Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
20519 | 2fyj RC | 5961 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H SER 1 1HT SER 1 34.029 -3.103 -6.014
2 2H SER 1 2HT SER 1 34.306 -4.757 -6.267
3 3H SER 1 3HT SER 1 35.010 -3.613 -7.298
4 HA SER 1 HA SER 1 36.570 -4.574 -5.678
5 1HB SER 1 2HB SER 1 36.032 -1.609 -5.360
6 2HB SER 1 1HB SER 1 37.571 -2.430 -5.091
7 HG SER 1 HG SER 1 37.598 -1.550 -7.135
8 H ALA 2 H ALA 2 36.713 -5.433 -3.710
9 HA ALA 2 HA ALA 2 34.763 -4.953 -1.691
10 1HB ALA 2 1HB ALA 2 36.129 -6.434 -0.299
11 2HB ALA 2 2HB ALA 2 37.419 -6.377 -1.503
12 3HB ALA 2 3HB ALA 2 35.871 -7.118 -1.905
13 H ARG 3 H ARG 3 34.753 -3.465 -0.135
14 HA ARG 3 HA ARG 3 35.358 -1.772 1.247
15 1HB ARG 3 2HB ARG 3 37.127 -2.970 2.213
16 2HB ARG 3 1HB ARG 3 38.058 -2.981 0.726
17 1HG ARG 3 2HG ARG 3 38.443 -0.537 1.016
18 2HG ARG 3 1HG ARG 3 37.635 -0.645 2.581
19 1HD ARG 3 2HD ARG 3 40.218 -0.800 2.494
20 2HD ARG 3 1HD ARG 3 39.330 -1.931 3.515
21 HE ARG 3 HE ARG 3 39.614 -3.592 1.745
22 1HH1 ARG 3 1HH1 ARG 3 41.701 -0.776 1.586
23 2HH1 ARG 3 2HH1 ARG 3 42.965 -1.631 0.754
24 1HH2 ARG 3 1HH2 ARG 3 41.286 -4.679 0.644
25 2HH2 ARG 3 2HH2 ARG 3 42.726 -3.819 0.200
26 H THR 4 H THR 4 38.072 -1.638 -1.036
27 HA THR 4 HA THR 4 37.019 0.542 -2.544
28 HB THR 4 HB THR 4 39.416 1.231 -0.822
29 HG1 THR 4 HG1 THR 4 36.682 1.454 -0.256
30 1HG2 THR 4 1HG2 THR 4 38.939 3.516 -1.569
31 2HG2 THR 4 2HG2 THR 4 37.559 2.933 -2.502
32 3HG2 THR 4 3HG2 THR 4 39.194 2.440 -2.943
33 H CYS 5 H CYS 5 40.159 -0.339 -1.354
34 HA CYS 5 HA CYS 5 41.249 -0.682 -4.023
35 1HB CYS 5 2HB CYS 5 42.308 0.488 -1.911
36 2HB CYS 5 1HB CYS 5 42.718 -1.150 -1.435
37 HA PRO 6 HA PRO 6 40.645 -5.075 -4.316
38 1HB PRO 6 2HB PRO 6 43.569 -5.175 -4.938
39 2HB PRO 6 1HB PRO 6 42.210 -5.906 -5.799
40 1HG PRO 6 2HG PRO 6 43.348 -3.721 -6.746
41 2HG PRO 6 1HG PRO 6 41.581 -3.889 -6.783
42 1HD PRO 6 2HD PRO 6 43.299 -2.260 -4.962
43 2HD PRO 6 1HD PRO 6 41.698 -1.887 -5.633
44 HA PRO 7 HA PRO 7 41.668 -7.253 -0.644
45 1HB PRO 7 2HB PRO 7 42.767 -9.616 -1.703
46 2HB PRO 7 1HB PRO 7 41.069 -9.316 -1.328
47 1HG PRO 7 2HG PRO 7 42.494 -9.139 -3.937
48 2HG PRO 7 1HG PRO 7 40.838 -9.668 -3.589
49 1HD PRO 7 2HD PRO 7 41.312 -7.264 -4.658
50 2HD PRO 7 1HD PRO 7 40.038 -7.486 -3.439
51 H ASN 8 H ASN 8 44.259 -7.837 -3.036
52 HA ASN 8 HA ASN 8 46.265 -7.874 -0.934
53 1HB ASN 8 2HB ASN 8 46.172 -9.367 -3.076
54 2HB ASN 8 1HB ASN 8 46.872 -7.965 -3.877
55 1HD2 ASN 8 1HD2 ASN 8 48.992 -7.335 -3.349
56 2HD2 ASN 8 2HD2 ASN 8 50.069 -8.393 -2.511
57 H GLN 9 H GLN 9 44.772 -5.433 -1.490
58 HA GLN 9 HA GLN 9 46.953 -3.635 -2.220
59 1HB GLN 9 2HB GLN 9 44.640 -4.154 -3.805
60 2HB GLN 9 1HB GLN 9 44.516 -2.521 -3.176
61 1HG GLN 9 2HG GLN 9 45.585 -2.374 -5.265
62 2HG GLN 9 1HG GLN 9 46.821 -2.106 -4.039
63 1HE2 GLN 9 1HE2 GLN 9 45.540 -5.270 -4.797
64 2HE2 GLN 9 2HE2 GLN 9 46.966 -5.888 -5.535
65 H PHE 10 H PHE 10 46.837 -1.626 -1.266
66 HA PHE 10 HA PHE 10 45.059 -1.541 1.062
67 1HB PHE 10 2HB PHE 10 47.223 -1.841 1.895
68 2HB PHE 10 1HB PHE 10 47.938 -0.776 0.692
69 HD1 PHE 10 HD1 PHE 10 45.758 -0.795 3.702
70 HD2 PHE 10 HD2 PHE 10 48.332 1.457 1.165
71 HE1 PHE 10 HE1 PHE 10 45.683 1.094 5.296
72 HE2 PHE 10 HE2 PHE 10 48.272 3.331 2.746
73 HZ PHE 10 HZ PHE 10 46.933 3.173 4.798
74 H SER 11 H SER 11 43.912 0.203 1.404
75 HA SER 11 HA SER 11 44.082 2.433 -0.412
76 1HB SER 11 2HB SER 11 41.738 2.901 0.516
77 2HB SER 11 1HB SER 11 41.909 1.445 -0.469
78 HG SER 11 HG SER 11 41.748 1.667 2.346
79 H CYS 12 H CYS 12 45.371 3.927 0.402
80 HA CYS 12 HA CYS 12 46.196 4.117 3.047
81 1HB CYS 12 2HB CYS 12 47.502 4.984 1.171
82 2HB CYS 12 1HB CYS 12 46.277 6.223 0.880
83 H ALA 13 H ALA 13 45.128 7.089 1.821
84 HA ALA 13 HA ALA 13 43.446 7.720 4.021
85 1HB ALA 13 1HB ALA 13 43.960 9.088 1.377
86 2HB ALA 13 2HB ALA 13 44.701 9.462 2.936
87 3HB ALA 13 3HB ALA 13 42.983 9.781 2.675
88 H SER 14 H SER 14 42.623 5.353 2.749
89 HA SER 14 HA SER 14 40.863 4.211 1.947
90 1HB SER 14 2HB SER 14 39.319 6.801 2.182
91 2HB SER 14 1HB SER 14 38.637 5.180 2.036
92 HG SER 14 HG SER 14 39.559 6.471 4.236
93 H GLY 15 H GLY 15 41.138 7.420 0.434
94 1HA GLY 15 2HA GLY 15 39.941 6.475 -2.021
95 2HA GLY 15 1HA GLY 15 40.594 8.080 -1.725
96 H ARG 16 H ARG 16 43.156 6.723 -0.751
97 HA ARG 16 HA ARG 16 44.346 6.546 -3.400
98 1HB ARG 16 2HB ARG 16 45.290 7.964 -1.527
99 2HB ARG 16 1HB ARG 16 45.718 6.466 -0.712
100 1HG ARG 16 2HG ARG 16 47.205 5.860 -2.487
101 2HG ARG 16 1HG ARG 16 46.678 7.241 -3.452
102 1HD ARG 16 2HD ARG 16 47.618 8.780 -1.862
103 2HD ARG 16 1HD ARG 16 48.009 7.460 -0.758
104 HE ARG 16 HE ARG 16 49.387 8.113 -3.255
105 1HH1 ARG 16 1HH1 ARG 16 49.122 6.172 -0.379
106 2HH1 ARG 16 2HH1 ARG 16 50.642 5.352 -0.609
107 1HH2 ARG 16 1HH2 ARG 16 51.397 7.029 -3.592
108 2HH2 ARG 16 2HH2 ARG 16 51.920 5.823 -2.447
109 H CYS 17 H CYS 17 45.332 4.663 -4.177
110 HA CYS 17 HA CYS 17 44.689 2.227 -2.683
111 1HB CYS 17 2HB CYS 17 42.843 2.721 -4.208
112 2HB CYS 17 1HB CYS 17 43.958 2.840 -5.557
113 H ILE 18 H ILE 18 46.611 1.407 -2.337
114 HA ILE 18 HA ILE 18 48.588 1.257 -4.527
115 HB ILE 18 HB ILE 18 50.326 1.879 -3.007
116 1HG1 ILE 18 2HG1 ILE 18 48.299 1.617 -0.780
117 2HG1 ILE 18 1HG1 ILE 18 49.522 0.405 -1.160
118 1HG2 ILE 18 1HG2 ILE 18 48.861 3.774 -3.646
119 2HG2 ILE 18 2HG2 ILE 18 49.569 3.999 -2.048
120 3HG2 ILE 18 3HG2 ILE 18 47.888 3.479 -2.198
121 1HD1 ILE 18 1HD1 ILE 18 50.296 1.674 0.681
122 2HD1 ILE 18 2HD1 ILE 18 49.953 3.190 -0.146
123 3HD1 ILE 18 3HD1 ILE 18 51.254 2.150 -0.724
124 HA PRO 19 HA PRO 19 48.821 -3.070 -3.317
125 1HB PRO 19 2HB PRO 19 51.744 -3.092 -3.435
126 2HB PRO 19 1HB PRO 19 50.577 -3.907 -4.481
127 1HG PRO 19 2HG PRO 19 52.089 -1.824 -5.322
128 2HG PRO 19 1HG PRO 19 50.458 -2.137 -5.943
129 1HD PRO 19 2HD PRO 19 51.361 -0.131 -3.910
130 2HD PRO 19 1HD PRO 19 50.158 0.040 -5.208
131 H ILE 20 H ILE 20 49.169 -4.359 -1.466
132 HA ILE 20 HA ILE 20 49.865 -2.858 0.891
133 HB ILE 20 HB ILE 20 49.263 -5.790 0.742
134 1HG1 ILE 20 2HG1 ILE 20 47.462 -3.392 0.991
135 2HG1 ILE 20 1HG1 ILE 20 47.334 -4.731 -0.142
136 1HG2 ILE 20 1HG2 ILE 20 49.219 -3.820 3.025
137 2HG2 ILE 20 2HG2 ILE 20 50.360 -5.145 2.796
