3 CYS 48 HB1 CYS 48 -7.545 -9.358 -0.172
289 H GLY 49 HN GLY 49 -9.187 -11.917 -0.754
290 HA2 GLY 49 HA2 GLY 49 -10.740 -12.993 1.504
291 HA3 GLY 49 HA1 GLY 49 -11.062 -13.574 -0.123
292 HA PRO 50 HA PRO 50 -7.742 -16.183 2.039
293 HB2 PRO 50 HB2 PRO 50 -9.558 -18.366 1.220
294 HB3 PRO 50 HB1 PRO 50 -8.764 -18.089 2.773
295 HG2 PRO 50 HG2 PRO 50 -11.393 -17.705 2.473
296 HG3 PRO 50 HG1 PRO 50 -10.417 -16.649 3.512
297 HD2 PRO 50 HD2 PRO 50 -11.448 -16.157 0.744
298 HD3 PRO 50 HD1 PRO 50 -11.366 -15.047 2.128
299 H GLY 51 HN GLY 51 -6.136 -16.156 0.571
300 HA2 GLY 51 HA2 GLY 51 -5.064 -17.596 -1.101
301 HA3 GLY 51 HA1 GLY 51 -6.597 -17.613 -1.958
302 H GLY 52 HN GLY 52 -5.688 -14.601 -0.588
303 HA2 GLY 52 HA2 GLY 52 -5.058 -12.608 -1.531
304 HA3 GLY 52 HA1 GLY 52 -4.016 -13.561 -2.576
305 H THR 53 HN THR 53 -7.551 -13.599 -2.372
306 HA THR 53 HA THR 53 -7.630 -12.842 -5.215
307 HB THR 53 HB THR 53 -9.935 -13.862 -5.178
308 HG1 THR 53 HG1 THR 53 -9.038 -14.889 -2.672
309 HG21 THR 53 HG21 THR 53 -8.583 -15.363 -6.193
310 HG22 THR 53 HG22 THR 53 -8.815 -16.278 -4.705
311 HG23 THR 53 HG23 THR 53 -7.369 -15.290 -4.916
312 H CYS 54 HN CYS 54 -10.111 -12.023 -5.628
313 HA CYS 54 HA CYS 54 -10.797 -10.012 -3.624
314 HB2 CYS 54 HB2 CYS 54 -9.883 -9.448 -6.421
315 HB3 CYS 54 HB1 CYS 54 -11.062 -8.384 -5.659
316 H ILE 55 HN ILE 55 -12.912 -9.858 -3.343
317 HA ILE 55 HA ILE 55 -14.714 -10.696 -5.514
318 HB ILE 55 HB ILE 55 -16.188 -11.551 -3.500
319 HG12 ILE 55 HG12 ILE 55 -13.469 -12.268 -2.438
320 HG13 ILE 55 HG11 ILE 55 -14.269 -10.788 -1.920
321 HG21 ILE 55 HG21 ILE 55 -15.892 -13.464 -4.584
322 HG22 ILE 55 HG22 ILE 55 -14.266 -13.630 -3.921
323 HG23 ILE 55 HG23 ILE 55 -14.520 -12.740 -5.423
324 HD11 ILE 55 HD11 ILE 55 -14.792 -12.376 -0.290
325 HD12 ILE 55 HD12 ILE 55 -15.127 -13.625 -1.490
326 HD13 ILE 55 HD13 ILE 55 -16.239 -12.270 -1.294
327 H SER 56 HN SER 56 -17.115 -10.202 -4.643
328 HA SER 56 HA SER 56 -17.264 -7.730 -3.146
329 HB2 SER 56 HB2 SER 56 -16.898 -6.599 -5.135
330 HB3 SER 56 HB1 SER 56 -17.655 -7.857 -6.112
331 HG SER 56 HG SER 56 -18.831 -5.767 -5.712
Start of MODEL 14
1 H1 ASP 1 HT1 ASP 1 4.586 15.150 -4.897
2 H2 ASP 1 HT2 ASP 1 6.151 14.793 -4.364
3 H3 ASP 1 HT3 ASP 1 5.152 15.799 -3.442
4 HA ASP 1 HA ASP 1 4.735 12.912 -3.970
5 HB2 ASP 1 HB2 ASP 1 4.888 13.179 -1.282
6 HB3 ASP 1 HB1 ASP 1 6.281 12.835 -2.303
7 H VAL 2 HN VAL 2 3.227 12.284 -1.851
8 HA VAL 2 HA VAL 2 0.785 13.842 -2.300
9 HB VAL 2 HB VAL 2 1.099 10.979 -1.398
10 HG11 VAL 2 HG11 VAL 2 -1.549 11.396 -2.087
11 HG12 VAL 2 HG12 VAL 2 -1.131 12.825 -1.143
12 HG13 VAL 2 HG13 VAL 2 -0.914 11.216 -0.453
13 HG21 VAL 2 HG21 VAL 2 -0.492 11.275 -3.719
14 HG22 VAL 2 HG22 VAL 2 1.076 10.483 -3.556
15 HG23 VAL 2 HG23 VAL 2 0.990 12.198 -3.962
16 H GLN 3 HN GLN 3 1.039 11.649 0.366
17 HA GLN 3 HA GLN 3 1.956 13.064 2.472
18 HB2 GLN 3 HB2 GLN 3 -0.443 14.321 1.486
19 HB3 GLN 3 HB1 GLN 3 -0.729 13.690 3.102
20 HG2 GLN 3 HG2 GLN 3 1.755 14.932 3.252
21 HG3 GLN 3 HG1 GLN 3 0.765 16.007 2.266
22 HE21 GLN 3 HE21 GLN 3 0.983 14.357 5.352
23 HE22 GLN 3 HE22 GLN 3 -0.069 15.424 6.212
24 H CYS 4 HN CYS 4 2.117 10.589 2.335
25 HA CYS 4 HA CYS 4 0.076 8.842 2.859
26 HB2 CYS 4 HB2 CYS 4 2.889 8.694 3.965
27 HB3 CYS 4 HB1 CYS 4 1.759 7.350 3.859
28 H GLY 5 HN GLY 5 1.909 10.727 5.236
29 HA2 GLY 5 HA2 GLY 5 0.750 11.597 7.177
30 HA3 GLY 5 HA1 GLY 5 -0.236 10.141 7.175
31 H GLY 6 HN GLY 6 3.221 10.945 7.192
32 HA2 GLY 6 HA2 GLY 6 3.862 10.078 9.724
33 HA3 GLY 6 HA1 GLY 6 3.930 8.639 8.713
34 H GLY 7 HN GLY 7 5.607 8.375 7.266
35 HA2 GLY 7 HA2 GLY 7 7.564 10.571 7.123
36 HA3 GLY 7 HA1 GLY 7 8.084 8.955 7.574
37 H PHE 8 HN PHE 8 5.716 8.325 5.442
38 HA PHE 8 HA PHE 8 7.653 8.039 3.277
39 HB2 PHE 8 HB2 PHE 8 5.253 6.616 4.132
40 HB3 PHE 8 HB1 PHE 8 5.318 6.878 2.395
41 HD1 PHE 8 HD1 PHE 8 7.277 5.532 5.243
42 HD2 PHE 8 HD2 PHE 8 6.640 5.531 1.036
43 HE1 PHE 8 HE1 PHE 8 8.832 3.638 5.013
44 HE2 PHE 8 HE2 PHE 8 8.193 3.637 0.797
45 HZ PHE 8 HZ PHE 8 9.291 2.688 2.788
46 H SER 9 HN SER 9 6.313 7.995 1.053
47 HA SER 9 HA SER 9 4.438 10.077 0.621
48 HB2 SER 9 HB2 SER 9 7.349 10.673 0.215
49 HB3 SER 9 HB1 SER 9 6.170 11.363 -0.900
50 HG SER 9 HG SER 9 6.806 12.177 1.558
51 H CYS 10 HN CYS 10 3.794 10.192 -1.627
52 HA CYS 10 HA CYS 10 5.065 8.319 -3.447
53 HB2 CYS 10 HB2 CYS 10 3.047 7.348 -1.921
54 HB3 CYS 10 HB1 CYS 10 2.150 7.934 -3.318
55 H HIS 11 HN HIS 11 3.335 8.199 -5.484
56 HA HIS 11 HA HIS 11 3.464 10.892 -6.503
57 HB2 HIS 11 HB2 HIS 11 2.757 8.255 -7.771
58 HB3 HIS 11 HB1 HIS 11 2.730 9.782 -8.648
59 HD1 HIS 11 HD1 HIS 11 5.164 11.120 -8.466
60 HD2 HIS 11 HD2 HIS 11 5.145 6.999 -7.926
61 HE1 HIS 11 HE1 HIS 11 7.537 10.381 -8.848
62 HE2 HIS 11 HE2 HIS 11 7.505 7.884 -8.511
63 H ASP 12 HN ASP 12 1.854 12.007 -7.535
64 HA ASP 12 HA ASP 12 -0.574 12.289 -6.203
65 HB2 ASP 12 HB2 ASP 12 0.717 13.768 -8.051
66 HB3 ASP 12 HB1 ASP 12 -0.535 13.063 -9.068
67 H GLY 13 HN GLY 13 -2.656 11.575 -6.573
68 HA2 GLY 13 HA2 GLY 13 -4.363 10.375 -7.630
69 HA3 GLY 13 HA1 GLY 13 -3.203 9.830 -8.832
70 H GLU 14 HN GLU 14 -1.624 9.310 -6.091
71 HA GLU 14 HA GLU 14 -2.575 6.526 -5.936
72 HB2 GLU 14 HB2 GLU 14 -0.439 5.881 -5.653
73 HB3 GLU 14 HB1 GLU 14 -0.032 7.488 -6.230
74 HG2 GLU 14 HG2 GLU 14 1.134 7.671 -4.352
75 HG3 GLU 14 HG1 GLU 14 -0.423 7.915 -3.563
76 H THR 15 HN THR 15 -2.296 5.506 -3.684
77 HA THR 15 HA THR 15 -3.075 7.379 -1.564
78 HB THR 15 HB THR 15 -4.422 4.723 -2.112
79 HG1 THR 15 HG1 THR 15 -4.923 6.722 -3.442
80 HG21 THR 15 HG21 THR 15 -4.224 6.315 0.265
81 HG22 THR 15 HG22 THR 15 -5.069 4.787 0.021
82 HG23 THR 15 HG23 THR 15 -5.894 6.311 -0.302
83 H CYS 16 HN CYS 16 -2.135 6.964 0.389
84 HA CYS 16 HA CYS 16 -0.165 4.822 0.445
85 HB2 CYS 16 HB2 CYS 16 -0.646 7.082 2.383
86 HB3 CYS 16 HB1 CYS 16 0.709 5.955 2.435
87 H CYS 17 HN CYS 17 -0.322 3.029 1.620
88 HA CYS 17 HA CYS 17 -2.562 2.810 3.514