138 3HG2 ILE 20 3HG2 ILE 20 48.661 -5.491 3.129
139 1HD1 ILE 20 1HD1 ILE 20 46.757 -4.787 2.810
140 2HD1 ILE 20 2HD1 ILE 20 46.757 -6.209 1.763
141 3HD1 ILE 20 3HD1 ILE 20 45.596 -4.910 1.484
142 H SER 21 H SER 21 51.704 -2.654 1.677
143 HA SER 21 HA SER 21 53.675 -4.063 2.589
144 1HB SER 21 2HB SER 21 53.846 -5.363 0.413
145 2HB SER 21 1HB SER 21 54.353 -3.867 -0.371
146 HG SER 21 HG SER 21 56.273 -4.095 0.461
147 H TRP 22 H TRP 22 52.653 -1.726 0.429
148 HA TRP 22 HA TRP 22 54.825 0.161 0.799
149 1HB TRP 22 2HB TRP 22 52.069 0.527 -0.385
150 2HB TRP 22 1HB TRP 22 53.362 1.710 -0.464
151 HD1 TRP 22 HD1 TRP 22 53.247 -2.058 -1.444
152 HE1 TRP 22 HE1 TRP 22 54.100 -2.242 -3.852
153 HE3 TRP 22 HE3 TRP 22 54.104 2.892 -2.389
154 HZ2 TRP 22 HZ2 TRP 22 55.037 -0.531 -5.891
155 HZ3 TRP 22 HZ3 TRP 22 54.986 3.534 -4.600
156 HH2 TRP 22 HH2 TRP 22 55.438 1.858 -6.311
157 H THR 23 H THR 23 52.288 -0.865 2.662
158 HA THR 23 HA THR 23 51.136 1.471 3.670
159 HB THR 23 HB THR 23 50.405 0.099 5.562
160 HG1 THR 23 HG1 THR 23 51.806 -1.368 6.185
161 1HG2 THR 23 1HG2 THR 23 49.242 -1.663 4.344
162 2HG2 THR 23 2HG2 THR 23 50.352 -1.479 2.987
163 3HG2 THR 23 3HG2 THR 23 49.248 -0.170 3.406
164 H CYS 24 H CYS 24 53.475 -0.595 5.196
165 HA CYS 24 HA CYS 24 54.511 1.553 6.795
166 1HB CYS 24 2HB CYS 24 55.089 -1.408 6.746
167 2HB CYS 24 1HB CYS 24 55.818 -0.266 7.875
168 H ASP 25 H ASP 25 55.566 2.798 5.227
169 HA ASP 25 HA ASP 25 57.775 1.462 3.787
170 1HB ASP 25 2HB ASP 25 55.881 2.008 2.305
171 2HB ASP 25 1HB ASP 25 55.992 3.694 2.789
172 H LEU 26 H LEU 26 56.729 4.075 5.731
173 HA LEU 26 HA LEU 26 57.836 5.656 6.872
174 1HB LEU 26 2HB LEU 26 60.238 4.441 5.552
175 2HB LEU 26 1HB LEU 26 60.367 5.977 6.387
176 HG LEU 26 HG LEU 26 59.407 3.412 7.662
177 1HD1 LEU 26 1HD1 LEU 26 61.574 3.450 8.823
178 2HD1 LEU 26 2HD1 LEU 26 62.073 4.809 7.816
179 3HD1 LEU 26 3HD1 LEU 26 61.748 3.239 7.083
180 1HD2 LEU 26 1HD2 LEU 26 59.648 4.650 9.752
181 2HD2 LEU 26 2HD2 LEU 26 58.485 5.435 8.685
182 3HD2 LEU 26 3HD2 LEU 26 60.110 6.098 8.852
183 H ASP 27 H ASP 27 56.439 6.932 5.664
184 HA ASP 27 HA ASP 27 56.144 9.043 4.885
185 1HB ASP 27 2HB ASP 27 59.095 8.815 4.535
186 2HB ASP 27 1HB ASP 27 58.245 10.166 3.793
187 H ASP 28 H ASP 28 58.360 7.377 2.599
188 HA ASP 28 HA ASP 28 57.913 9.171 0.571
189 1HB ASP 28 2HB ASP 28 59.665 7.258 0.793
190 2HB ASP 28 1HB ASP 28 58.503 6.334 -0.160
191 H ASP 29 H ASP 29 56.137 6.038 0.919
192 HA ASP 29 HA ASP 29 54.705 6.399 -1.464
193 1HB ASP 29 2HB ASP 29 54.762 4.195 -0.617
194 2HB ASP 29 1HB ASP 29 54.141 4.707 0.951
195 H CYS 30 H CYS 30 53.268 6.587 1.772
196 HA CYS 30 HA CYS 30 51.413 8.567 0.642
197 1HB CYS 30 2HB CYS 30 50.690 6.174 1.629
198 2HB CYS 30 1HB CYS 30 50.641 7.116 3.115
199 H GLY 31 H GLY 31 52.723 7.631 3.879
200 1HA GLY 31 2HA GLY 31 54.353 9.714 4.315
201 2HA GLY 31 1HA GLY 31 52.786 10.463 4.565
202 H ASP 32 H ASP 32 51.373 8.651 6.003
203 HA ASP 32 HA ASP 32 52.452 7.687 8.330
204 1HB ASP 32 2HB ASP 32 53.667 9.540 8.977
205 2HB ASP 32 1HB ASP 32 52.564 10.666 8.198
206 H ARG 33 H ARG 33 50.086 9.847 6.976
207 HA ARG 33 HA ARG 33 48.322 10.359 8.943
208 1HB ARG 33 2HB ARG 33 47.565 9.631 6.116
209 2HB ARG 33 1HB ARG 33 46.600 10.587 7.229
210 1HG ARG 33 2HG ARG 33 49.333 11.399 6.255
211 2HG ARG 33 1HG ARG 33 47.820 11.904 5.504
212 1HD ARG 33 2HD ARG 33 48.523 13.662 6.952
213 2HD ARG 33 1HD ARG 33 47.141 12.871 7.704
214 HE ARG 33 HE ARG 33 49.511 11.709 8.691
215 1HH1 ARG 33 1HH1 ARG 33 47.780 14.757 8.810
216 2HH1 ARG 33 2HH1 ARG 33 48.319 15.142 10.422
217 1HH2 ARG 33 1HH2 ARG 33 50.257 12.213 10.767
218 2HH2 ARG 33 2HH2 ARG 33 49.743 13.702 11.522
219 H SER 34 H SER 34 47.858 7.575 6.758
220 HA SER 34 HA SER 34 46.619 6.165 9.021
221 1HB SER 34 2HB SER 34 45.103 5.105 7.247
222 2HB SER 34 1HB SER 34 44.763 6.772 7.704
223 HG SER 34 HG SER 34 45.004 6.018 5.320
224 H ASP 35 H ASP 35 48.681 6.130 6.287
225 HA ASP 35 HA ASP 35 48.853 3.355 5.866
226 1HB ASP 35 2HB ASP 35 51.027 4.002 4.688
227 2HB ASP 35 1HB ASP 35 49.539 4.712 4.068
228 H GLU 36 H GLU 36 50.528 5.539 7.970
229 HA GLU 36 HA GLU 36 52.256 3.347 8.888
230 1HB GLU 36 2HB GLU 36 52.502 6.326 9.347
231 2HB GLU 36 1HB GLU 36 53.630 5.116 9.933
232 1HG GLU 36 2HG GLU 36 53.064 5.462 7.008
233 2HG GLU 36 1HG GLU 36 54.254 6.448 7.852
234 H SER 37 H SER 37 49.447 4.954 9.690
235 HA SER 37 HA SER 37 49.903 4.644 12.575
236 1HB SER 37 2HB SER 37 47.965 6.420 11.092
237 2HB SER 37 1HB SER 37 48.015 6.249 12.845
238 HG SER 37 HG SER 37 49.920 7.396 11.106
239 H ALA 38 H ALA 38 48.567 2.869 10.200
240 HA ALA 38 HA ALA 38 46.419 1.927 11.986
241 1HB ALA 38 1HB ALA 38 45.431 3.141 10.117
242 2HB ALA 38 2HB ALA 38 45.016 1.428 10.058
243 3HB ALA 38 3HB ALA 38 46.255 2.074 8.983
244 H SER 39 H SER 39 49.272 1.033 11.300
245 HA SER 39 HA SER 39 48.767 -1.755 11.434
246 1HB SER 39 2HB SER 39 49.901 -2.344 9.253
247 2HB SER 39 1HB SER 39 48.312 -1.599 9.073
248 HG SER 39 HG SER 39 50.861 -0.465 8.621
249 H CYS 40 H CYS 40 51.082 0.736 10.553
250 HA CYS 40 HA CYS 40 53.398 -0.742 10.927
251 1HB CYS 40 2HB CYS 40 52.969 2.234 11.039
252 2HB CYS 40 1HB CYS 40 54.513 1.418 10.780
253 H ALA 41 H ALA 41 54.077 -1.629 12.646
254 HA ALA 41 HA ALA 41 54.792 0.033 14.922
255 1HB ALA 41 1HB ALA 41 53.333 -2.606 15.199
256 2HB ALA 41 2HB ALA 41 52.724 -1.022 15.681
257 3HB ALA 41 3HB ALA 41 54.102 -1.733 16.522
258 H TYR 42 H TYR 42 56.341 -0.674 12.844
259 HA TYR 42 HA TYR 42 57.409 -3.365 13.197
260 1HB TYR 42 2HB TYR 42 58.429 -2.947 10.952
261 2HB TYR 42 1HB TYR 42 56.671 -2.870 10.985
262 HD1 TYR 42 HD1 TYR 42 55.520 -0.876 10.445
263 HD2 TYR 42 HD2 TYR 42 59.755 -0.834 10.761
264 HE1 TYR 42 HE1 TYR 42 55.574 1.334 9.381
265 HE2 TYR 42 HE2 TYR 42 59.818 1.386 9.704
266 HH TYR 42 HH TYR 42 56.837 3.147 8.949
267 HA PRO 43 HA PRO 43 61.561 -1.749 13.836
268 1HB PRO 43 2HB PRO 43 62.597 -3.990 14.861
269 2HB PRO 43 1HB PRO 43 61.488 -2.994 15.812
270 1HG PRO 43 2HG PRO 43 61.042 -5.630 14.558
271 2HG PRO 43 1HG PRO 43 60.194 -4.874 15.916
272 1HD PRO 43 2HD PRO 43 59.419 -4.958 13.124
273 2HD PRO 43 1HD PRO 43 58.509 -4.310 14.504
274 H THR 44 H THR 44 60.298 -3.297 11.383
275 HA THR 44 HA THR 44 62.808 -4.269 10.237
276 HB THR 44 HB THR 44 61.739 -6.211 11.330
277 HG1 THR 44 HG1 THR 44 61.946 -6.116 8.510
278 1HG2 THR 44 1HG2 THR 44 59.450 -5.691 9.419
279 2HG2 THR 44 2HG2 THR 44 59.398 -5.519 11.174
280 3HG2 THR 44 3HG2 THR 44 59.623 -7.112 10.449
281 H CYS 45 H CYS 45 60.876 -2.014 9.731
282 HA CYS 45 HA CYS 45 59.888 -0.908 8.019
283 1HB CYS 45 2HB CYS 45 61.086 -2.940 6.143
284 2HB CYS 45 1HB CYS 45 60.603 -1.281 5.772
285 H PHE 46 H PHE 46 59.666 -3.984 6.346
286 HA PHE 46 HA PHE 46 57.112 -4.652 7.355
287 1HB PHE 46 2HB PHE 46 56.829 -2.608 5.654
288 2HB PHE 46 1HB PHE 46 56.835 -3.930 4.486
289 HD1 PHE 46 HD1 PHE 46 55.505 -3.920 7.937
290 HD2 PHE 46 HD2 PHE 46 54.610 -4.027 3.784
291 HE1 PHE 46 HE1 PHE 46 53.155 -4.376 8.473
292 HE2 PHE 46 HE2 PHE 46 52.251 -4.485 4.304
293 HZ PHE 46 HZ PHE 46 51.516 -4.662 6.652
294 HA PRO 47 HA PRO 47 58.952 -8.304 5.663
295 1HB PRO 47 2HB PRO 47 57.447 -10.092 6.967
296 2HB PRO 47 1HB PRO 47 58.627 -9.083 7.815
297 1HG PRO 47 2HG PRO 47 55.660 -8.777 7.618
298 2HG PRO 47 1HG PRO 47 56.719 -8.549 9.020
299 1HD PRO 47 2HD PRO 47 55.757 -6.500 7.441
300 2HD PRO 47 1HD PRO 47 57.224 -6.402 8.436
301 H LEU 48 H LEU 48 56.684 -6.938 4.155
302 HA LEU 48 HA LEU 48 55.409 -9.316 3.026
303 1HB LEU 48 2HB LEU 48 54.845 -6.371 2.639
304 2HB LEU 48 1HB LEU 48 54.134 -7.609 1.620
305 HG LEU 48 HG LEU 48 53.693 -7.184 4.566
306 1HD1 LEU 48 1HD1 LEU 48 51.361 -6.972 3.887
307 2HD1 LEU 48 2HD1 LEU 48 51.820 -7.245 2.206
308 3HD1 LEU 48 3HD1 LEU 48 52.376 -5.797 3.048
309 1HD2 LEU 48 1HD2 LEU 48 52.269 -9.183 4.513
310 2HD2 LEU 48 2HD2 LEU 48 53.960 -9.573 4.201
311 3HD2 LEU 48 3HD2 LEU 48 52.810 -9.515 2.866
312 H THR 49 H THR 49 56.824 -6.348 1.658
313 HA THR 49 HA THR 49 58.772 -7.742 0.166
314 HB THR 49 HB THR 49 57.026 -8.508 -1.244
315 HG1 THR 49 HG1 THR 49 58.178 -6.219 -2.475
316 1HG2 THR 49 1HG2 THR 49 56.009 -5.676 -1.493
317 2HG2 THR 49 2HG2 THR 49 55.261 -6.946 -0.525
318 3HG2 THR 49 3HG2 THR 49 55.339 -7.105 -2.281
319 H GLN 50 H GLN 50 60.104 -6.216 1.033
320 HA GLN 50 HA GLN 50 60.056 -3.517 -0.036
321 1HB GLN 50 2HB GLN 50 59.756 -4.155 2.908
322 2HB GLN 50 1HB GLN 50 60.355 -2.606 2.338
323 1HG GLN 50 2HG GLN 50 57.696 -3.704 1.500
324 2HG GLN 50 1HG GLN 50 57.912 -2.747 2.966
325 1HE2 GLN 50 1HE2 GLN 50 58.391 -0.573 2.800
326 2HE2 GLN 50 2HE2 GLN 50 58.222 0.319 1.325
327 H PHE 51 H PHE 51 62.075 -2.329 0.669
328 HA PHE 51 HA PHE 51 64.227 -4.201 1.429
329 1HB PHE 51 2HB PHE 51 64.437 -3.411 -0.931
330 2HB PHE 51 1HB PHE 51 64.502 -1.754 -0.343
331 HD1 PHE 51 HD1 PHE 51 66.609 -0.801 -0.135
332 HD2 PHE 51 HD2 PHE 51 66.213 -5.019 0.257
333 HE1 PHE 51 HE1 PHE 51 69.030 -0.992 0.152
334 HE2 PHE 51 HE2 PHE 51 68.647 -5.219 0.528
335 HZ PHE 51 HZ PHE 51 70.062 -3.200 0.476
336 H THR 52 H THR 52 65.884 -3.315 2.782
337 HA THR 52 HA THR 52 64.930 -1.034 4.359
338 HB THR 52 HB THR 52 66.940 -3.149 5.172
339 HG1 THR 52 HG1 THR 52 64.300 -2.964 6.174
340 1HG2 THR 52 1HG2 THR 52 65.445 -1.084 6.786
341 2HG2 THR 52 2HG2 THR 52 67.157 -1.022 6.371
342 3HG2 THR 52 3HG2 THR 52 66.550 -2.295 7.431
343 H CYS 53 H CYS 53 65.807 0.700 3.417
344 HA CYS 53 HA CYS 53 68.293 1.004 2.235
345 1HB CYS 53 2HB CYS 53 66.487 2.647 2.145
346 2HB CYS 53 1HB CYS 53 66.731 3.010 3.849
347 H ASN 54 H ASN 54 70.331 1.623 2.963
348 HA ASN 54 HA ASN 54 70.914 0.543 5.573
349 1HB ASN 54 2HB ASN 54 72.623 1.423 3.261
350 2HB ASN 54 1HB ASN 54 73.327 0.998 4.818
351 1HD2 ASN 54 1HD2 ASN 54 71.341 -0.222 2.174
352 2HD2 ASN 54 2HD2 ASN 54 71.721 -1.888 2.429
353 H ASN 55 H ASN 55 70.497 3.676 4.241
354 HA ASN 55 HA ASN 55 71.968 5.123 6.161
355 1HB ASN 55 2HB ASN 55 71.105 6.065 4.026
356 2HB ASN 55 1HB ASN 55 69.474 5.973 4.674
357 1HD2 ASN 55 1HD2 ASN 55 72.586 7.524 4.967
358 2HD2 ASN 55 2HD2 ASN 55 72.029 8.908 5.838
359 H GLY 56 H GLY 56 69.262 3.179 6.481
360 1HA GLY 56 2HA GLY 56 68.455 2.756 8.745
361 2HA GLY 56 1HA GLY 56 68.540 4.491 9.027
362 H ARG 57 H ARG 57 67.477 4.206 5.988
363 HA ARG 57 HA ARG 57 64.712 4.688 6.751
364 1HB ARG 57 2HB ARG 57 65.749 4.647 3.932
365 2HB ARG 57 1HB ARG 57 64.429 5.592 4.608
366 1HG ARG 57 2HG ARG 57 65.840 7.179 5.487
367 2HG ARG 57 1HG ARG 57 67.222 6.079 5.539
368 1HD ARG 57 2HD ARG 57 67.210 6.066 3.046
369 2HD ARG 57 1HD ARG 57 65.977 7.326 3.092
370 HE ARG 57 HE ARG 57 68.017 8.321 4.610
371 1HH1 ARG 57 1HH1 ARG 57 67.778 7.087 1.341
372 2HH1 ARG 57 2HH1 ARG 57 69.074 8.070 0.739
373 1HH2 ARG 57 1HH2 ARG 57 69.726 9.631 3.798
374 2HH2 ARG 57 2HH2 ARG 57 70.178 9.503 2.127
375 H CYS 58 H CYS 58 62.972 3.587 5.524
376 HA CYS 58 HA CYS 58 63.769 0.964 4.467
377 1HB CYS 58 2HB CYS 58 61.101 1.892 5.570
378 2HB CYS 58 1HB CYS 58 61.450 0.275 4.953
379 H ILE 59 H ILE 59 63.033 0.421 2.384
380 HA ILE 59 HA ILE 59 61.582 2.528 0.981
381 HB ILE 59 HB ILE 59 63.090 2.333 -0.989
382 1HG1 ILE 59 2HG1 ILE 59 65.017 1.051 0.957
383 2HG1 ILE 59 1HG1 ILE 59 64.132 0.169 -0.286
384 1HG2 ILE 59 1HG2 ILE 59 64.848 3.800 -0.069
385 2HG2 ILE 59 2HG2 ILE 59 64.292 3.404 1.557
386 3HG2 ILE 59 3HG2 ILE 59 63.224 4.261 0.447
387 1HD1 ILE 59 1HD1 ILE 59 65.234 1.384 -2.031
388 2HD1 ILE 59 2HD1 ILE 59 66.455 0.747 -0.921
389 3HD1 ILE 59 3HD1 ILE 59 66.003 2.448 -0.849
390 H ASN 60 H ASN 60 60.771 1.849 -1.149
391 HA ASN 60 HA ASN 60 59.501 -0.672 -0.961
392 1HB ASN 60 2HB ASN 60 58.502 1.290 -2.101
393 2HB ASN 60 1HB ASN 60 59.704 1.133 -3.379
394 1HD2 ASN 60 1HD2 ASN 60 56.984 -0.383 -1.818
395 2HD2 ASN 60 2HD2 ASN 60 56.539 -1.390 -3.153
396 H ILE 61 H ILE 61 59.748 -2.535 -2.172
397 HA ILE 61 HA ILE 61 62.469 -3.284 -2.463
398 HB ILE 61 HB ILE 61 60.588 -4.742 -1.643
399 1HG1 ILE 61 2HG1 ILE 61 61.507 -6.803 -2.620
400 2HG1 ILE 61 1HG1 ILE 61 62.272 -5.866 -3.900
401 1HG2 ILE 61 1HG2 ILE 61 59.307 -5.970 -3.355
402 2HG2 ILE 61 2HG2 ILE 61 60.001 -4.932 -4.599
403 3HG2 ILE 61 3HG2 ILE 61 58.953 -4.244 -3.359
404 1HD1 ILE 61 1HD1 ILE 61 63.881 -6.505 -2.208
405 2HD1 ILE 61 2HD1 ILE 61 62.910 -5.721 -0.964
406 3HD1 ILE 61 3HD1 ILE 61 63.671 -4.755 -2.226
407 H ASN 62 H ASN 62 60.480 -1.756 -4.695
408 HA ASN 62 HA ASN 62 61.551 -3.258 -6.985
409 1HB ASN 62 2HB ASN 62 59.030 -2.878 -6.630