89 HB2 CYS 17 HB2 CYS 17 -3.183 0.861 2.591
90 HB3 CYS 17 HB1 CYS 17 -2.172 1.322 1.229
91 HA PRO 18 HA PRO 18 0.747 1.985 6.387
92 HB2 PRO 18 HB2 PRO 18 -0.680 2.164 8.630
93 HB3 PRO 18 HB1 PRO 18 -0.398 3.591 7.626
94 HG2 PRO 18 HG2 PRO 18 -2.842 1.892 7.860
95 HG3 PRO 18 HG1 PRO 18 -2.710 3.650 7.676
96 HD2 PRO 18 HD2 PRO 18 -3.226 1.826 5.619
97 HD3 PRO 18 HD1 PRO 18 -2.686 3.500 5.408
98 H THR 19 HN THR 19 0.288 -0.308 5.155
99 HA THR 19 HA THR 19 -1.052 -2.278 6.724
100 HB THR 19 HB THR 19 -0.723 -2.475 4.264
101 HG1 THR 19 HG1 THR 19 -0.941 -4.550 4.596
102 HG21 THR 19 HG21 THR 19 1.376 -3.084 3.326
103 HG22 THR 19 HG22 THR 19 2.110 -3.270 4.920
104 HG23 THR 19 HG23 THR 19 1.672 -1.666 4.333
105 H SER 20 HN SER 20 1.592 -0.624 7.510
106 HA SER 20 HA SER 20 2.653 -2.824 9.114
107 HB2 SER 20 HB2 SER 20 4.322 -1.026 7.342
108 HB3 SER 20 HB1 SER 20 4.994 -2.037 8.622
109 HG SER 20 HG SER 20 3.400 -3.541 7.114
110 H GLN 21 HN GLN 21 4.505 -1.753 10.584
111 HA GLN 21 HA GLN 21 3.156 0.468 11.929
112 HB2 GLN 21 HB2 GLN 21 5.476 -0.480 13.343
113 HB3 GLN 21 HB1 GLN 21 3.789 -0.510 13.835
114 HG2 GLN 21 HG2 GLN 21 3.455 -2.652 13.029
115 HG3 GLN 21 HG1 GLN 21 4.842 -2.566 11.942
116 HE21 GLN 21 HE21 GLN 21 6.981 -2.292 13.094
117 HE22 GLN 21 HE22 GLN 21 7.228 -3.255 14.507
118 H THR 22 HN THR 22 6.127 -0.358 10.298
119 HA THR 22 HA THR 22 7.000 2.442 10.579
120 HB THR 22 HB THR 22 9.368 1.413 10.214
121 HG1 THR 22 HG1 THR 22 7.783 -0.805 10.708
122 HG21 THR 22 HG21 THR 22 8.845 2.584 12.225
123 HG22 THR 22 HG22 THR 22 9.583 1.052 12.695
124 HG23 THR 22 HG23 THR 22 7.835 1.261 12.806
125 H THR 23 HN THR 23 5.724 0.363 8.467
126 HA THR 23 HA THR 23 7.235 1.497 6.206
127 HB THR 23 HB THR 23 5.899 -1.021 5.584
128 HG1 THR 23 HG1 THR 23 6.939 -2.313 6.949
129 HG21 THR 23 HG21 THR 23 8.754 -1.012 5.256
130 HG22 THR 23 HG22 THR 23 8.079 0.519 4.696
131 HG23 THR 23 HG23 THR 23 7.493 -1.003 4.023
132 H TRP 24 HN TRP 24 6.096 2.223 4.470
133 HA TRP 24 HA TRP 24 3.149 2.198 4.693
134 HB2 TRP 24 HB2 TRP 24 5.091 4.367 4.041
135 HB3 TRP 24 HB1 TRP 24 3.560 4.367 3.179
136 HD1 TRP 24 HD1 TRP 24 5.092 5.158 6.536
137 HE1 TRP 24 HE1 TRP 24 3.302 6.209 8.060
138 HE3 TRP 24 HE3 TRP 24 0.978 4.280 3.661
139 HZ2 TRP 24 HZ2 TRP 24 0.507 6.606 8.040
140 HZ3 TRP 24 HZ3 TRP 24 -1.224 5.019 4.479
141 HH2 TRP 24 HH2 TRP 24 -1.449 6.163 6.622
142 H GLY 25 HN GLY 25 2.112 1.258 3.028
143 HA2 GLY 25 HA2 GLY 25 3.658 0.545 0.646
144 HA3 GLY 25 HA1 GLY 25 2.104 -0.129 1.108
145 H CYS 26 HN CYS 26 3.183 1.194 -1.403
146 HA CYS 26 HA CYS 26 1.385 3.483 -1.621
147 HB2 CYS 26 HB2 CYS 26 3.671 2.449 -3.247
148 HB3 CYS 26 HB1 CYS 26 2.476 3.485 -4.020
149 H CYS 27 HN CYS 27 -0.568 3.328 -2.445
150 HA CYS 27 HA CYS 27 -1.257 0.960 -4.055
151 HB2 CYS 27 HB2 CYS 27 -2.849 2.611 -2.107
152 HB3 CYS 27 HB1 CYS 27 -3.653 1.615 -3.315
153 HA PRO 28 HA PRO 28 -2.149 3.758 -7.377
154 HB2 PRO 28 HB2 PRO 28 -3.510 2.139 -9.020
155 HB3 PRO 28 HB1 PRO 28 -1.794 1.882 -8.680
156 HG2 PRO 28 HG2 PRO 28 -4.181 0.480 -7.550
157 HG3 PRO 28 HG1 PRO 28 -2.627 -0.196 -8.066
158 HD2 PRO 28 HD2 PRO 28 -3.300 0.351 -5.449
159 HD3 PRO 28 HD1 PRO 28 -1.637 0.253 -6.057
160 H SER 29 HN SER 29 -5.009 1.721 -6.692
161 HA SER 29 HA SER 29 -6.919 3.527 -7.607
162 HB2 SER 29 HB2 SER 29 -7.212 1.415 -5.459
163 HB3 SER 29 HB1 SER 29 -8.543 2.198 -6.311
164 HG SER 29 HG SER 29 -8.282 0.752 -7.797
165 HA PRO 30 HA PRO 30 -7.232 6.737 -4.614
166 HB2 PRO 30 HB2 PRO 30 -10.173 6.557 -4.824
167 HB3 PRO 30 HB1 PRO 30 -9.099 7.907 -5.202
168 HG2 PRO 30 HG2 PRO 30 -10.301 6.492 -7.134
169 HG3 PRO 30 HG1 PRO 30 -8.658 7.131 -7.333
170 HD2 PRO 30 HD2 PRO 30 -9.547 4.346 -6.696
171 HD3 PRO 30 HD1 PRO 30 -8.240 4.896 -7.766
172 H LYS 31 HN LYS 31 -10.401 5.611 -3.774
173 HA LYS 31 HA LYS 31 -9.613 5.295 -1.029
174 HB2 LYS 31 HB2 LYS 31 -12.208 5.203 -2.518
175 HB3 LYS 31 HB1 LYS 31 -12.128 4.587 -0.873
176 HG2 LYS 31 HG2 LYS 31 -10.994 6.907 -0.400
177 HG3 LYS 31 HG1 LYS 31 -11.848 7.372 -1.873
178 HD2 LYS 31 HD2 LYS 31 -13.959 6.733 -0.915
179 HD3 LYS 31 HD1 LYS 31 -13.157 6.065 0.508
180 HE2 LYS 31 HE2 LYS 31 -12.472 8.223 1.235
181 HE3 LYS 31 HE1 LYS 31 -12.951 8.958 -0.295
182 HZ1 LYS 31 HZ1 LYS 31 -14.822 7.706 1.643
183 HZ2 LYS 31 HZ2 LYS 31 -15.246 8.512 0.217
184 HZ3 LYS 31 HZ3 LYS 31 -14.550 9.370 1.498
185 H ALA 32 HN ALA 32 -8.387 3.389 -2.758
186 HA ALA 32 HA ALA 32 -9.634 0.875 -2.762
187 HB1 ALA 32 HB1 ALA 32 -6.689 1.000 -2.467
188 HB2 ALA 32 HB2 ALA 32 -7.403 1.800 -3.868
189 HB3 ALA 32 HB3 ALA 32 -7.681 0.080 -3.599
190 H VAL 33 HN VAL 33 -8.988 -1.022 -1.480
191 HA VAL 33 HA VAL 33 -8.609 -0.316 1.349
192 HB VAL 33 HB VAL 33 -9.581 -3.010 0.488
193 HG11 VAL 33 HG11 VAL 33 -9.668 -1.299 2.909
194 HG12 VAL 33 HG12 VAL 33 -9.380 -3.032 2.754
195 HG13 VAL 33 HG13 VAL 33 -11.021 -2.396 2.634
196 HG21 VAL 33 HG21 VAL 33 -10.973 -0.497 -0.011
197 HG22 VAL 33 HG22 VAL 33 -11.909 -1.630 0.966
198 HG23 VAL 33 HG23 VAL 33 -11.308 -2.120 -0.618
199 H CYS 34 HN CYS 34 -6.545 -0.584 1.949
200 HA CYS 34 HA CYS 34 -4.708 -2.215 0.553
201 HB2 CYS 34 HB2 CYS 34 -3.928 -0.277 1.734
202 HB3 CYS 34 HB1 CYS 34 -4.543 -0.890 3.265
203 H CYS 35 HN CYS 35 -4.910 -4.358 0.495
204 HA CYS 35 HA CYS 35 -6.154 -5.985 2.380
205 HB2 CYS 35 HB2 CYS 35 -3.946 -6.656 0.423
206 HB3 CYS 35 HB1 CYS 35 -4.853 -7.857 1.335
207 H ASP 36 HN ASP 36 -5.653 -6.075 4.437
208 HA ASP 36 HA ASP 36 -2.886 -5.795 5.307
209 HB2 ASP 36 HB2 ASP 36 -5.450 -5.102 6.398
210 HB3 ASP 36 HB1 ASP 36 -4.574 -6.113 7.544
211 H ASP 37 HN ASP 37 -5.110 -8.326 4.716
212 HA ASP 37 HA ASP 37 -4.569 -10.143 6.731
213 HB2 ASP 37 HB2 ASP 37 -5.792 -10.196 4.174
214 HB3 ASP 37 HB1 ASP 37 -4.628 -11.517 4.208
215 H MET 38 HN MET 38 -2.744 -9.379 3.824
216 HA MET 38 HA MET 38 -0.403 -10.699 5.001
217 HB2 MET 38 HB2 MET 38 -0.904 -10.797 2.038
218 HB3 MET 38 HB1 MET 38 0.200 -11.771 2.999