410 2HB ASN 62 1HB ASN 62 59.338 -1.219 -7.124
411 1HD2 ASN 62 1HD2 ASN 62 59.392 -4.559 -8.143
412 2HD2 ASN 62 2HD2 ASN 62 59.375 -4.240 -9.839
413 H TRP 63 H TRP 63 63.125 -1.267 -5.505
414 HA TRP 63 HA TRP 63 63.435 0.784 -7.599
415 1HB TRP 63 2HB TRP 63 64.321 0.861 -4.708
416 2HB TRP 63 1HB TRP 63 64.649 2.121 -5.889
417 HD1 TRP 63 HD1 TRP 63 61.198 0.735 -6.216
418 HE1 TRP 63 HE1 TRP 63 59.483 2.376 -5.232
419 HE3 TRP 63 HE3 TRP 63 64.406 3.907 -3.818
420 HZ2 TRP 63 HZ2 TRP 63 59.488 4.708 -3.643
421 HZ3 TRP 63 HZ3 TRP 63 63.472 5.820 -2.582
422 HH2 TRP 63 HH2 TRP 63 61.061 6.211 -2.497
423 H ARG 64 H ARG 64 64.531 -2.094 -6.994
424 HA ARG 64 HA ARG 64 67.330 -2.001 -7.062
425 1HB ARG 64 2HB ARG 64 65.715 -3.993 -8.661
426 2HB ARG 64 1HB ARG 64 67.289 -4.227 -7.922
427 1HG ARG 64 2HG ARG 64 64.721 -3.863 -6.397
428 2HG ARG 64 1HG ARG 64 65.449 -5.421 -6.781
429 1HD ARG 64 2HD ARG 64 66.834 -3.260 -5.203
430 2HD ARG 64 1HD ARG 64 65.903 -4.560 -4.468
431 HE ARG 64 HE ARG 64 67.911 -5.576 -6.207
432 1HH1 ARG 64 1HH1 ARG 64 67.419 -4.185 -3.029
433 2HH1 ARG 64 2HH1 ARG 64 68.874 -4.859 -2.369
434 1HH2 ARG 64 1HH2 ARG 64 69.821 -6.498 -5.298
435 2HH2 ARG 64 2HH2 ARG 64 70.209 -6.173 -3.636
436 H CYS 65 H CYS 65 68.485 -0.737 -8.483
437 HA CYS 65 HA CYS 65 67.599 -0.759 -11.290
438 1HB CYS 65 2HB CYS 65 67.681 1.480 -10.044
439 2HB CYS 65 1HB CYS 65 69.432 1.320 -10.125
440 H ASP 66 H ASP 66 70.646 -0.133 -9.629
441 HA ASP 66 HA ASP 66 72.261 -1.110 -11.740
442 1HB ASP 66 2HB ASP 66 74.118 -0.751 -10.269
443 2HB ASP 66 1HB ASP 66 72.957 0.524 -9.914
444 H ASN 67 H ASN 67 71.226 -2.430 -8.683
445 HA ASN 67 HA ASN 67 71.250 -5.129 -9.345
446 1HB ASN 67 2HB ASN 67 73.631 -5.121 -9.491
447 2HB ASN 67 1HB ASN 67 73.788 -4.064 -8.095
448 1HD2 ASN 67 1HD2 ASN 67 73.711 -4.920 -6.048
449 2HD2 ASN 67 2HD2 ASN 67 73.781 -6.620 -5.739
450 H ASP 68 H ASP 68 71.799 -2.617 -6.947
451 HA ASP 68 HA ASP 68 70.109 -4.136 -5.077
452 1HB ASP 68 2HB ASP 68 72.458 -3.344 -4.353
453 2HB ASP 68 1HB ASP 68 71.733 -1.739 -4.266
454 H ASN 69 H ASN 69 69.391 -1.778 -3.497
455 HA ASN 69 HA ASN 69 67.201 -1.056 -5.349
456 1HB ASN 69 2HB ASN 69 66.854 -2.668 -3.333
457 2HB ASN 69 1HB ASN 69 66.885 -1.196 -2.375
458 1HD2 ASN 69 1HD2 ASN 69 65.240 0.305 -2.623
459 2HD2 ASN 69 2HD2 ASN 69 63.717 -0.130 -3.323
460 H ASP 70 H ASP 70 67.241 0.987 -5.909
461 HA ASP 70 HA ASP 70 68.735 3.072 -5.110
462 1HB ASP 70 2HB ASP 70 66.070 2.850 -6.357
463 2HB ASP 70 1HB ASP 70 66.481 4.430 -5.706
464 H CYS 71 H CYS 71 69.051 4.149 -3.303
465 HA CYS 71 HA CYS 71 66.684 5.074 -1.849
466 1HB CYS 71 2HB CYS 71 67.599 3.152 -0.584
467 2HB CYS 71 1HB CYS 71 69.142 3.996 -0.453
468 H GLY 72 H GLY 72 70.255 5.356 -1.820
469 1HA GLY 72 2HA GLY 72 71.252 7.373 -2.727
470 2HA GLY 72 1HA GLY 72 69.867 8.265 -2.124
471 H ASP 73 H ASP 73 72.488 6.190 -0.909
472 HA ASP 73 HA ASP 73 73.493 8.346 0.674
473 1HB ASP 73 2HB ASP 73 73.433 6.975 2.830
474 2HB ASP 73 1HB ASP 73 71.921 7.716 2.315
475 H ASN 74 H ASN 74 73.792 4.854 1.234
476 HA ASN 74 HA ASN 74 76.241 4.677 -0.244
477 1HB ASN 74 2HB ASN 74 77.722 4.149 1.552
478 2HB ASN 74 1HB ASN 74 76.938 5.662 1.967
479 1HD2 ASN 74 1HD2 ASN 74 74.440 4.390 2.846
480 2HD2 ASN 74 2HD2 ASN 74 74.820 3.636 4.352
481 H SER 75 H SER 75 73.524 3.532 0.057
482 HA SER 75 HA SER 75 73.950 0.807 0.929
483 1HB SER 75 2HB SER 75 71.424 0.846 0.047
484 2HB SER 75 1HB SER 75 71.874 1.463 1.637
485 HG SER 75 HG SER 75 71.005 2.805 -0.614
486 H ASP 76 H ASP 76 71.755 1.474 -1.531
487 HA ASP 76 HA ASP 76 72.273 -0.646 -3.211
488 1HB ASP 76 2HB ASP 76 70.941 0.849 -4.853
489 2HB ASP 76 1HB ASP 76 70.172 0.374 -3.339
490 H GLU 77 H GLU 77 73.025 2.730 -3.637
491 HA GLU 77 HA GLU 77 75.424 2.604 -4.991
492 1HB GLU 77 2HB GLU 77 74.830 2.970 -7.311
493 2HB GLU 77 1HB GLU 77 74.093 1.465 -6.779
494 1HG GLU 77 2HG GLU 77 71.948 2.473 -6.636
495 2HG GLU 77 1HG GLU 77 72.618 4.088 -6.859
496 H ALA 78 H ALA 78 72.434 4.069 -4.232
497 HA ALA 78 HA ALA 78 72.158 6.011 -3.068
498 1HB ALA 78 1HB ALA 78 74.817 6.935 -4.151
499 2HB ALA 78 2HB ALA 78 74.538 6.206 -2.569
500 3HB ALA 78 3HB ALA 78 73.826 7.771 -2.955
501 H GLY 79 H GLY 79 71.641 5.289 -5.987
502 1HA GLY 79 2HA GLY 79 69.729 6.770 -6.761
503 2HA GLY 79 1HA GLY 79 70.940 8.037 -6.811
504 H CYS 80 H CYS 80 69.647 5.226 -8.346
505 HA CYS 80 HA CYS 80 71.513 5.014 -10.475
506 1HB CYS 80 2HB CYS 80 69.769 3.303 -9.818
507 2HB CYS 80 1HB CYS 80 68.559 4.349 -10.552
508 H SER 81 H SER 81 72.011 6.939 -11.406
509 HA SER 81 HA SER 81 69.797 8.736 -12.101
510 1HB SER 81 2HB SER 81 72.738 9.382 -11.801
511 2HB SER 81 1HB SER 81 71.422 10.541 -12.003
512 HG SER 81 HG SER 81 71.636 8.712 -9.831
513 H HIS 82 HN HIS 82 69.945 9.996 -14.038
514 HA HIS 82 HA HIS 82 71.802 9.274 -16.103
515 1HB HIS 82 2HB HIS 82 69.281 7.942 -15.996
516 2HB HIS 82 1HB HIS 82 69.255 9.048 -17.367
517 HD1 HIS 82 HD1 HIS 82 71.596 6.361 -15.984
518 HD2 HIS 82 HD2 HIS 82 70.336 8.007 -19.587
519 HE1 HIS 82 HE1 HIS 82 72.691 4.996 -17.811
Start of MODEL 2
1 1H SER 1 1HT SER 1 43.546 -0.885 2.590
2 2H SER 1 2HT SER 1 44.009 -1.798 3.941
3 3H SER 1 3HT SER 1 42.525 -2.093 3.191
4 HA SER 1 HA SER 1 45.174 -2.493 1.954
5 1HB SER 1 2HB SER 1 43.220 -4.623 2.823
6 2HB SER 1 1HB SER 1 44.897 -4.830 2.312
7 HG SER 1 HG SER 1 45.349 -4.665 4.356
8 H ALA 2 H ALA 2 41.992 -4.062 1.618
9 HA ALA 2 HA ALA 2 42.099 -3.363 -1.238
10 1HB ALA 2 1HB ALA 2 42.450 -5.753 -0.819
11 2HB ALA 2 2HB ALA 2 40.958 -5.454 -1.707
12 3HB ALA 2 3HB ALA 2 40.896 -5.826 0.017
13 H ARG 3 H ARG 3 40.389 -2.479 -2.168
14 HA ARG 3 HA ARG 3 37.717 -2.831 -1.631
15 1HB ARG 3 2HB ARG 3 37.002 -0.758 -0.555
16 2HB ARG 3 1HB ARG 3 38.069 -1.658 0.511
17 1HG ARG 3 2HG ARG 3 39.861 -0.157 0.126
18 2HG ARG 3 1HG ARG 3 39.013 0.615 -1.216
19 1HD ARG 3 2HD ARG 3 38.981 1.954 0.872
20 2HD ARG 3 1HD ARG 3 37.376 1.538 0.272
21 HE ARG 3 HE ARG 3 38.204 -0.398 2.139
22 1HH1 ARG 3 1HH1 ARG 3 37.165 2.944 1.984
23 2HH1 ARG 3 2HH1 ARG 3 36.508 2.947 3.590
24 1HH2 ARG 3 1HH2 ARG 3 37.329 -0.401 4.256
25 2HH2 ARG 3 2HH2 ARG 3 36.612 1.042 4.889
26 H THR 4 H THR 4 40.302 -0.860 -2.790
27 HA THR 4 HA THR 4 38.608 0.027 -5.029
28 HB THR 4 HB THR 4 40.914 1.581 -3.828