219 HG2 MET 38 HG2 MET 38 -1.375 -13.276 3.529
220 HG3 MET 38 HG1 MET 38 -2.637 -12.055 3.692
221 HE1 MET 38 HE1 MET 38 -4.629 -12.681 2.472
222 HE2 MET 38 HE2 MET 38 -4.719 -12.548 0.716
223 HE3 MET 38 HE3 MET 38 -4.145 -11.183 1.675
224 H GLN 39 HN GLN 39 -0.492 -9.319 1.783
225 HA GLN 39 HA GLN 39 0.377 -6.718 2.618
226 HB2 GLN 39 HB2 GLN 39 2.364 -8.661 2.298
227 HB3 GLN 39 HB1 GLN 39 2.396 -7.741 0.800
228 HG2 GLN 39 HG2 GLN 39 3.475 -6.086 1.788
229 HG3 GLN 39 HG1 GLN 39 2.215 -5.945 3.014
230 HE21 GLN 39 HE21 GLN 39 3.205 -5.841 4.902
231 HE22 GLN 39 HE22 GLN 39 4.439 -6.915 5.459
232 H HIS 40 HN HIS 40 -1.588 -6.264 1.348
233 HA HIS 40 HA HIS 40 -0.905 -5.926 -1.458
234 HB2 HIS 40 HB2 HIS 40 -2.079 -8.282 -0.848
235 HB3 HIS 40 HB1 HIS 40 -3.502 -7.293 -1.154
236 HD1 HIS 40 HD1 HIS 40 -4.234 -7.322 -3.504
237 HD2 HIS 40 HD2 HIS 40 -0.149 -8.000 -3.165
238 HE1 HIS 40 HE1 HIS 40 -3.424 -7.727 -5.850
239 HE2 HIS 40 HE2 HIS 40 -0.949 -8.141 -5.621
240 H CYS 41 HN CYS 41 -3.136 -5.303 -2.651
241 HA CYS 41 HA CYS 41 -4.644 -3.397 -1.033
242 HB2 CYS 41 HB2 CYS 41 -2.530 -2.431 -2.346
243 HB3 CYS 41 HB1 CYS 41 -3.670 -2.445 -3.688
244 H CYS 42 HN CYS 42 -6.704 -2.957 -1.855
245 HA CYS 42 HA CYS 42 -7.486 -4.510 -4.232
246 HB2 CYS 42 HB2 CYS 42 -8.521 -4.607 -1.499
247 HB3 CYS 42 HB1 CYS 42 -9.783 -4.348 -2.699
248 HA PRO 43 HA PRO 43 -8.657 -0.545 -5.902
249 HB2 PRO 43 HB2 PRO 43 -10.595 -2.336 -7.320
250 HB3 PRO 43 HB1 PRO 43 -9.582 -1.037 -7.968
251 HG2 PRO 43 HG2 PRO 43 -8.837 -3.540 -8.320
252 HG3 PRO 43 HG1 PRO 43 -7.636 -2.322 -7.843
253 HD2 PRO 43 HD2 PRO 43 -8.951 -4.435 -6.185
254 HD3 PRO 43 HD1 PRO 43 -7.276 -3.846 -6.142
255 H ALA 44 HN ALA 44 -9.945 0.910 -5.075
256 HA ALA 44 HA ALA 44 -11.782 0.658 -3.123
257 HB1 ALA 44 HB1 ALA 44 -11.803 2.669 -5.367
258 HB2 ALA 44 HB2 ALA 44 -11.018 2.823 -3.795
259 HB3 ALA 44 HB3 ALA 44 -12.778 2.807 -3.903
260 H GLY 45 HN GLY 45 -13.489 -0.620 -2.977
261 HA2 GLY 45 HA2 GLY 45 -15.866 -0.759 -3.616
262 HA3 GLY 45 HA1 GLY 45 -15.325 -0.743 -5.287
263 H TYR 46 HN TYR 46 -13.072 -2.587 -3.777
264 HA TYR 46 HA TYR 46 -14.646 -5.046 -4.178
265 HB2 TYR 46 HB2 TYR 46 -11.800 -4.409 -4.936
266 HB3 TYR 46 HB1 TYR 46 -12.358 -6.068 -4.761
267 HD1 TYR 46 HD1 TYR 46 -11.242 -4.798 -7.284
268 HD2 TYR 46 HD2 TYR 46 -15.229 -5.263 -5.871
269 HE1 TYR 46 HE1 TYR 46 -12.062 -4.765 -9.601
270 HE2 TYR 46 HE2 TYR 46 -16.058 -5.232 -8.184
271 HH TYR 46 HH TYR 46 -15.390 -4.479 -10.371
272 H LYS 47 HN LYS 47 -13.667 -6.967 -3.030
273 HA LYS 47 HA LYS 47 -12.629 -6.140 -0.396
274 HB2 LYS 47 HB2 LYS 47 -14.967 -6.931 -0.299
275 HB3 LYS 47 HB1 LYS 47 -14.473 -8.456 -1.021
276 HG2 LYS 47 HG2 LYS 47 -12.881 -7.879 1.303
277 HG3 LYS 47 HG1 LYS 47 -14.601 -7.823 1.690
278 HD2 LYS 47 HD2 LYS 47 -13.440 -10.088 0.106
279 HD3 LYS 47 HD1 LYS 47 -13.372 -10.081 1.869
280 HE2 LYS 47 HE2 LYS 47 -15.757 -10.208 0.066
281 HE3 LYS 47 HE1 LYS 47 -15.325 -11.257 1.415
282 HZ1 LYS 47 HZ1 LYS 47 -16.967 -10.001 2.350
283 HZ2 LYS 47 HZ2 LYS 47 -16.602 -8.616 1.449
284 HZ3 LYS 47 HZ3 LYS 47 -15.627 -9.052 2.760
285 H CYS 48 HN CYS 48 -11.094 -7.496 0.609
286 HA CYS 48 HA CYS 48 -9.545 -9.090 -1.273
287 HB2 CYS 48 HB2 CYS 48 -8.746 -7.305 0.584
288 HB3 CYS 48 HB1 CYS 48 -8.636 -8.783 1.533
289 H GLY 49 HN GLY 49 -9.691 -11.235 -1.361
290 HA2 GLY 49 HA2 GLY 49 -11.240 -12.650 0.643
291 HA3 GLY 49 HA1 GLY 49 -10.614 -13.317 -0.857
292 HA PRO 50 HA PRO 50 -7.990 -14.611 2.878
293 HB2 PRO 50 HB2 PRO 50 -9.009 -17.315 2.480
294 HB3 PRO 50 HB1 PRO 50 -9.017 -16.326 3.942
295 HG2 PRO 50 HG2 PRO 50 -11.274 -16.940 2.573
296 HG3 PRO 50 HG1 PRO 50 -11.081 -15.434 3.489
297 HD2 PRO 50 HD2 PRO 50 -10.850 -15.906 0.541
298 HD3 PRO 50 HD1 PRO 50 -11.595 -14.548 1.411
299 H GLY 51 HN GLY 51 -8.177 -15.009 -0.356
300 HA2 GLY 51 HA2 GLY 51 -6.045 -17.025 -0.514
301 HA3 GLY 51 HA1 GLY 51 -7.027 -16.468 -1.859
302 H GLY 52 HN GLY 52 -6.738 -13.658 -1.327
303 HA2 GLY 52 HA2 GLY 52 -4.771 -12.160 -1.032
304 HA3 GLY 52 HA1 GLY 52 -3.876 -13.333 -1.986
305 H THR 53 HN THR 53 -7.147 -12.654 -2.857
306 HA THR 53 HA THR 53 -6.246 -10.864 -5.010
307 HB THR 53 HB THR 53 -6.996 -12.168 -6.672
308 HG1 THR 53 HG1 THR 53 -9.151 -13.313 -5.277
309 HG21 THR 53 HG21 THR 53 -7.580 -14.515 -4.985
310 HG22 THR 53 HG22 THR 53 -5.986 -13.795 -4.762
311 HG23 THR 53 HG23 THR 53 -6.488 -14.349 -6.360
312 H CYS 54 HN CYS 54 -8.140 -9.757 -6.086
313 HA CYS 54 HA CYS 54 -9.953 -8.822 -3.992
314 HB2 CYS 54 HB2 CYS 54 -9.259 -7.676 -6.703
315 HB3 CYS 54 HB1 CYS 54 -10.433 -6.963 -5.602
316 H ILE 55 HN ILE 55 -11.971 -9.510 -3.902
317 HA ILE 55 HA ILE 55 -13.292 -10.393 -6.380
318 HB ILE 55 HB ILE 55 -14.522 -12.080 -4.967
319 HG12 ILE 55 HG12 ILE 55 -12.286 -12.103 -3.026
320 HG13 ILE 55 HG11 ILE 55 -13.446 -10.793 -2.843
321 HG21 ILE 55 HG21 ILE 55 -13.103 -13.611 -5.755
322 HG22 ILE 55 HG22 ILE 55 -11.780 -13.021 -4.748
323 HG23 ILE 55 HG23 ILE 55 -12.120 -12.252 -6.299
324 HD11 ILE 55 HD11 ILE 55 -14.370 -12.376 -1.490
325 HD12 ILE 55 HD12 ILE 55 -13.815 -13.718 -2.492
326 HD13 ILE 55 HD13 ILE 55 -15.191 -12.741 -3.008
327 H SER 56 HN SER 56 -15.718 -10.508 -6.094
328 HA SER 56 HA SER 56 -16.880 -8.811 -4.077
329 HB2 SER 56 HB2 SER 56 -17.909 -7.289 -5.866
330 HB3 SER 56 HB1 SER 56 -16.210 -7.022 -5.475
331 HG SER 56 HG SER 56 -17.318 -8.304 -7.736
Start of MODEL 15
1 H1 ASP 1 HT1 ASP 1 2.811 16.552 -3.833
2 H2 ASP 1 HT2 ASP 1 4.480 16.329 -3.994
3 H3 ASP 1 HT3 ASP 1 3.813 16.649 -2.473
4 HA ASP 1 HA ASP 1 3.364 14.214 -4.101
5 HB2 ASP 1 HB2 ASP 1 4.548 13.170 -2.089
6 HB3 ASP 1 HB1 ASP 1 5.548 14.120 -3.186
7 H VAL 2 HN VAL 2 2.812 12.516 -2.059
8 HA VAL 2 HA VAL 2 0.374 13.651 -0.849
9 HB VAL 2 HB VAL 2 0.624 10.728 -1.467
10 HG11 VAL 2 HG11 VAL 2 -1.703 12.631 -1.223
11 HG12 VAL 2 HG12 VAL 2 -1.203 11.417 -0.044
12 HG13 VAL 2 HG13 VAL 2 -1.834 10.917 -1.614