29 HG1 THR 4 HG1 THR 4 38.138 1.600 -3.285
30 1HG2 THR 4 1HG2 THR 4 39.954 3.460 -5.120
31 2HG2 THR 4 2HG2 THR 4 38.761 2.360 -5.809
32 3HG2 THR 4 3HG2 THR 4 40.474 2.134 -6.162
33 H CYS 5 H CYS 5 41.328 -1.684 -4.041
34 HA CYS 5 HA CYS 5 42.593 -1.444 -6.677
35 1HB CYS 5 2HB CYS 5 44.004 -1.577 -4.000
36 2HB CYS 5 1HB CYS 5 44.790 -1.555 -5.575
37 HA PRO 6 HA PRO 6 42.837 -5.874 -6.974
38 1HB PRO 6 2HB PRO 6 45.708 -5.515 -7.648
39 2HB PRO 6 1HB PRO 6 44.430 -6.320 -8.564
40 1HG PRO 6 2HG PRO 6 45.353 -3.942 -9.319
41 2HG PRO 6 1HG PRO 6 43.625 -4.329 -9.441
42 1HD PRO 6 2HD PRO 6 45.058 -2.662 -7.412
43 2HD PRO 6 1HD PRO 6 43.476 -2.399 -8.174
44 HA PRO 7 HA PRO 7 44.346 -7.747 -3.337
45 1HB PRO 7 2HB PRO 7 45.771 -9.771 -4.991
46 2HB PRO 7 1HB PRO 7 44.590 -10.000 -3.696
47 1HG PRO 7 2HG PRO 7 43.876 -10.335 -6.229
48 2HG PRO 7 1HG PRO 7 42.784 -9.533 -5.086
49 1HD PRO 7 2HD PRO 7 44.514 -8.339 -7.208
50 2HD PRO 7 1HD PRO 7 42.874 -7.884 -6.703
51 H ASN 8 H ASN 8 46.868 -7.423 -5.825
52 HA ASN 8 HA ASN 8 48.895 -7.472 -3.731
53 1HB ASN 8 2HB ASN 8 50.526 -7.816 -5.377
54 2HB ASN 8 1HB ASN 8 49.155 -8.788 -5.888
55 1HD2 ASN 8 1HD2 ASN 8 51.279 -6.247 -6.657
56 2HD2 ASN 8 2HD2 ASN 8 50.633 -5.870 -8.210
57 H GLN 9 H GLN 9 46.911 -5.276 -4.437
58 HA GLN 9 HA GLN 9 48.838 -3.065 -4.519
59 1HB GLN 9 2HB GLN 9 46.329 -3.457 -6.050
60 2HB GLN 9 1HB GLN 9 46.527 -1.873 -5.309
61 1HG GLN 9 2HG GLN 9 47.299 -2.068 -7.672
62 2HG GLN 9 1HG GLN 9 48.484 -1.443 -6.529
63 1HE2 GLN 9 1HE2 GLN 9 47.512 -4.261 -8.340
64 2HE2 GLN 9 2HE2 GLN 9 49.030 -5.072 -8.286
65 H PHE 10 H PHE 10 47.975 -1.141 -3.424
66 HA PHE 10 HA PHE 10 46.262 -1.928 -1.188
67 1HB PHE 10 2HB PHE 10 48.469 -1.677 -0.355
68 2HB PHE 10 1HB PHE 10 48.702 -0.165 -1.227
69 HD1 PHE 10 HD1 PHE 10 46.442 -1.647 1.348
70 HD2 PHE 10 HD2 PHE 10 48.473 1.815 -0.061
71 HE1 PHE 10 HE1 PHE 10 45.630 -0.380 3.301
72 HE2 PHE 10 HE2 PHE 10 47.655 3.090 1.877
73 HZ PHE 10 HZ PHE 10 46.236 1.991 3.561
74 H SER 11 H SER 11 44.469 -0.938 -1.189
75 HA SER 11 HA SER 11 44.160 1.641 -2.439
76 1HB SER 11 2HB SER 11 41.660 1.109 -2.066
77 2HB SER 11 1HB SER 11 42.515 0.215 -3.317
78 HG SER 11 HG SER 11 42.862 -1.259 -1.263
79 H CYS 12 H CYS 12 44.366 3.230 -1.227
80 HA CYS 12 HA CYS 12 44.325 3.093 1.611
81 1HB CYS 12 2HB CYS 12 45.827 4.556 0.245
82 2HB CYS 12 1HB CYS 12 44.425 5.537 -0.158
83 H ALA 13 H ALA 13 43.121 5.667 2.144
84 HA ALA 13 HA ALA 13 40.505 4.823 2.693
85 1HB ALA 13 1HB ALA 13 40.114 7.084 3.511
86 2HB ALA 13 2HB ALA 13 41.600 7.630 2.729
87 3HB ALA 13 3HB ALA 13 41.675 6.473 4.059
88 H SER 14 H SER 14 39.628 4.140 0.789
89 HA SER 14 HA SER 14 38.327 4.258 -1.065
90 1HB SER 14 2HB SER 14 37.210 6.607 0.464
91 2HB SER 14 1HB SER 14 36.361 5.626 -0.731
92 HG SER 14 HG SER 14 35.977 5.063 1.526
93 H GLY 15 H GLY 15 40.179 4.924 -2.425
94 1HA GLY 15 2HA GLY 15 39.462 6.374 -4.513
95 2HA GLY 15 1HA GLY 15 39.931 7.667 -3.421
96 H ARG 16 H ARG 16 42.153 6.260 -2.225
97 HA ARG 16 HA ARG 16 44.073 6.791 -4.324
98 1HB ARG 16 2HB ARG 16 44.381 6.104 -1.401
99 2HB ARG 16 1HB ARG 16 45.756 6.209 -2.487
100 1HG ARG 16 2HG ARG 16 45.604 8.263 -1.306
101 2HG ARG 16 1HG ARG 16 45.094 8.575 -2.965
102 1HD ARG 16 2HD ARG 16 42.908 7.818 -1.189
103 2HD ARG 16 1HD ARG 16 43.726 9.299 -0.697
104 HE ARG 16 HE ARG 16 43.305 9.741 -3.307
105 1HH1 ARG 16 1HH1 ARG 16 41.151 8.635 -0.761
106 2HH1 ARG 16 2HH1 ARG 16 39.738 9.308 -1.503
107 1HH2 ARG 16 1HH2 ARG 16 41.451 10.641 -4.260
108 2HH2 ARG 16 2HH2 ARG 16 39.910 10.463 -3.474
109 H CYS 17 H CYS 17 45.495 5.285 -5.196
110 HA CYS 17 HA CYS 17 44.957 2.483 -4.633
111 1HB CYS 17 2HB CYS 17 43.456 3.479 -6.550
112 2HB CYS 17 1HB CYS 17 44.927 3.306 -7.508
113 H ILE 18 H ILE 18 46.952 2.095 -3.973
114 HA ILE 18 HA ILE 18 49.165 2.624 -5.848
115 HB ILE 18 HB ILE 18 50.528 3.301 -4.064
116 1HG1 ILE 18 2HG1 ILE 18 48.554 1.990 -2.184
117 2HG1 ILE 18 1HG1 ILE 18 50.105 1.299 -2.667
118 1HG2 ILE 18 1HG2 ILE 18 48.650 4.886 -4.391
119 2HG2 ILE 18 2HG2 ILE 18 49.249 4.896 -2.731
120 3HG2 ILE 18 3HG2 ILE 18 47.749 4.044 -3.124
121 1HD1 ILE 18 1HD1 ILE 18 50.304 2.283 -0.490
122 2HD1 ILE 18 2HD1 ILE 18 49.662 3.813 -1.093
123 3HD1 ILE 18 3HD1 ILE 18 51.233 3.234 -1.653
124 HA PRO 19 HA PRO 19 49.934 -1.777 -5.098
125 1HB PRO 19 2HB PRO 19 52.806 -1.533 -4.817
126 2HB PRO 19 1HB PRO 19 51.872 -2.152 -6.187
127 1HG PRO 19 2HG PRO 19 53.287 0.182 -6.275
128 2HG PRO 19 1HG PRO 19 51.834 -0.117 -7.244
129 1HD PRO 19 2HD PRO 19 52.113 1.409 -4.674
130 2HD PRO 19 1HD PRO 19 51.179 1.824 -6.131
131 H ILE 20 H ILE 20 50.619 -3.371 -3.543
132 HA ILE 20 HA ILE 20 50.042 -2.657 -0.914
133 HB ILE 20 HB ILE 20 51.114 -5.110 -2.216
134 1HG1 ILE 20 2HG1 ILE 20 48.702 -4.617 -2.190
135 2HG1 ILE 20 1HG1 ILE 20 49.084 -6.106 -1.334
136 1HG2 ILE 20 1HG2 ILE 20 51.215 -6.320 -0.097
137 2HG2 ILE 20 2HG2 ILE 20 50.965 -4.806 0.772
138 3HG2 ILE 20 3HG2 ILE 20 52.427 -5.043 -0.183
139 1HD1 ILE 20 1HD1 ILE 20 48.492 -3.437 -0.077
140 2HD1 ILE 20 2HD1 ILE 20 48.915 -4.910 0.797
141 3HD1 ILE 20 3HD1 ILE 20 47.418 -4.835 -0.133
142 H SER 21 H SER 21 53.144 -2.858 -2.505
143 HA SER 21 HA SER 21 54.703 -3.099 -0.139
144 1HB SER 21 2HB SER 21 55.560 -2.180 -2.891
145 2HB SER 21 1HB SER 21 56.590 -2.871 -1.635
146 HG SER 21 HG SER 21 55.112 -4.760 -1.805
147 H TRP 22 H TRP 22 52.838 -0.640 -0.597
148 HA TRP 22 HA TRP 22 54.882 1.453 -0.157
149 1HB TRP 22 2HB TRP 22 52.279 1.693 -1.656
150 2HB TRP 22 1HB TRP 22 53.356 3.035 -1.298
151 HD1 TRP 22 HD1 TRP 22 53.954 -0.428 -2.921
152 HE1 TRP 22 HE1 TRP 22 55.223 -0.054 -5.092
153 HE3 TRP 22 HE3 TRP 22 54.250 4.652 -2.810
154 HZ2 TRP 22 HZ2 TRP 22 56.258 2.116 -6.598
155 HZ3 TRP 22 HZ3 TRP 22 55.399 5.810 -4.649
156 HH2 TRP 22 HH2 TRP 22 56.383 4.570 -6.508
157 H THR 23 H THR 23 53.020 -0.113 1.792
158 HA THR 23 HA THR 23 51.314 1.963 2.797
159 HB THR 23 HB THR 23 50.908 0.392 4.672
160 HG1 THR 23 HG1 THR 23 53.224 -0.531 4.160
161 1HG2 THR 23 1HG2 THR 23 49.589 0.198 2.598
162 2HG2 THR 23 2HG2 THR 23 49.823 -1.369 3.373
163 3HG2 THR 23 3HG2 THR 23 50.778 -0.936 1.954
164 H CYS 24 H CYS 24 51.768 1.750 5.514
165 HA CYS 24 HA CYS 24 53.365 3.535 6.463
166 1HB CYS 24 2HB CYS 24 52.815 0.790 7.357
167 2HB CYS 24 1HB CYS 24 54.031 1.702 8.253
168 H ASP 25 H ASP 25 55.231 4.063 5.312
169 HA ASP 25 HA ASP 25 57.502 2.574 6.334
170 1HB ASP 25 2HB ASP 25 58.759 3.033 4.146
171 2HB ASP 25 1HB ASP 25 57.623 1.699 4.172
172 H LEU 26 H LEU 26 57.627 5.205 4.035
173 HA LEU 26 HA LEU 26 58.209 7.104 6.178
174 1HB LEU 26 2HB LEU 26 60.105 6.616 3.875
175 2HB LEU 26 1HB LEU 26 60.276 7.857 5.098
176 HG LEU 26 HG LEU 26 60.409 4.885 5.627
177 1HD1 LEU 26 1HD1 LEU 26 62.789 5.238 5.935
178 2HD1 LEU 26 2HD1 LEU 26 62.610 6.938 5.502
179 3HD1 LEU 26 3HD1 LEU 26 62.301 5.684 4.300
180 1HD2 LEU 26 1HD2 LEU 26 61.245 5.535 7.826
181 2HD2 LEU 26 2HD2 LEU 26 59.614 6.155 7.553
182 3HD2 LEU 26 3HD2 LEU 26 61.003 7.236 7.421
183 H ASP 27 H ASP 27 56.522 6.419 3.441
184 HA ASP 27 HA ASP 27 56.821 9.077 2.253
185 1HB ASP 27 2HB ASP 27 56.813 6.918 0.852
186 2HB ASP 27 1HB ASP 27 55.075 6.896 1.137
187 H ASP 28 H ASP 28 54.694 10.025 1.376
188 HA ASP 28 HA ASP 28 52.945 10.227 3.745
189 1HB ASP 28 2HB ASP 28 54.616 12.068 3.548
190 2HB ASP 28 1HB ASP 28 53.923 12.495 1.990
191 H ASP 29 H ASP 29 52.712 8.918 0.933
192 HA ASP 29 HA ASP 29 50.712 10.290 -0.487
193 1HB ASP 29 2HB ASP 29 50.349 8.326 -1.724
194 2HB ASP 29 1HB ASP 29 52.024 8.175 -1.208
195 H CYS 30 H CYS 30 50.564 8.030 2.152
196 HA CYS 30 HA CYS 30 47.997 9.199 2.916
197 1HB CYS 30 2HB CYS 30 48.544 6.274 2.520
198 2HB CYS 30 1HB CYS 30 47.363 6.805 3.717
199 H GLY 31 H GLY 31 50.659 9.681 3.827
200 1HA GLY 31 2HA GLY 31 51.179 8.291 6.273
201 2HA GLY 31 1HA GLY 31 51.945 9.778 5.738
202 H ASP 32 H ASP 32 48.651 8.847 6.574
203 HA ASP 32 HA ASP 32 48.230 10.281 8.894
204 1HB ASP 32 2HB ASP 32 48.736 12.352 7.767
205 2HB ASP 32 1HB ASP 32 47.738 11.911 6.385
206 H ARG 33 H ARG 33 46.991 9.450 5.730
207 HA ARG 33 HA ARG 33 44.238 9.408 6.510
208 1HB ARG 33 2HB ARG 33 45.567 8.291 4.040
209 2HB ARG 33 1HB ARG 33 43.842 8.539 4.258
210 1HG ARG 33 2HG ARG 33 45.843 10.772 4.370
211 2HG ARG 33 1HG ARG 33 45.055 10.255 2.880
212 1HD ARG 33 2HD ARG 33 43.493 11.772 3.419
213 2HD ARG 33 1HD ARG 33 42.921 10.545 4.546
214 HE ARG 33 HE ARG 33 44.653 11.807 6.101
215 1HH1 ARG 33 1HH1 ARG 33 42.339 13.168 3.847
216 2HH1 ARG 33 2HH1 ARG 33 42.150 14.643 4.734
217 1HH2 ARG 33 1HH2 ARG 33 44.415 13.710 7.277
218 2HH2 ARG 33 2HH2 ARG 33 43.340 14.961 6.703
219 H SER 34 H SER 34 45.189 7.845 8.349
220 HA SER 34 HA SER 34 44.545 5.959 9.428
221 1HB SER 34 2HB SER 34 43.293 5.099 6.819
222 2HB SER 34 1HB SER 34 43.000 4.380 8.402
223 HG SER 34 HG SER 34 42.623 7.036 8.523
224 H ASP 35 H ASP 35 46.220 5.616 6.371
225 HA ASP 35 HA ASP 35 46.956 2.918 6.560
226 1HB ASP 35 2HB ASP 35 47.275 4.159 4.499
227 2HB ASP 35 1HB ASP 35 48.473 5.194 5.275
228 H GLU 36 H GLU 36 48.113 5.641 8.271
229 HA GLU 36 HA GLU 36 50.569 4.253 9.082
230 1HB GLU 36 2HB GLU 36 49.703 7.137 9.369
231 2HB GLU 36 1HB GLU 36 51.220 6.495 9.979
232 1HG GLU 36 2HG GLU 36 50.435 6.393 7.082
233 2HG GLU 36 1HG GLU 36 51.334 7.730 7.793
234 H SER 37 H SER 37 47.757 3.814 9.998
235 HA SER 37 HA SER 37 48.509 3.607 12.808
236 1HB SER 37 2HB SER 37 45.788 4.582 11.897
237 2HB SER 37 1HB SER 37 46.290 4.308 13.565
238 HG SER 37 HG SER 37 48.089 5.904 12.546
239 H ALA 38 H ALA 38 48.065 2.001 10.195
240 HA ALA 38 HA ALA 38 46.597 -0.184 11.469
241 1HB ALA 38 1HB ALA 38 44.977 1.042 10.102
242 2HB ALA 38 2HB ALA 38 45.253 -0.588 9.493
243 3HB ALA 38 3HB ALA 38 45.996 0.791 8.686
244 H SER 39 H SER 39 48.885 0.886 9.012
245 HA SER 39 HA SER 39 49.457 -1.923 8.356
246 1HB SER 39 2HB SER 39 50.427 0.526 6.873
247 2HB SER 39 1HB SER 39 50.389 -1.141 6.297
248 HG SER 39 HG SER 39 48.611 0.623 5.818
249 H CYS 40 H CYS 40 50.744 0.796 9.969
250 HA CYS 40 HA CYS 40 53.478 0.407 9.703
251 1HB CYS 40 2HB CYS 40 51.852 1.597 11.939
252 2HB CYS 40 1HB CYS 40 53.610 1.614 11.928
253 H ALA 41 H ALA 41 54.097 -1.670 9.821
254 HA ALA 41 HA ALA 41 54.555 -2.655 12.523
255 1HB ALA 41 1HB ALA 41 53.422 -4.397 10.329
256 2HB ALA 41 2HB ALA 41 52.532 -3.824 11.739
257 3HB ALA 41 3HB ALA 41 53.889 -4.926 11.945
258 H TYR 42 H TYR 42 56.296 -1.313 10.873
259 HA TYR 42 HA TYR 42 57.946 -3.402 9.638
260 1HB TYR 42 2HB TYR 42 58.920 -1.524 8.250
261 2HB TYR 42 1HB TYR 42 57.235 -1.901 7.925
262 HD1 TYR 42 HD1 TYR 42 59.517 0.680 8.354
263 HD2 TYR 42 HD2 TYR 42 55.526 -0.395 9.372
264 HE1 TYR 42 HE1 TYR 42 58.952 3.055 8.634
265 HE2 TYR 42 HE2 TYR 42 54.953 1.977 9.649
266 HH TYR 42 HH TYR 42 56.848 4.476 8.549
267 HA PRO 43 HA PRO 43 60.826 -1.964 12.883
268 1HB PRO 43 2HB PRO 43 61.504 -4.728 13.299
269 2HB PRO 43 1HB PRO 43 60.676 -3.636 14.410
270 1HG PRO 43 2HG PRO 43 59.498 -5.818 13.219
271 2HG PRO 43 1HG PRO 43 58.612 -4.407 13.823
272 1HD PRO 43 2HD PRO 43 59.429 -5.081 11.021
273 2HD PRO 43 1HD PRO 43 57.914 -4.364 11.615
274 H THR 44 H THR 44 60.895 -3.972 10.117
275 HA THR 44 HA THR 44 63.738 -3.359 9.695
276 HB THR 44 HB THR 44 63.520 -5.739 10.290
277 HG1 THR 44 HG1 THR 44 64.188 -5.080 7.616
278 1HG2 THR 44 1HG2 THR 44 62.303 -7.284 8.807
279 2HG2 THR 44 2HG2 THR 44 61.687 -5.904 7.899
280 3HG2 THR 44 3HG2 THR 44 61.221 -6.124 9.585
281 H CYS 45 H CYS 45 61.138 -2.162 8.882
282 HA CYS 45 HA CYS 45 60.046 -1.304 7.102
283 1HB CYS 45 2HB CYS 45 62.597 -1.877 5.592
284 2HB CYS 45 1HB CYS 45 61.339 -0.732 5.133
285 H PHE 46 H PHE 46 58.968 -3.530 7.458
286 HA PHE 46 HA PHE 46 58.176 -4.466 4.920
287 1HB PHE 46 2HB PHE 46 60.324 -5.714 5.128
288 2HB PHE 46 1HB PHE 46 59.724 -6.456 6.600
289 HD1 PHE 46 HD1 PHE 46 56.906 -7.090 5.731
290 HD2 PHE 46 HD2 PHE 46 60.638 -7.526 3.719
291 HE1 PHE 46 HE1 PHE 46 55.970 -8.928 4.418
292 HE2 PHE 46 HE2 PHE 46 59.703 -9.375 2.395
293 HZ PHE 46 HZ PHE 46 57.371 -10.087 2.746
294 HA PRO 47 HA PRO 47 55.008 -5.709 7.847
295 1HB PRO 47 2HB PRO 47 53.048 -4.081 6.995
296 2HB PRO 47 1HB PRO 47 54.278 -3.539 8.139
297 1HG PRO 47 2HG PRO 47 53.915 -2.836 5.308
298 2HG PRO 47 1HG PRO 47 54.789 -1.972 6.580
299 1HD PRO 47 2HD PRO 47 55.848 -3.728 4.546
300 2HD PRO 47 1HD PRO 47 56.735 -2.776 5.753
301 H LEU 48 H LEU 48 55.449 -5.577 4.478
302 HA LEU 48 HA LEU 48 53.456 -7.618 3.961
303 1HB LEU 48 2HB LEU 48 53.298 -4.872 2.727