13 HG21 VAL 2 HG21 VAL 2 1.134 11.919 -3.561
14 HG22 VAL 2 HG22 VAL 2 -0.380 12.812 -3.405
15 HG23 VAL 2 HG23 VAL 2 -0.407 11.065 -3.637
16 H GLN 3 HN GLN 3 0.658 13.866 1.269
17 HA GLN 3 HA GLN 3 2.634 12.553 2.777
18 HB2 GLN 3 HB2 GLN 3 0.111 13.890 3.770
19 HB3 GLN 3 HB1 GLN 3 1.537 13.529 4.732
20 HG2 GLN 3 HG2 GLN 3 2.844 15.114 3.541
21 HG3 GLN 3 HG1 GLN 3 1.579 15.340 2.334
22 HE21 GLN 3 HE21 GLN 3 2.883 17.318 4.002
23 HE22 GLN 3 HE22 GLN 3 1.635 18.083 4.921
24 H CYS 4 HN CYS 4 2.537 10.349 2.639
25 HA CYS 4 HA CYS 4 0.353 8.687 2.708
26 HB2 CYS 4 HB2 CYS 4 3.200 8.358 3.569
27 HB3 CYS 4 HB1 CYS 4 2.049 7.068 3.898
28 H GLY 5 HN GLY 5 2.015 10.186 5.421
29 HA2 GLY 5 HA2 GLY 5 0.144 10.553 7.221
30 HA3 GLY 5 HA1 GLY 5 0.257 8.801 7.312
31 H GLY 6 HN GLY 6 2.364 7.868 7.891
32 HA2 GLY 6 HA2 GLY 6 3.456 9.109 10.168
33 HA3 GLY 6 HA1 GLY 6 4.136 7.718 9.332
34 H GLY 7 HN GLY 7 5.222 8.336 7.156
35 HA2 GLY 7 HA2 GLY 7 6.335 10.980 7.013
36 HA3 GLY 7 HA1 GLY 7 7.481 9.804 7.631
37 H PHE 8 HN PHE 8 5.287 8.426 5.400
38 HA PHE 8 HA PHE 8 7.427 8.391 3.400
39 HB2 PHE 8 HB2 PHE 8 5.045 6.657 3.937
40 HB3 PHE 8 HB1 PHE 8 5.780 6.658 2.338
41 HD1 PHE 8 HD1 PHE 8 7.289 4.989 1.940
42 HD2 PHE 8 HD2 PHE 8 6.916 6.512 5.896
43 HE1 PHE 8 HE1 PHE 8 8.974 3.372 2.717
44 HE2 PHE 8 HE2 PHE 8 8.602 4.901 6.680
45 HZ PHE 8 HZ PHE 8 9.632 3.328 5.090
46 H SER 9 HN SER 9 6.399 8.140 1.053
47 HA SER 9 HA SER 9 4.144 9.835 0.535
48 HB2 SER 9 HB2 SER 9 5.178 11.702 -0.397
49 HB3 SER 9 HB1 SER 9 6.211 11.364 0.991
50 HG SER 9 HG SER 9 7.358 11.731 -1.004
51 H CYS 10 HN CYS 10 3.619 9.964 -1.741
52 HA CYS 10 HA CYS 10 5.082 8.211 -3.537
53 HB2 CYS 10 HB2 CYS 10 2.657 7.407 -2.191
54 HB3 CYS 10 HB1 CYS 10 2.425 7.435 -3.935
55 H HIS 11 HN HIS 11 3.372 8.056 -5.646
56 HA HIS 11 HA HIS 11 3.409 10.784 -6.577
57 HB2 HIS 11 HB2 HIS 11 2.715 8.199 -7.968
58 HB3 HIS 11 HB1 HIS 11 2.786 9.768 -8.765
59 HD1 HIS 11 HD1 HIS 11 5.022 10.500 -9.600
60 HD2 HIS 11 HD2 HIS 11 5.296 7.344 -6.913
61 HE1 HIS 11 HE1 HIS 11 7.437 9.801 -9.630
62 HE2 HIS 11 HE2 HIS 11 7.594 7.940 -7.940
63 H ASP 12 HN ASP 12 1.750 11.893 -7.537
64 HA ASP 12 HA ASP 12 -0.661 12.056 -6.191
65 HB2 ASP 12 HB2 ASP 12 -1.427 13.519 -7.958
66 HB3 ASP 12 HB1 ASP 12 0.284 13.824 -7.675
67 H GLY 13 HN GLY 13 -2.664 11.172 -6.406
68 HA2 GLY 13 HA2 GLY 13 -4.389 9.970 -7.458
69 HA3 GLY 13 HA1 GLY 13 -3.252 9.466 -8.699
70 H GLU 14 HN GLU 14 -1.600 8.947 -5.971
71 HA GLU 14 HA GLU 14 -2.291 6.107 -5.970
72 HB2 GLU 14 HB2 GLU 14 -0.233 5.719 -4.906
73 HB3 GLU 14 HB1 GLU 14 0.096 7.023 -6.040
74 HG2 GLU 14 HG2 GLU 14 1.134 7.837 -4.192
75 HG3 GLU 14 HG1 GLU 14 -0.469 8.531 -3.969
76 H THR 15 HN THR 15 -2.063 5.022 -3.728
77 HA THR 15 HA THR 15 -3.463 6.559 -1.657
78 HB THR 15 HB THR 15 -4.105 3.739 -2.564
79 HG1 THR 15 HG1 THR 15 -5.789 6.030 -2.361
80 HG21 THR 15 HG21 THR 15 -5.088 3.295 -0.602
81 HG22 THR 15 HG22 THR 15 -5.813 4.900 -0.505
82 HG23 THR 15 HG23 THR 15 -4.154 4.646 0.039
83 H CYS 16 HN CYS 16 -2.465 6.400 0.288
84 HA CYS 16 HA CYS 16 -0.191 4.594 0.494
85 HB2 CYS 16 HB2 CYS 16 -1.137 6.844 2.274
86 HB3 CYS 16 HB1 CYS 16 0.300 5.872 2.583
87 H CYS 17 HN CYS 17 -0.216 2.734 1.563
88 HA CYS 17 HA CYS 17 -2.354 2.297 3.546
89 HB2 CYS 17 HB2 CYS 17 -3.143 0.659 2.248
90 HB3 CYS 17 HB1 CYS 17 -1.822 0.867 1.110
91 HA PRO 18 HA PRO 18 1.199 1.278 6.069
92 HB2 PRO 18 HB2 PRO 18 -0.031 1.212 8.426
93 HB3 PRO 18 HB1 PRO 18 0.124 2.737 7.542
94 HG2 PRO 18 HG2 PRO 18 -2.238 0.911 7.761
95 HG3 PRO 18 HG1 PRO 18 -2.181 2.681 7.839
96 HD2 PRO 18 HD2 PRO 18 -2.843 1.219 5.582
97 HD3 PRO 18 HD1 PRO 18 -2.252 2.892 5.568
98 H THR 19 HN THR 19 1.750 -0.804 5.397
99 HA THR 19 HA THR 19 0.095 -3.050 6.211
100 HB THR 19 HB THR 19 1.126 -4.287 4.617
101 HG1 THR 19 HG1 THR 19 3.523 -3.403 4.141
102 HG21 THR 19 HG21 THR 19 2.346 -1.866 3.420
103 HG22 THR 19 HG22 THR 19 0.614 -1.807 3.752
104 HG23 THR 19 HG23 THR 19 1.270 -3.064 2.702
105 H SER 20 HN SER 20 2.331 -1.263 7.797
106 HA SER 20 HA SER 20 2.953 -3.469 9.576
107 HB2 SER 20 HB2 SER 20 4.805 -3.139 7.741
108 HB3 SER 20 HB1 SER 20 5.271 -1.762 8.742
109 HG SER 20 HG SER 20 5.190 -4.500 9.445
110 H GLN 21 HN GLN 21 4.943 -2.063 11.050
111 HA GLN 21 HA GLN 21 3.316 -0.516 12.749
112 HB2 GLN 21 HB2 GLN 21 6.077 0.192 13.105
113 HB3 GLN 21 HB1 GLN 21 5.037 -0.757 14.155
114 HG2 GLN 21 HG2 GLN 21 5.809 -2.748 13.360
115 HG3 GLN 21 HG1 GLN 21 6.200 -2.090 11.771
116 HE21 GLN 21 HE21 GLN 21 7.156 -1.652 15.163
117 HE22 GLN 21 HE22 GLN 21 8.852 -1.554 14.850
118 H THR 22 HN THR 22 5.654 0.370 10.252
119 HA THR 22 HA THR 22 4.464 3.046 10.183
120 HB THR 22 HB THR 22 6.410 3.532 11.417
121 HG1 THR 22 HG1 THR 22 6.094 4.564 9.138
122 HG21 THR 22 HG21 THR 22 8.494 2.552 11.191
123 HG22 THR 22 HG22 THR 22 8.226 2.129 9.499
124 HG23 THR 22 HG23 THR 22 7.423 1.214 10.775
125 H THR 23 HN THR 23 6.636 0.731 8.611
126 HA THR 23 HA THR 23 7.132 1.645 6.171
127 HB THR 23 HB THR 23 5.890 -1.080 6.584
128 HG1 THR 23 HG1 THR 23 7.611 -1.318 7.806
129 HG21 THR 23 HG21 THR 23 7.957 -0.284 4.546
130 HG22 THR 23 HG22 THR 23 6.227 -0.206 4.210
131 HG23 THR 23 HG23 THR 23 6.980 -1.751 4.603
132 H TRP 24 HN TRP 24 6.080 2.616 4.582
133 HA TRP 24 HA TRP 24 3.168 2.268 4.400
134 HB2 TRP 24 HB2 TRP 24 5.004 4.549 3.761
135 HB3 TRP 24 HB1 TRP 24 3.431 4.441 2.976
136 HD1 TRP 24 HD1 TRP 24 5.058 5.431 6.223
137 HE1 TRP 24 HE1 TRP 24 3.254 6.233 7.876
138 HE3 TRP 24 HE3 TRP 24 0.914 3.996 3.635
139 HZ2 TRP 24 HZ2 TRP 24 0.432 6.251 8.050
140 HZ3 TRP 24 HZ3 TRP 24 -1.303 4.432 4.603
141 HH2 TRP 24 HH2 TRP 24 -1.535 5.536 6.763
142 H GLY 25 HN GLY 25 2.215 1.548 2.579
143 HA2 GLY 25 HA2 GLY 25 3.997 0.850 0.336
144 HA3 GLY 25 HA1 GLY 25 2.555 -0.048 0.780
145 H CYS 26 HN CYS 26 3.385 1.213 -1.765
146 HA CYS 26 HA CYS 26 1.460 3.359 -2.149
147 HB2 CYS 26 HB2 CYS 26 3.916 2.912 -3.224
148 HB3 CYS 26 HB1 CYS 26 2.884 2.253 -4.489