304 2HB LEU 48 1HB LEU 48 52.443 -6.276 2.105
305 HG LEU 48 HG LEU 48 52.114 -5.447 4.958
306 1HD1 LEU 48 1HD1 LEU 48 50.564 -4.375 2.591
307 2HD1 LEU 48 2HD1 LEU 48 51.635 -3.445 3.638
308 3HD1 LEU 48 3HD1 LEU 48 50.145 -4.128 4.284
309 1HD2 LEU 48 1HD2 LEU 48 49.918 -6.531 4.645
310 2HD2 LEU 48 2HD2 LEU 48 51.268 -7.620 4.322
311 3HD2 LEU 48 3HD2 LEU 48 50.367 -6.912 2.982
312 H THR 49 H THR 49 55.604 -5.290 2.316
313 HA THR 49 HA THR 49 57.210 -7.311 1.136
314 HB THR 49 HB THR 49 56.526 -6.307 -1.270
315 HG1 THR 49 HG1 THR 49 53.945 -6.783 -0.385
316 1HG2 THR 49 1HG2 THR 49 55.327 -8.393 -1.709
317 2HG2 THR 49 2HG2 THR 49 55.192 -8.685 0.026
318 3HG2 THR 49 3HG2 THR 49 56.778 -8.683 -0.746
319 H GLN 50 H GLN 50 58.704 -5.811 2.195
320 HA GLN 50 HA GLN 50 59.413 -3.631 0.403
321 1HB GLN 50 2HB GLN 50 59.209 -3.160 3.377
322 2HB GLN 50 1HB GLN 50 59.622 -1.984 2.140
323 1HG GLN 50 2HG GLN 50 57.304 -2.358 1.203
324 2HG GLN 50 1HG GLN 50 56.954 -3.236 2.692
325 1HE2 GLN 50 1HE2 GLN 50 57.462 -0.161 1.248
326 2HE2 GLN 50 2HE2 GLN 50 57.063 0.805 2.624
327 H PHE 51 H PHE 51 61.509 -2.591 1.296
328 HA PHE 51 HA PHE 51 63.251 -4.617 2.520
329 1HB PHE 51 2HB PHE 51 63.522 -4.595 0.022
330 2HB PHE 51 1HB PHE 51 63.971 -2.901 0.124
331 HD1 PHE 51 HD1 PHE 51 66.183 -2.268 0.581
332 HD2 PHE 51 HD2 PHE 51 64.984 -6.310 1.122
333 HE1 PHE 51 HE1 PHE 51 68.534 -2.921 0.852
334 HE2 PHE 51 HE2 PHE 51 67.338 -6.977 1.398
335 HZ PHE 51 HZ PHE 51 69.120 -5.276 1.259
336 H THR 52 H THR 52 65.084 -3.633 3.651
337 HA THR 52 HA THR 52 64.539 -0.816 4.247
338 HB THR 52 HB THR 52 64.398 -2.331 6.211
339 HG1 THR 52 HG1 THR 52 64.942 -0.236 6.694
340 1HG2 THR 52 1HG2 THR 52 67.365 -2.705 5.803
341 2HG2 THR 52 2HG2 THR 52 66.135 -3.949 5.569
342 3HG2 THR 52 3HG2 THR 52 66.420 -3.284 7.177
343 H CYS 53 H CYS 53 65.757 0.491 3.131
344 HA CYS 53 HA CYS 53 68.262 -0.068 2.013
345 1HB CYS 53 2HB CYS 53 66.648 1.920 1.624
346 2HB CYS 53 1HB CYS 53 67.460 2.658 3.003
347 H ASN 54 H ASN 54 70.249 -0.301 2.948
348 HA ASN 54 HA ASN 54 70.435 -0.559 5.720
349 1HB ASN 54 2HB ASN 54 72.650 -1.191 5.447
350 2HB ASN 54 1HB ASN 54 71.940 -1.580 3.889
351 1HD2 ASN 54 1HD2 ASN 54 71.928 1.046 2.779
352 2HD2 ASN 54 2HD2 ASN 54 73.573 1.513 2.521
353 H ASN 55 H ASN 55 70.644 2.299 3.881
354 HA ASN 55 HA ASN 55 72.182 3.701 5.861
355 1HB ASN 55 2HB ASN 55 72.331 4.126 3.358
356 2HB ASN 55 1HB ASN 55 70.774 4.932 3.500
357 1HD2 ASN 55 1HD2 ASN 55 71.946 6.785 2.682
358 2HD2 ASN 55 2HD2 ASN 55 72.833 7.771 3.791
359 H GLY 56 H GLY 56 69.262 2.546 6.084
360 1HA GLY 56 2HA GLY 56 68.151 3.056 8.158
361 2HA GLY 56 1HA GLY 56 68.513 4.751 7.888
362 H ARG 57 H ARG 57 67.479 3.449 5.003
363 HA ARG 57 HA ARG 57 64.902 4.781 5.404
364 1HB ARG 57 2HB ARG 57 66.214 3.979 2.805
365 2HB ARG 57 1HB ARG 57 64.710 4.867 2.963
366 1HG ARG 57 2HG ARG 57 66.210 6.540 2.498
367 2HG ARG 57 1HG ARG 57 66.163 6.581 4.262
368 1HD ARG 57 2HD ARG 57 68.237 5.582 4.470
369 2HD ARG 57 1HD ARG 57 68.179 4.888 2.851
370 HE ARG 57 HE ARG 57 68.655 7.749 3.435
371 1HH1 ARG 57 1HH1 ARG 57 68.941 4.945 1.376
372 2HH1 ARG 57 2HH1 ARG 57 70.133 5.656 0.326
373 1HH2 ARG 57 1HH2 ARG 57 70.167 8.730 2.025
374 2HH2 ARG 57 2HH2 ARG 57 70.814 7.816 0.689
375 H CYS 58 H CYS 58 62.986 3.863 4.436
376 HA CYS 58 HA CYS 58 63.083 0.938 4.150
377 1HB CYS 58 2HB CYS 58 60.680 2.716 4.637
378 2HB CYS 58 1HB CYS 58 60.673 0.957 4.567
379 H ILE 59 H ILE 59 62.981 0.229 2.094
380 HA ILE 59 HA ILE 59 61.783 2.043 0.129
381 HB ILE 59 HB ILE 59 63.198 1.126 -1.606
382 1HG1 ILE 59 2HG1 ILE 59 64.605 -0.450 0.562
383 2HG1 ILE 59 1HG1 ILE 59 63.458 -1.144 -0.581
384 1HG2 ILE 59 1HG2 ILE 59 65.348 2.040 -0.889
385 2HG2 ILE 59 2HG2 ILE 59 64.792 2.032 0.784
386 3HG2 ILE 59 3HG2 ILE 59 64.002 3.073 -0.401
387 1HD1 ILE 59 1HD1 ILE 59 66.071 0.172 -1.285
388 2HD1 ILE 59 2HD1 ILE 59 64.922 -0.515 -2.434
389 3HD1 ILE 59 3HD1 ILE 59 65.742 -1.560 -1.273
390 H ASN 60 H ASN 60 61.023 0.760 -1.900
391 HA ASN 60 HA ASN 60 59.132 -1.199 -0.977
392 1HB ASN 60 2HB ASN 60 59.768 -0.427 -3.836
393 2HB ASN 60 1HB ASN 60 58.322 -1.249 -3.266
394 1HD2 ASN 60 1HD2 ASN 60 57.906 0.422 -0.953
395 2HD2 ASN 60 2HD2 ASN 60 57.407 1.969 -1.536
396 H ILE 61 H ILE 61 58.968 -3.376 -1.894
397 HA ILE 61 HA ILE 61 61.518 -4.685 -1.837
398 HB ILE 61 HB ILE 61 59.088 -5.450 -1.025
399 1HG1 ILE 61 2HG1 ILE 61 61.244 -6.573 -0.517
400 2HG1 ILE 61 1HG1 ILE 61 59.915 -7.693 -0.753
401 1HG2 ILE 61 1HG2 ILE 61 58.140 -7.149 -2.488
402 2HG2 ILE 61 2HG2 ILE 61 59.344 -6.764 -3.719
403 3HG2 ILE 61 3HG2 ILE 61 58.141 -5.559 -3.255
404 1HD1 ILE 61 1HD1 ILE 61 61.944 -8.521 -1.745
405 2HD1 ILE 61 2HD1 ILE 61 62.077 -7.068 -2.737
406 3HD1 ILE 61 3HD1 ILE 61 60.740 -8.192 -2.991
407 H ASN 62 H ASN 62 59.558 -3.351 -4.232
408 HA ASN 62 HA ASN 62 60.438 -5.153 -6.348
409 1HB ASN 62 2HB ASN 62 58.816 -3.865 -7.748
410 2HB ASN 62 1HB ASN 62 58.087 -4.625 -6.336
411 1HD2 ASN 62 1HD2 ASN 62 59.028 -1.617 -7.805
412 2HD2 ASN 62 2HD2 ASN 62 58.152 -0.592 -6.721
413 H TRP 63 H TRP 63 62.447 -3.462 -5.190
414 HA TRP 63 HA TRP 63 62.955 -1.572 -7.391
415 1HB TRP 63 2HB TRP 63 63.963 -1.680 -4.552
416 2HB TRP 63 1HB TRP 63 64.753 -0.696 -5.777
417 HD1 TRP 63 HD1 TRP 63 60.931 -0.923 -5.729
418 HE1 TRP 63 HE1 TRP 63 59.979 1.375 -5.051
419 HE3 TRP 63 HE3 TRP 63 65.293 1.426 -4.441
420 HZ2 TRP 63 HZ2 TRP 63 60.947 3.838 -4.112
421 HZ3 TRP 63 HZ3 TRP 63 65.187 3.760 -3.669
422 HH2 TRP 63 HH2 TRP 63 63.059 4.941 -3.508
423 H ARG 64 H ARG 64 63.546 -4.635 -6.619
424 HA ARG 64 HA ARG 64 66.314 -4.967 -7.168
425 1HB ARG 64 2HB ARG 64 64.263 -7.018 -7.965
426 2HB ARG 64 1HB ARG 64 65.883 -7.264 -7.344
427 1HG ARG 64 2HG ARG 64 63.723 -6.119 -5.621
428 2HG ARG 64 1HG ARG 64 63.891 -7.858 -5.857
429 1HD ARG 64 2HD ARG 64 66.001 -5.999 -4.770
430 2HD ARG 64 1HD ARG 64 65.014 -7.112 -3.824
431 HE ARG 64 HE ARG 64 66.659 -8.265 -5.937
432 1HH1 ARG 64 1HH1 ARG 64 66.161 -7.632 -2.548
433 2HH1 ARG 64 2HH1 ARG 64 67.453 -8.657 -2.019
434 1HH2 ARG 64 1HH2 ARG 64 68.341 -9.679 -5.258
435 2HH2 ARG 64 2HH2 ARG 64 68.676 -9.852 -3.563
436 H CYS 65 H CYS 65 66.911 -3.794 -9.034
437 HA CYS 65 HA CYS 65 65.415 -4.312 -11.480