149 H CYS 27 HN CYS 27 -0.579 2.808 -2.449
150 HA CYS 27 HA CYS 27 -1.211 0.405 -4.027
151 HB2 CYS 27 HB2 CYS 27 -2.866 1.829 -1.935
152 HB3 CYS 27 HB1 CYS 27 -3.367 0.395 -2.826
153 HA PRO 28 HA PRO 28 -3.247 3.063 -6.945
154 HB2 PRO 28 HB2 PRO 28 -4.644 1.268 -8.339
155 HB3 PRO 28 HB1 PRO 28 -2.876 1.250 -8.346
156 HG2 PRO 28 HG2 PRO 28 -4.785 -0.499 -6.860
157 HG3 PRO 28 HG1 PRO 28 -3.248 -0.918 -7.633
158 HD2 PRO 28 HD2 PRO 28 -3.615 -0.432 -4.913
159 HD3 PRO 28 HD1 PRO 28 -2.059 -0.410 -5.763
160 H SER 29 HN SER 29 -5.690 2.881 -8.067
161 HA SER 29 HA SER 29 -7.894 3.371 -7.826
162 HB2 SER 29 HB2 SER 29 -7.389 1.312 -5.838
163 HB3 SER 29 HB1 SER 29 -8.684 2.400 -5.336
164 HG SER 29 HG SER 29 -8.585 0.602 -7.444
165 HA PRO 30 HA PRO 30 -8.198 7.189 -5.662
166 HB2 PRO 30 HB2 PRO 30 -11.030 6.537 -5.073
167 HB3 PRO 30 HB1 PRO 30 -10.348 7.920 -5.934
168 HG2 PRO 30 HG2 PRO 30 -11.605 5.972 -7.252
169 HG3 PRO 30 HG1 PRO 30 -10.167 6.758 -7.930
170 HD2 PRO 30 HD2 PRO 30 -10.422 4.089 -6.602
171 HD3 PRO 30 HD1 PRO 30 -9.448 4.561 -8.012
172 H LYS 31 HN LYS 31 -10.335 4.854 -3.987
173 HA LYS 31 HA LYS 31 -9.388 5.873 -1.418
174 HB2 LYS 31 HB2 LYS 31 -11.624 3.968 -2.135
175 HB3 LYS 31 HB1 LYS 31 -11.191 4.396 -0.485
176 HG2 LYS 31 HG2 LYS 31 -12.388 6.256 -0.586
177 HG3 LYS 31 HG1 LYS 31 -11.569 6.767 -2.064
178 HD2 LYS 31 HD2 LYS 31 -13.540 4.605 -2.394
179 HD3 LYS 31 HD1 LYS 31 -14.206 6.165 -1.909
180 HE2 LYS 31 HE2 LYS 31 -13.410 7.233 -3.829
181 HE3 LYS 31 HE1 LYS 31 -12.258 5.945 -4.177
182 HZ1 LYS 31 HZ1 LYS 31 -14.771 6.243 -5.247
183 HZ2 LYS 31 HZ2 LYS 31 -14.925 4.961 -4.154
184 HZ3 LYS 31 HZ3 LYS 31 -13.767 4.887 -5.385
185 H ALA 32 HN ALA 32 -10.138 2.641 -2.680
186 HA ALA 32 HA ALA 32 -9.094 0.639 -2.535
187 HB1 ALA 32 HB1 ALA 32 -6.670 0.585 -2.564
188 HB2 ALA 32 HB2 ALA 32 -6.611 2.283 -2.088
189 HB3 ALA 32 HB3 ALA 32 -7.277 1.829 -3.656
190 H VAL 33 HN VAL 33 -9.106 -0.841 -1.000
191 HA VAL 33 HA VAL 33 -8.717 -0.008 1.783
192 HB VAL 33 HB VAL 33 -9.661 -2.735 0.947
193 HG11 VAL 33 HG11 VAL 33 -10.960 -1.512 3.211
194 HG12 VAL 33 HG12 VAL 33 -9.205 -1.475 3.394
195 HG13 VAL 33 HG13 VAL 33 -10.033 -3.009 3.121
196 HG21 VAL 33 HG21 VAL 33 -11.807 -0.864 1.550
197 HG22 VAL 33 HG22 VAL 33 -11.669 -2.049 0.251
198 HG23 VAL 33 HG23 VAL 33 -10.937 -0.455 0.071
199 H CYS 34 HN CYS 34 -6.841 -0.464 2.780
200 HA CYS 34 HA CYS 34 -4.817 -1.953 1.434
201 HB2 CYS 34 HB2 CYS 34 -4.138 -0.085 2.740
202 HB3 CYS 34 HB1 CYS 34 -4.943 -0.703 4.174
203 H CYS 35 HN CYS 35 -5.040 -4.082 1.246
204 HA CYS 35 HA CYS 35 -6.300 -5.813 3.060
205 HB2 CYS 35 HB2 CYS 35 -5.546 -6.208 0.589
206 HB3 CYS 35 HB1 CYS 35 -4.026 -6.718 1.315
207 H ASP 36 HN ASP 36 -5.725 -6.142 5.064
208 HA ASP 36 HA ASP 36 -2.929 -5.850 5.865
209 HB2 ASP 36 HB2 ASP 36 -5.543 -5.668 7.297
210 HB3 ASP 36 HB1 ASP 36 -4.091 -6.058 8.216
211 H ASP 37 HN ASP 37 -5.148 -8.362 5.196
212 HA ASP 37 HA ASP 37 -4.527 -10.278 7.106
213 HB2 ASP 37 HB2 ASP 37 -6.105 -10.284 4.938
214 HB3 ASP 37 HB1 ASP 37 -4.736 -11.171 4.274
215 H MET 38 HN MET 38 -2.831 -9.322 4.187
216 HA MET 38 HA MET 38 -0.440 -10.714 5.166
217 HB2 MET 38 HB2 MET 38 -1.745 -10.910 2.490
218 HB3 MET 38 HB1 MET 38 0.013 -10.910 2.547
219 HG2 MET 38 HG2 MET 38 -1.023 -12.719 4.511
220 HG3 MET 38 HG1 MET 38 -1.729 -13.071 2.935
221 HE1 MET 38 HE1 MET 38 1.389 -13.151 0.720
222 HE2 MET 38 HE2 MET 38 -0.318 -12.743 0.882
223 HE3 MET 38 HE3 MET 38 0.184 -14.433 0.833
224 H GLN 39 HN GLN 39 -0.550 -9.070 2.096
225 HA GLN 39 HA GLN 39 0.250 -6.524 3.144
226 HB2 GLN 39 HB2 GLN 39 2.411 -6.617 1.706
227 HB3 GLN 39 HB1 GLN 39 2.427 -7.350 3.305
228 HG2 GLN 39 HG2 GLN 39 1.591 -9.366 1.557
229 HG3 GLN 39 HG1 GLN 39 2.922 -8.543 0.745
230 HE21 GLN 39 HE21 GLN 39 4.943 -8.381 1.861
231 HE22 GLN 39 HE22 GLN 39 5.382 -9.568 3.039
232 H HIS 40 HN HIS 40 -1.709 -6.004 1.904
233 HA HIS 40 HA HIS 40 -1.035 -5.343 -0.829
234 HB2 HIS 40 HB2 HIS 40 -2.291 -7.842 -0.324
235 HB3 HIS 40 HB1 HIS 40 -3.458 -6.803 -1.134
236 HD1 HIS 40 HD1 HIS 40 -2.131 -9.320 -2.459
237 HD2 HIS 40 HD2 HIS 40 -0.903 -5.385 -2.991
238 HE1 HIS 40 HE1 HIS 40 -0.906 -9.288 -4.656
239 HE2 HIS 40 HE2 HIS 40 -0.219 -6.886 -4.983
240 H CYS 41 HN CYS 41 -3.336 -4.882 -2.010
241 HA CYS 41 HA CYS 41 -5.144 -3.419 -0.279
242 HB2 CYS 41 HB2 CYS 41 -4.516 -1.633 -2.405
243 HB3 CYS 41 HB1 CYS 41 -4.316 -1.382 -0.674
244 H CYS 42 HN CYS 42 -7.132 -2.929 -1.300
245 HA CYS 42 HA CYS 42 -7.519 -4.242 -3.906
246 HB2 CYS 42 HB2 CYS 42 -8.591 -5.112 -1.584
247 HB3 CYS 42 HB1 CYS 42 -9.841 -3.978 -2.084
248 HA PRO 43 HA PRO 43 -8.908 -0.509 -5.790
249 HB2 PRO 43 HB2 PRO 43 -11.328 -2.118 -6.503
250 HB3 PRO 43 HB1 PRO 43 -10.333 -1.072 -7.524
251 HG2 PRO 43 HG2 PRO 43 -10.061 -3.714 -7.632
252 HG3 PRO 43 HG1 PRO 43 -8.644 -2.651 -7.724
253 HD2 PRO 43 HD2 PRO 43 -9.582 -4.364 -5.484
254 HD3 PRO 43 HD1 PRO 43 -7.933 -3.881 -5.926
255 H ALA 44 HN ALA 44 -10.410 1.170 -5.572
256 HA ALA 44 HA ALA 44 -11.607 1.432 -3.035
257 HB1 ALA 44 HB1 ALA 44 -11.204 3.084 -5.372
258 HB2 ALA 44 HB2 ALA 44 -11.331 3.545 -3.675
259 HB3 ALA 44 HB3 ALA 44 -12.788 3.361 -4.650
260 H GLY 45 HN GLY 45 -13.130 -0.138 -2.631
261 HA2 GLY 45 HA2 GLY 45 -15.600 -0.198 -2.561
262 HA3 GLY 45 HA1 GLY 45 -15.560 -0.013 -4.308
263 H TYR 46 HN TYR 46 -13.059 -1.983 -3.230
264 HA TYR 46 HA TYR 46 -14.614 -4.397 -3.892
265 HB2 TYR 46 HB2 TYR 46 -11.747 -3.656 -4.455
266 HB3 TYR 46 HB1 TYR 46 -12.280 -5.331 -4.470
267 HD1 TYR 46 HD1 TYR 46 -12.093 -5.942 -6.709
268 HD2 TYR 46 HD2 TYR 46 -14.093 -2.321 -5.718
269 HE1 TYR 46 HE1 TYR 46 -12.806 -5.702 -9.050
270 HE2 TYR 46 HE2 TYR 46 -14.814 -2.072 -8.055
271 HH TYR 46 HH TYR 46 -13.926 -4.475 -10.518
272 H LYS 47 HN LYS 47 -13.503 -6.426 -2.969
273 HA LYS 47 HA LYS 47 -12.657 -5.888 -0.199
274 HB2 LYS 47 HB2 LYS 47 -15.024 -6.933 -0.717
275 HB3 LYS 47 HB1 LYS 47 -14.092 -8.410 -0.918
276 HG2 LYS 47 HG2 LYS 47 -13.335 -7.041 1.500
277 HG3 LYS 47 HG1 LYS 47 -15.072 -7.345 1.455
278 HD2 LYS 47 HD2 LYS 47 -13.178 -9.530 0.709
279 HD3 LYS 47 HD1 LYS 47 -13.434 -9.151 2.413
280 HE2 LYS 47 HE2 LYS 47 -15.715 -9.648 0.522
281 HE3 LYS 47 HE1 LYS 47 -14.906 -10.960 1.379
282 HZ1 LYS 47 HZ1 LYS 47 -16.925 -9.282 2.321
283 HZ2 LYS 47 HZ2 LYS 47 -15.531 -8.932 3.214
284 HZ3 LYS 47 HZ3 LYS 47 -16.121 -10.515 3.155
285 H CYS 48 HN CYS 48 -11.032 -7.193 0.663
286 HA CYS 48 HA CYS 48 -9.402 -8.556 -1.328
287 HB2 CYS 48 HB2 CYS 48 -8.503 -6.867 0.385
288 HB3 CYS 48 HB1 CYS 48 -8.707 -8.147 1.578
289 H GLY 49 HN GLY 49 -9.428 -10.693 -1.567
290 HA2 GLY 49 HA2 GLY 49 -10.932 -12.317 0.308
291 HA3 GLY 49 HA1 GLY 49 -10.248 -12.849 -1.220
292 HA PRO 50 HA PRO 50 -7.477 -14.102 2.408
293 HB2 PRO 50 HB2 PRO 50 -8.336 -16.592 2.960
294 HB3 PRO 50 HB1 PRO 50 -9.065 -15.168 3.710
295 HG2 PRO 50 HG2 PRO 50 -10.063 -16.842 1.453
296 HG3 PRO 50 HG1 PRO 50 -10.967 -16.084 2.773
297 HD2 PRO 50 HD2 PRO 50 -10.768 -15.075 0.203
298 HD3 PRO 50 HD1 PRO 50 -11.186 -14.116 1.635
299 H GLY 51 HN GLY 51 -6.242 -13.953 0.327
300 HA2 GLY 51 HA2 GLY 51 -4.561 -14.991 -0.909
301 HA3 GLY 51 HA1 GLY 51 -5.157 -16.560 -0.356
302 H GLY 52 HN GLY 52 -7.924 -15.818 -1.175
303 HA2 GLY 52 HA2 GLY 52 -8.042 -16.977 -3.682
304 HA3 GLY 52 HA1 GLY 52 -9.255 -15.854 -3.063
305 H THR 53 HN THR 53 -8.880 -13.547 -3.345
306 HA THR 53 HA THR 53 -6.853 -12.310 -4.619
307 HB THR 53 HB THR 53 -8.196 -12.006 -6.941
308 HG1 THR 53 HG1 THR 53 -9.650 -13.635 -6.813
309 HG21 THR 53 HG21 THR 53 -5.978 -12.354 -7.257
310 HG22 THR 53 HG22 THR 53 -6.491 -14.007 -7.602
311 HG23 THR 53 HG23 THR 53 -5.888 -13.587 -5.990
312 H CYS 54 HN CYS 54 -8.016 -10.312 -6.105
313 HA CYS 54 HA CYS 54 -9.664 -9.061 -4.067
314 HB2 CYS 54 HB2 CYS 54 -7.951 -8.154 -6.251
315 HB3 CYS 54 HB1 CYS 54 -9.471 -7.267 -6.175
316 H ILE 55 HN ILE 55 -11.800 -8.888 -4.137
317 HA ILE 55 HA ILE 55 -13.169 -9.593 -6.651
318 HB ILE 55 HB ILE 55 -15.107 -10.040 -4.891
319 HG12 ILE 55 HG12 ILE 55 -12.561 -10.538 -3.323
320 HG13 ILE 55 HG11 ILE 55 -13.800 -9.349 -2.937
321 HG21 ILE 55 HG21 ILE 55 -13.940 -12.439 -4.705
322 HG22 ILE 55 HG22 ILE 55 -12.933 -11.732 -5.969
323 HG23 ILE 55 HG23 ILE 55 -14.680 -11.846 -6.192
324 HD11 ILE 55 HD11 ILE 55 -13.628 -11.836 -1.861
325 HD12 ILE 55 HD12 ILE 55 -14.799 -12.090 -3.158
326 HD13 ILE 55 HD13 ILE 55 -15.098 -10.862 -1.929
327 H SER 56 HN SER 56 -15.154 -8.541 -7.142
328 HA SER 56 HA SER 56 -15.152 -5.751 -6.376
329 HB2 SER 56 HB2 SER 56 -17.056 -5.624 -8.053
330 HB3 SER 56 HB1 SER 56 -15.506 -6.164 -8.701
331 HG SER 56 HG SER 56 -16.690 -8.339 -7.930
Start of MODEL 16
1 H1 ASP 1 HT1 ASP 1 -1.895 14.690 -3.366
2 H2 ASP 1 HT2 ASP 1 -2.711 13.740 -4.504
3 H3 ASP 1 HT3 ASP 1 -1.756 15.038 -5.017
4 HA ASP 1 HA ASP 1 -0.541 13.065 -5.415
5 HB2 ASP 1 HB2 ASP 1 1.065 13.625 -3.150
6 HB3 ASP 1 HB1 ASP 1 1.288 14.184 -4.798
7 H VAL 2 HN VAL 2 -0.139 13.136 -2.056
8 HA VAL 2 HA VAL 2 -1.487 10.643 -1.566
9 HB VAL 2 HB VAL 2 1.479 10.798 -1.741
10 HG11 VAL 2 HG11 VAL 2 0.172 8.770 0.054
11 HG12 VAL 2 HG12 VAL 2 0.928 10.242 0.666
12 HG13 VAL 2 HG13 VAL 2 1.895 9.051 -0.204
13 HG21 VAL 2 HG21 VAL 2 0.054 8.268 -2.108
14 HG22 VAL 2 HG22 VAL 2 1.225 9.078 -3.149
15 HG23 VAL 2 HG23 VAL 2 -0.468 9.569 -3.177
16 H GLN 3 HN GLN 3 -1.302 9.980 0.786
17 HA GLN 3 HA GLN 3 -0.437 11.938 2.684
18 HB2 GLN 3 HB2 GLN 3 -3.276 11.825 1.865
19 HB3 GLN 3 HB1 GLN 3 -2.979 11.816 3.601
20 HG2 GLN 3 HG2 GLN 3 -1.473 13.846 3.139
21 HG3 GLN 3 HG1 GLN 3 -2.314 13.929 1.591
22 HE21 GLN 3 HE21 GLN 3 -3.591 12.988 4.742
23 HE22 GLN 3 HE22 GLN 3 -4.746 14.267 4.857
24 H CYS 4 HN CYS 4 0.673 9.815 2.967
25 HA CYS 4 HA CYS 4 -0.525 7.474 3.788
26 HB2 CYS 4 HB2 CYS 4 1.999 8.348 5.130
27 HB3 CYS 4 HB1 CYS 4 1.571 6.774 4.470
28 H GLY 5 HN GLY 5 0.810 9.944 5.976
29 HA2 GLY 5 HA2 GLY 5 -1.419 9.686 7.772
30 HA3 GLY 5 HA1 GLY 5 0.039 8.927 8.384
31 H GLY 6 HN GLY 6 1.843 10.811 7.177
32 HA2 GLY 6 HA2 GLY 6 1.532 13.452 7.552
33 HA3 GLY 6 HA1 GLY 6 1.666 12.870 9.204
34 H GLY 7 HN GLY 7 3.514 10.656 8.113
35 HA2 GLY 7 HA2 GLY 7 5.915 12.335 8.208
36 HA3 GLY 7 HA1 GLY 7 5.832 10.636 8.642
37 H PHE 8 HN PHE 8 4.547 9.582 6.354
38 HA PHE 8 HA PHE 8 6.713 9.980 4.405
39 HB2 PHE 8 HB2 PHE 8 4.858 7.678 4.957
40 HB3 PHE 8 HB1 PHE 8 5.764 7.785 3.452
41 HD1 PHE 8 HD1 PHE 8 7.735 6.631 3.367
42 HD2 PHE 8 HD2 PHE 8 6.408 8.150 7.115
43 HE1 PHE 8 HE1 PHE 8 9.690 5.619 4.466
44 HE2 PHE 8 HE2 PHE 8 8.360 7.142 8.221
45 HZ PHE 8 HZ PHE 8 10.005 5.874 6.896
46 H SER 9 HN SER 9 5.934 9.387 2.078
47 HA SER 9 HA SER 9 3.285 10.317 1.417
48 HB2 SER 9 HB2 SER 9 4.089 12.147 -0.069
49 HB3 SER 9 HB1 SER 9 4.402 12.466 1.639
50 HG SER 9 HG SER 9 6.289 12.913 0.642
51 H CYS 10 HN CYS 10 3.230 10.585 -1.128
52 HA CYS 10 HA CYS 10 5.019 8.800 -2.516
53 HB2 CYS 10 HB2 CYS 10 2.337 7.916 -1.681
54 HB3 CYS 10 HB1 CYS 10 2.694 7.662 -3.385
55 H HIS 11 HN HIS 11 3.793 8.452 -4.881
56 HA HIS 11 HA HIS 11 3.639 11.175 -5.831
57 HB2 HIS 11 HB2 HIS 11 4.355 8.622 -6.945
58 HB3 HIS 11 HB1 HIS 11 3.150 9.397 -7.968
59 HD1 HIS 11 HD1 HIS 11 4.013 12.304 -7.822
60 HD2 HIS 11 HD2 HIS 11 6.685 9.148 -8.233
61 HE1 HIS 11 HE1 HIS 11 6.079 13.302 -8.850
62 HE2 HIS 11 HE2 HIS 11 7.710 11.389 -9.017
63 H ASP 12 HN ASP 12 2.045 11.774 -7.467
64 HA ASP 12 HA ASP 12 -0.552 11.709 -6.422
65 HB2 ASP 12 HB2 ASP 12 -1.242 12.753 -8.561
66 HB3 ASP 12 HB1 ASP 12 0.183 13.522 -7.871
67 H GLY 13 HN GLY 13 -2.105 10.239 -6.518
68 HA2 GLY 13 HA2 GLY 13 -3.512 8.757 -7.765
69 HA3 GLY 13 HA1 GLY 13 -2.137 8.370 -8.785
70 H GLU 14 HN GLU 14 -0.498 8.146 -6.133
71 HA GLU 14 HA GLU 14 -1.090 5.321 -5.827
72 HB2 GLU 14 HB2 GLU 14 1.049 6.645 -4.236
73 HB3 GLU 14 HB1 GLU 14 1.044 5.072 -5.021
74 HG2 GLU 14 HG2 GLU 14 1.033 7.533 -6.697
75 HG3 GLU 14 HG1 GLU 14 2.530 7.018 -5.922
76 H THR 15 HN THR 15 -0.916 4.381 -3.578
77 HA THR 15 HA THR 15 -2.275 6.093 -1.603
78 HB THR 15 HB THR 15 -2.940 3.176 -1.971
79 HG1 THR 15 HG1 THR 15 -4.200 5.473 -3.091
80 HG21 THR 15 HG21 THR 15 -3.848 3.617 0.049
81 HG22 THR 15 HG22 THR 15 -5.119 4.390 -0.899
82 HG23 THR 15 HG23 THR 15 -3.821 5.362 -0.206
83 H CYS 16 HN CYS 16 -1.402 6.062 0.365
84 HA CYS 16 HA CYS 16 0.837 4.284 0.884
85 HB2 CYS 16 HB2 CYS 16 -0.172 6.832 1.975
86 HB3 CYS 16 HB1 CYS 16 0.588 5.761 3.150
87 H CYS 17 HN CYS 17 0.535 2.388 1.847
88 HA CYS 17 HA CYS 17 -1.664 2.129 3.777
89 HB2 CYS 17 HB2 CYS 17 -2.431 0.495 2.453
90 HB3 CYS 17 HB1 CYS 17 -0.989 0.541 1.451
91 HA PRO 18 HA PRO 18 1.758 1.177 6.479
92 HB2 PRO 18 HB2 PRO 18 0.419 1.170 8.787
93 HB3 PRO 18 HB1 PRO 18 0.639 2.669 7.875
94 HG2 PRO 18 HG2 PRO 18 -1.764 0.895 8.040
95 HG3 PRO 18 HG1 PRO 18 -1.675 2.665 8.054
96 HD2 PRO 18 HD2 PRO 18 -2.262 1.126 5.824
97 HD3 PRO 18 HD1 PRO 18 -1.645 2.790 5.777
98 H THR 19 HN THR 19 2.022 -0.959 5.518
99 HA THR 19 HA THR 19 0.494 -3.140 6.689
100 HB THR 19 HB THR 19 0.906 -3.320 4.329
101 HG1 THR 19 HG1 THR 19 2.777 -5.146 5.381
102 HG21 THR 19 HG21 THR 19 2.762 -2.080 3.775
103 HG22 THR 19 HG22 THR 19 3.428 -3.711 3.690
104 HG23 THR 19 HG23 THR 19 3.717 -2.713 5.115
105 H SER 20 HN SER 20 2.902 -1.366 7.848
106 HA SER 20 HA SER 20 3.985 -3.596 9.383
107 HB2 SER 20 HB2 SER 20 5.446 -2.339 7.310
108 HB3 SER 20 HB1 SER 20 6.133 -1.764 8.829
109 HG SER 20 HG SER 20 6.898 -3.865 7.836
110 H GLN 21 HN GLN 21 6.048 -1.277 10.120
111 HA GLN 21 HA GLN 21 4.320 0.457 11.667
112 HB2 GLN 21 HB2 GLN 21 4.604 -1.596 13.063
113 HB3 GLN 21 HB1 GLN 21 6.338 -1.305 13.066
114 HG2 GLN 21 HG2 GLN 21 5.450 -0.492 15.115
115 HG3 GLN 21 HG1 GLN 21 5.900 0.900 14.130
116 HE21 GLN 21 HE21 GLN 21 3.435 -0.631 15.862
117 HE22 GLN 21 HE22 GLN 21 2.136 0.419 15.423
118 H THR 22 HN THR 22 7.390 -0.443 10.386
119 HA THR 22 HA THR 22 8.523 2.152 11.186
120 HB THR 22 HB THR 22 10.260 0.914 11.869
121 HG1 THR 22 HG1 THR 22 11.597 1.310 10.286
122 HG21 THR 22 HG21 THR 22 8.740 -1.230 10.556
123 HG22 THR 22 HG22 THR 22 9.553 -1.210 12.120
124 HG23 THR 22 HG23 THR 22 10.477 -1.513 10.650
125 H THR 23 HN THR 23 7.076 0.653 8.612
126 HA THR 23 HA THR 23 8.290 2.560 6.749
127 HB THR 23 HB THR 23 8.204 0.759 4.953
128 HG1 THR 23 HG1 THR 23 8.411 -1.399 5.825
129 HG21 THR 23 HG21 THR 23 10.207 0.148 7.109
130 HG22 THR 23 HG22 THR 23 10.269 1.645 6.179
131 HG23 THR 23 HG23 THR 23 10.419 0.091 5.358
132 H TRP 24 HN TRP 24 7.048 2.596 4.638
133 HA TRP 24 HA TRP 24 4.157 2.205 5.096
134 HB2 TRP 24 HB2 TRP 24 5.672 4.639 4.282
135 HB3 TRP 24 HB1 TRP 24 4.159 4.337 3.437
136 HD1 TRP 24 HD1 TRP 24 5.532 5.512 6.747
137 HE1 TRP 24 HE1 TRP 24 3.590 6.276 8.258
138 HE3 TRP 24 HE3 TRP 24 1.634 3.832 3.944
139 HZ2 TRP 24 HZ2 TRP 24 0.782 6.173 8.255
140 HZ3 TRP 24 HZ3 TRP 24 -0.656 4.200 4.761
141 HH2 TRP 24 HH2 TRP 24 -1.064 5.350 6.870
142 H GLY 25 HN GLY 25 2.930 1.675 3.233
143 HA2 GLY 25 HA2 GLY 25 4.583 0.658 1.013
144 HA3 GLY 25 HA1 GLY 25 3.018 0.016 1.478
145 H CYS 26 HN CYS 26 4.173 1.150 -1.081
146 HA CYS 26 HA CYS 26 2.153 3.240 -1.553
147 HB2 CYS 26 HB2 CYS 26 4.762 3.533 -1.976
148 HB3 CYS 26 HB1 CYS 26 4.361 2.748 -3.498
149 H CYS 27 HN CYS 27 0.398 2.562 -2.571
150 HA CYS 27 HA CYS 27 0.612 0.276 -4.409
151 HB2 CYS 27 HB2 CYS 27 -0.977 0.389 -2.274
152 HB3 CYS 27 HB1 CYS 27 -2.036 1.211 -3.414
153 HA PRO 28 HA PRO 28 -0.318 3.228 -7.629
154 HB2 PRO 28 HB2 PRO 28 -0.363 1.505 -9.699
155 HB3 PRO 28 HB1 PRO 28 1.146 1.977 -8.908
156 HG2 PRO 28 HG2 PRO 28 -0.483 -0.509 -8.557
157 HG3 PRO 28 HG1 PRO 28 1.277 -0.333 -8.683
158 HD2 PRO 28 HD2 PRO 28 -0.045 -0.641 -6.311
159 HD3 PRO 28 HD1 PRO 28 1.502 0.214 -6.467
160 H SER 29 HN SER 29 -2.501 3.257 -6.384
161 HA SER 29 HA SER 29 -4.580 2.796 -8.315
162 HB2 SER 29 HB2 SER 29 -4.461 1.186 -5.765
163 HB3 SER 29 HB1 SER 29 -5.984 1.496 -6.600
164 HG SER 29 HG SER 29 -4.726 -0.503 -7.135
165 HA PRO 30 HA PRO 30 -6.375 6.298 -6.317
166 HB2 PRO 30 HB2 PRO 30 -9.049 5.791 -6.430
167 HB3 PRO 30 HB1 PRO 30 -8.092 6.259 -7.840
168 HG2 PRO 30 HG2 PRO 30 -8.965 3.530 -6.964
169 HG3 PRO 30 HG1 PRO 30 -8.984 4.241 -8.589
170 HD2 PRO 30 HD2 PRO 30 -7.051 2.538 -7.802
171 HD3 PRO 30 HD1 PRO 30 -6.720 3.889 -8.908
172 H LYS 31 HN LYS 31 -9.210 5.499 -5.061
173 HA LYS 31 HA LYS 31 -8.207 5.420 -2.369
174 HB2 LYS 31 HB2 LYS 31 -10.458 6.440 -3.508
175 HB3 LYS 31 HB1 LYS 31 -11.086 4.955 -2.807
176 HG2 LYS 31 HG2 LYS 31 -10.385 5.605 -0.621
177 HG3 LYS 31 HG1 LYS 31 -9.501 6.993 -1.261
178 HD2 LYS 31 HD2 LYS 31 -11.336 8.259 -1.234
179 HD3 LYS 31 HD1 LYS 31 -12.258 7.039 -2.114
180 HE2 LYS 31 HE2 LYS 31 -11.690 6.653 0.793
181 HE3 LYS 31 HE1 LYS 31 -12.976 7.753 0.295
182 HZ1 LYS 31 HZ1 LYS 31 -14.222 5.915 0.277
183 HZ2 LYS 31 HZ2 LYS 31 -12.891 4.873 0.228
184 HZ3 LYS 31 HZ3 LYS 31 -13.470 5.569 -1.200
185 H ALA 32 HN ALA 32 -7.291 3.177 -3.572
186 HA ALA 32 HA ALA 32 -8.964 0.901 -3.256
187 HB1 ALA 32 HB1 ALA 32 -6.003 0.643 -3.168
188 HB2 ALA 32 HB2 ALA 32 -6.742 1.287 -4.633
189 HB3 ALA 32 HB3 ALA 32 -7.196 -0.313 -4.046
190 H VAL 33 HN VAL 33 -8.767 -0.794 -1.700
191 HA VAL 33 HA VAL 33 -8.065 0.174 0.969
192 HB VAL 33 HB VAL 33 -9.377 -2.460 0.300
193 HG11 VAL 33 HG11 VAL 33 -8.836 -2.641 2.502
194 HG12 VAL 33 HG12 VAL 33 -10.369 -1.786 2.673
195 HG13 VAL 33 HG13 VAL 33 -8.850 -0.897 2.763
196 HG21 VAL 33 HG21 VAL 33 -10.949 -0.055 1.126
197 HG22 VAL 33 HG22 VAL 33 -11.487 -1.516 0.299
198 HG23 VAL 33 HG23 VAL 33 -10.547 -0.305 -0.573
199 H CYS 34 HN CYS 34 -6.269 -0.524 2.014
200 HA CYS 34 HA CYS 34 -4.411 -2.159 0.591
201 HB2 CYS 34 HB2 CYS 34 -3.324 -0.520 1.779
202 HB3 CYS 34 HB1 CYS 34 -4.381 -0.672 3.179
203 H CYS 35 HN CYS 35 -4.967 -4.266 0.392
204 HA CYS 35 HA CYS 35 -6.195 -5.882 2.315
205 HB2 CYS 35 HB2 CYS 35 -4.450 -6.436 -0.066
206 HB3 CYS 35 HB1 CYS 35 -4.884 -7.753 1.017
207 H ASP 36 HN ASP 36 -5.486 -6.231 4.277
208 HA ASP 36 HA ASP 36 -2.648 -6.102 4.884
209 HB2 ASP 36 HB2 ASP 36 -3.261 -5.786 7.133
210 HB3 ASP 36 HB1 ASP 36 -4.470 -4.902 6.205
211 H ASP 37 HN ASP 37 -4.998 -8.594 4.363
212 HA ASP 37 HA ASP 37 -4.241 -10.552 6.142
213 HB2 ASP 37 HB2 ASP 37 -5.979 -10.513 4.129
214 HB3 ASP 37 HB1 ASP 37 -4.667 -11.338 3.293
215 H MET 38 HN MET 38 -2.727 -9.628 3.097
216 HA MET 38 HA MET 38 -0.306 -11.067 3.936
217 HB2 MET 38 HB2 MET 38 -1.657 -11.096 1.246
218 HB3 MET 38 HB1 MET 38 0.067 -11.405 1.397
219 HG2 MET 38 HG2 MET 38 -2.074 -12.962 2.826
220 HG3 MET 38 HG1 MET 38 -1.324 -13.449 1.307
221 HE1 MET 38 HE1 MET 38 -0.633 -15.940 3.064
222 HE2 MET 38 HE2 MET 38 1.059 -15.831 2.574
223 HE3 MET 38 HE3 MET 38 -0.216 -15.336 1.460
224 H GLN 39 HN GLN 39 -0.587 -9.394 0.888
225 HA GLN 39 HA GLN 39 0.348 -6.881 1.899
226 HB2 GLN 39 HB2 GLN 39 2.448 -8.199 1.853
227 HB3 GLN 39 HB1 GLN 39 2.188 -8.526 0.145
228 HG2 GLN 39 HG2 GLN 39 3.793 -6.768 0.364
229 HG3 GLN 39 HG1 GLN 39 2.302 -6.096 -0.297
230 HE21 GLN 39 HE21 GLN 39 1.250 -4.532 0.797
231 HE22 GLN 39 HE22 GLN 39 1.788 -3.860 2.294
232 H HIS 40 HN HIS 40 -1.697 -6.339 0.794
233 HA HIS 40 HA HIS 40 -1.179 -5.673 -1.982
234 HB2 HIS 40 HB2 HIS 40 -2.490 -8.117 -1.372
235 HB3 HIS 40 HB1 HIS 40 -3.679 -7.035 -2.091
236 HD1 HIS 40 HD1 HIS 40 -1.542 -5.631 -4.019
237 HD2 HIS 40 HD2 HIS 40 -2.243 -9.707 -3.630
238 HE1 HIS 40 HE1 HIS 40 -0.758 -6.656 -6.177
239 HE2 HIS 40 HE2 HIS 40 -1.298 -9.107 -5.963
240 H CYS 41 HN CYS 41 -3.521 -5.079 -3.004
241 HA CYS 41 HA CYS 41 -5.177 -3.597 -1.151
242 HB2 CYS 41 HB2 CYS 41 -4.407 -1.861 -3.365
243 HB3 CYS 41 HB1 CYS 41 -4.496 -1.507 -1.645
244 H CYS 42 HN CYS 42 -7.216 -3.055 -2.054
245 HA CYS 42 HA CYS 42 -7.727 -4.224 -4.711
246 HB2 CYS 42 HB2 CYS 42 -9.485 -4.226 -2.254
247 HB3 CYS 42 HB1 CYS 42 -10.057 -4.669 -3.856
248 HA PRO 43 HA PRO 43 -9.081 -0.364 -6.345
249 HB2 PRO 43 HB2 PRO 43 -11.521 -1.948 -7.070
250 HB3 PRO 43 HB1 PRO 43 -10.590 -0.809 -8.053
251 HG2 PRO 43 HG2 PRO 43 -10.243 -3.412 -8.377
252 HG3 PRO 43 HG1 PRO 43 -8.848 -2.316 -8.384
253 HD2 PRO 43 HD2 PRO 43 -9.751 -4.218 -6.278
254 HD3 PRO 43 HD1 PRO 43 -8.107 -3.695 -6.703
255 H ALA 44 HN ALA 44 -10.324 1.350 -5.801
256 HA ALA 44 HA ALA 44 -11.453 1.555 -3.296
257 HB1 ALA 44 HB1 ALA 44 -12.718 3.570 -4.472
258 HB2 ALA 44 HB2 ALA 44 -11.570 3.204 -5.759
259 HB3 ALA 44 HB3 ALA 44 -10.986 3.613 -4.146
260 H GLY 45 HN GLY 45 -12.956 0.032 -2.730
261 HA2 GLY 45 HA2 GLY 45 -15.445 0.060 -2.521
262 HA3 GLY 45 HA1 GLY 45 -15.471 0.049 -4.279
263 H TYR 46 HN TYR 46 -12.943 -1.834 -3.078
264 HA TYR 46 HA TYR 46 -14.584 -4.271 -3.313
265 HB2 TYR 46 HB2 TYR 46 -11.789 -3.716 -4.311
266 HB3 TYR 46 HB1 TYR 46 -12.432 -5.347 -4.153
267 HD1 TYR 46 HD1 TYR 46 -13.425 -2.065 -5.656
268 HD2 TYR 46 HD2 TYR 46 -13.359 -6.301 -6.034
269 HE1 TYR 46 HE1 TYR 46 -14.447 -1.876 -7.885
270 HE2 TYR 46 HE2 TYR 46 -14.380 -6.124 -8.264
271 HH TYR 46 HH TYR 46 -14.865 -4.681 -9.960
272 H LYS 47 HN LYS 47 -13.713 -6.159 -2.171
273 HA LYS 47 HA LYS 47 -12.150 -5.413 0.209
274 HB2 LYS 47 HB2 LYS 47 -13.510 -6.954 1.538
275 HB3 LYS 47 HB1 LYS 47 -14.507 -5.698 0.817
276 HG2 LYS 47 HG2 LYS 47 -15.729 -7.172 -0.320
277 HG3 LYS 47 HG1 LYS 47 -14.308 -8.078 -0.845
278 HD2 LYS 47 HD2 LYS 47 -15.054 -9.687 0.525
279 HD3 LYS 47 HD1 LYS 47 -14.430 -8.672 1.826
280 HE2 LYS 47 HE2 LYS 47 -17.137 -8.015 0.853
281 HE3 LYS 47 HE1 LYS 47 -16.973 -9.553 1.700
282 HZ1 LYS 47 HZ1 LYS 47 -15.928 -7.021 2.821
283 HZ2 LYS 47 HZ2 LYS 47 -16.215 -8.482 3.624
284 HZ3 LYS 47 HZ3 LYS 47 -17.516 -7.539 3.096
285 H CYS 48 HN CYS 48 -11.002 -7.243 1.223
286 HA CYS 48 HA CYS 48 -9.825 -8.917 -0.822
287 HB2 CYS 48 HB2 CYS 48 -8.891 -7.712 1.519
288 HB3 CYS 48 HB1 CYS 48 -8.895 -9.437 1.877
289 H GLY 49 HN GLY 49 -9.761 -11.162 -0.813
290 HA2 GLY 49 HA2 GLY 49 -11.794 -12.450 0.902
291 HA3 GLY 49 HA1 GLY 49 -11.526 -12.899 -0.776
292 HA PRO 50 HA PRO 50 -8.971 -15.510 2.330
293 HB2 PRO 50 HB2 PRO 50 -10.121 -17.904 1.589
294 HB3 PRO 50 HB1 PRO 50 -10.607 -16.953 2.996
295 HG2 PRO 50 HG2 PRO 50 -11.841 -17.083 0.276
296 HG3 PRO 50 HG1 PRO 50 -12.629 -17.021 1.863
297 HD2 PRO 50 HD2 PRO 50 -12.452 -14.848 0.302
298 HD3 PRO 50 HD1 PRO 50 -12.315 -14.733 2.069
299 H GLY 51 HN GLY 51 -9.782 -15.420 -1.010
300 HA2 GLY 51 HA2 GLY 51 -7.522 -17.180 -1.693
301 HA3 GLY 51 HA1 GLY 51 -8.820 -16.721 -2.785
302 H GLY 52 HN GLY 52 -7.354 -14.309 -0.771
303 HA2 GLY 52 HA2 GLY 52 -6.094 -12.457 -1.266
304 HA3 GLY 52 HA1 GLY 52 -5.227 -13.494 -2.390
305 H THR 53 HN THR 53 -8.645 -12.957 -2.751
306 HA THR 53 HA THR 53 -8.083 -11.396 -5.183
307 HB THR 53 HB THR 53 -10.251 -12.161 -6.029
308 HG1 THR 53 HG1 THR 53 -10.366 -13.666 -3.608
309 HG21 THR 53 HG21 THR 53 -9.534 -14.249 -6.686
310 HG22 THR 53 HG22 THR 53 -8.931 -14.664 -5.082
311 HG23 THR 53 HG23 THR 53 -8.021 -13.554 -6.105
312 H CYS 54 HN CYS 54 -10.160 -10.088 -5.834
313 HA CYS 54 HA CYS 54 -11.050 -8.572 -3.469
314 HB2 CYS 54 HB2 CYS 54 -10.548 -7.427 -6.221
315 HB3 CYS 54 HB1 CYS 54 -10.960 -6.533 -4.763
316 H ILE 55 HN ILE 55 -13.177 -8.467 -3.186
317 HA ILE 55 HA ILE 55 -14.926 -8.991 -5.504
318 HB ILE 55 HB ILE 55 -16.361 -9.609 -3.156
319 HG12 ILE 55 HG12 ILE 55 -13.801 -11.202 -3.246
320 HG13 ILE 55 HG11 ILE 55 -14.009 -9.822 -2.173
321 HG21 ILE 55 HG21 ILE 55 -16.975 -11.383 -4.383
322 HG22 ILE 55 HG22 ILE 55 -15.309 -11.859 -4.715
323 HG23 ILE 55 HG23 ILE 55 -16.070 -10.588 -5.672
324 HD11 ILE 55 HD11 ILE 55 -15.467 -12.438 -2.147
325 HD12 ILE 55 HD12 ILE 55 -16.062 -11.019 -1.285
326 HD13 ILE 55 HD13 ILE 55 -14.490 -11.706 -0.876
327 H SER 56 HN SER 56 -17.295 -8.288 -4.892
328 HA SER 56 HA SER 56 -17.100 -5.538 -3.863
329 HB2 SER 56 HB2 SER 56 -18.394 -6.706 -6.199
330 HB3 SER 56 HB1 SER 56 -19.502 -5.722 -5.243
331 HG SER 56 HG SER 56 -17.060 -4.552 -5.563