438 1HB CYS 65 2HB CYS 65 67.749 -2.478 -10.927
439 2HB CYS 65 1HB CYS 65 66.973 -2.647 -12.499
440 H ASP 66 H ASP 66 68.065 -5.548 -9.848
441 HA ASP 66 HA ASP 66 68.699 -7.366 -11.939
442 1HB ASP 66 2HB ASP 66 71.144 -6.668 -12.065
443 2HB ASP 66 1HB ASP 66 69.995 -5.624 -12.892
444 H ASN 67 H ASN 67 70.746 -6.021 -9.324
445 HA ASN 67 HA ASN 67 71.099 -8.695 -8.333
446 1HB ASN 67 2HB ASN 67 73.088 -7.373 -8.523
447 2HB ASN 67 1HB ASN 67 72.379 -6.073 -7.576
448 1HD2 ASN 67 1HD2 ASN 67 72.555 -6.097 -5.424
449 2HD2 ASN 67 2HD2 ASN 67 73.335 -7.355 -4.521
450 H ASP 68 H ASP 68 70.683 -5.712 -6.385
451 HA ASP 68 HA ASP 68 68.663 -7.207 -4.827
452 1HB ASP 68 2HB ASP 68 71.049 -6.807 -3.788
453 2HB ASP 68 1HB ASP 68 70.443 -5.176 -3.514
454 H ASN 69 H ASN 69 68.448 -4.723 -3.075
455 HA ASN 69 HA ASN 69 66.362 -3.576 -4.808
456 1HB ASN 69 2HB ASN 69 66.531 -4.303 -1.972
457 2HB ASN 69 1HB ASN 69 65.811 -2.722 -2.252
458 1HD2 ASN 69 1HD2 ASN 69 64.712 -5.332 -1.339
459 2HD2 ASN 69 2HD2 ASN 69 63.364 -5.628 -2.383
460 H ASP 70 H ASP 70 66.636 -1.668 -5.566
461 HA ASP 70 HA ASP 70 69.047 -0.405 -5.489
462 1HB ASP 70 2HB ASP 70 67.191 -0.244 -7.206
463 2HB ASP 70 1HB ASP 70 66.507 1.028 -6.191
464 H CYS 71 H CYS 71 69.998 1.141 -4.503
465 HA CYS 71 HA CYS 71 68.585 3.070 -2.844
466 1HB CYS 71 2HB CYS 71 70.596 1.101 -1.820
467 2HB CYS 71 1HB CYS 71 70.520 2.711 -1.116
468 H GLY 72 H GLY 72 71.808 1.909 -3.792
469 1HA GLY 72 2HA GLY 72 73.425 3.166 -4.975
470 2HA GLY 72 1HA GLY 72 72.537 4.633 -4.591
471 H ASP 73 H ASP 73 72.627 2.887 -1.816
472 HA ASP 73 HA ASP 73 74.903 4.466 -0.814
473 1HB ASP 73 2HB ASP 73 72.679 3.152 0.775
474 2HB ASP 73 1HB ASP 73 73.872 4.290 1.381
475 H ASN 74 H ASN 74 75.231 1.950 -2.190
476 HA ASN 74 HA ASN 74 76.450 0.034 -2.055
477 1HB ASN 74 2HB ASN 74 77.281 1.287 0.563
478 2HB ASN 74 1HB ASN 74 77.905 -0.268 0.032
479 1HD2 ASN 74 1HD2 ASN 74 77.208 2.483 -2.059
480 2HD2 ASN 74 2HD2 ASN 74 78.845 2.763 -2.528
481 H SER 75 H SER 75 73.703 0.306 -0.938
482 HA SER 75 HA SER 75 73.537 -1.658 1.164
483 1HB SER 75 2HB SER 75 72.020 0.388 0.875
484 2HB SER 75 1HB SER 75 71.268 -0.505 -0.447
485 HG SER 75 HG SER 75 70.888 -2.203 1.166
486 H ASP 76 H ASP 76 71.899 -1.307 -1.830
487 HA ASP 76 HA ASP 76 71.505 -4.070 -2.362
488 1HB ASP 76 2HB ASP 76 70.747 -3.072 -4.601
489 2HB ASP 76 1HB ASP 76 69.877 -2.537 -3.167
490 H GLU 77 H GLU 77 73.268 -1.521 -4.015
491 HA GLU 77 HA GLU 77 75.685 -2.469 -4.559
492 1HB GLU 77 2HB GLU 77 75.741 -3.861 -6.457
493 2HB GLU 77 1HB GLU 77 74.484 -4.558 -5.452
494 1HG GLU 77 2HG GLU 77 73.989 -2.740 -7.804
495 2HG GLU 77 1HG GLU 77 73.943 -4.499 -7.867
496 H ALA 78 H ALA 78 72.854 -0.897 -5.589
497 HA ALA 78 HA ALA 78 72.452 1.046 -6.697
498 1HB ALA 78 1HB ALA 78 75.448 1.374 -6.792
499 2HB ALA 78 2HB ALA 78 74.395 1.948 -5.499
500 3HB ALA 78 3HB ALA 78 74.248 2.623 -7.121
501 H GLY 79 H GLY 79 72.322 -1.269 -8.108
502 1HA GLY 79 2HA GLY 79 73.814 -0.896 -10.599
503 2HA GLY 79 1HA GLY 79 72.828 -2.285 -10.174
504 H CYS 80 H CYS 80 70.650 -0.284 -9.343
505 HA CYS 80 HA CYS 80 69.435 -0.284 -11.980
506 1HB CYS 80 2HB CYS 80 68.204 -1.132 -9.992
507 2HB CYS 80 1HB CYS 80 68.215 0.496 -9.325
508 H SER 81 H SER 81 69.890 2.118 -9.359
509 HA SER 81 HA SER 81 69.210 4.279 -11.123
510 1HB SER 81 2HB SER 81 70.356 4.221 -8.328
511 2HB SER 81 1HB SER 81 69.995 5.714 -9.194
512 HG SER 81 HG SER 81 68.290 3.882 -8.004
513 H HIS 82 HN HIS 82 70.511 4.760 -12.748
514 HA HIS 82 HA HIS 82 73.279 5.470 -12.131
515 1HB HIS 82 2HB HIS 82 73.399 3.240 -13.139
516 2HB HIS 82 1HB HIS 82 72.415 3.778 -14.494
517 HD1 HIS 82 HD1 HIS 82 73.621 5.824 -15.931
518 HD2 HIS 82 HD2 HIS 82 76.052 3.408 -13.582
519 HE1 HIS 82 HE1 HIS 82 75.974 6.096 -16.828
Start of MODEL 3
1 1H SER 1 1HT SER 1 39.336 -9.083 3.480
2 2H SER 1 2HT SER 1 38.741 -9.801 2.068
3 3H SER 1 3HT SER 1 37.824 -8.626 2.871
4 HA SER 1 HA SER 1 40.437 -8.187 1.560
5 1HB SER 1 2HB SER 1 37.685 -7.218 0.741
6 2HB SER 1 1HB SER 1 39.196 -7.002 -0.146
7 HG SER 1 HG SER 1 38.141 -8.735 -1.052
8 H ALA 2 H ALA 2 40.625 -5.700 1.180
9 HA ALA 2 HA ALA 2 40.374 -4.429 3.756
10 1HB ALA 2 1HB ALA 2 42.411 -4.136 2.435
11 2HB ALA 2 2HB ALA 2 41.626 -2.592 2.756
12 3HB ALA 2 3HB ALA 2 41.472 -3.343 1.169
13 H ARG 3 H ARG 3 39.863 -2.728 0.779
14 HA ARG 3 HA ARG 3 37.026 -2.586 1.020
15 1HB ARG 3 2HB ARG 3 36.750 -0.221 1.410
16 2HB ARG 3 1HB ARG 3 37.640 -0.927 2.745
17 1HG ARG 3 2HG ARG 3 39.051 0.464 0.491
18 2HG ARG 3 1HG ARG 3 38.370 1.360 1.849
19 1HD ARG 3 2HD ARG 3 39.728 -0.427 3.251
20 2HD ARG 3 1HD ARG 3 40.680 -0.524 1.769
21 HE ARG 3 HE ARG 3 40.214 2.151 2.814
22 1HH1 ARG 3 1HH1 ARG 3 42.410 -0.556 2.559
23 2HH1 ARG 3 2HH1 ARG 3 43.785 0.346 3.097
24 1HH2 ARG 3 1HH2 ARG 3 42.027 3.343 3.559
25 2HH2 ARG 3 2HH2 ARG 3 43.567 2.557 3.678
26 H THR 4 H THR 4 39.999 -1.780 -0.514
27 HA THR 4 HA THR 4 38.687 -1.823 -3.093
28 HB THR 4 HB THR 4 40.551 0.484 -2.474
29 HG1 THR 4 HG1 THR 4 37.803 0.227 -1.981
30 1HG2 THR 4 1HG2 THR 4 39.540 1.468 -4.479
31 2HG2 THR 4 2HG2 THR 4 38.509 0.048 -4.659
32 3HG2 THR 4 3HG2 THR 4 40.258 -0.103 -4.833
33 H CYS 5 H CYS 5 40.386 -1.958 -4.837
34 HA CYS 5 HA CYS 5 42.361 -2.566 -5.752
35 1HB CYS 5 2HB CYS 5 43.406 -2.111 -2.962
36 2HB CYS 5 1HB CYS 5 44.434 -2.624 -4.298
37 HA PRO 6 HA PRO 6 42.327 -6.936 -5.253
38 1HB PRO 6 2HB PRO 6 44.267 -7.583 -6.995
39 2HB PRO 6 1HB PRO 6 42.736 -6.881 -7.535
40 1HG PRO 6 2HG PRO 6 45.395 -5.566 -7.143
41 2HG PRO 6 1HG PRO 6 44.234 -5.369 -8.468
42 1HD PRO 6 2HD PRO 6 44.464 -3.626 -6.370
43 2HD PRO 6 1HD PRO 6 42.973 -3.863 -7.300
44 HA PRO 7 HA PRO 7 45.598 -8.528 -2.608
45 1HB PRO 7 2HB PRO 7 46.614 -10.662 -4.063
46 2HB PRO 7 1HB PRO 7 45.205 -10.729 -2.998
47 1HG PRO 7 2HG PRO 7 45.319 -10.435 -5.973
48 2HG PRO 7 1HG PRO 7 44.190 -11.370 -4.975
49 1HD PRO 7 2HD PRO 7 43.475 -9.017 -6.041
50 2HD PRO 7 1HD PRO 7 42.930 -9.504 -4.422
51 H ASN 8 H ASN 8 47.832 -8.495 -2.317
52 HA ASN 8 HA ASN 8 49.966 -7.791 -2.612
53 1HB ASN 8 2HB ASN 8 49.699 -9.376 -4.694
54 2HB ASN 8 1HB ASN 8 49.706 -7.865 -5.594
55 1HD2 ASN 8 1HD2 ASN 8 51.602 -6.627 -5.660
56 2HD2 ASN 8 2HD2 ASN 8 53.133 -7.273 -5.187
57 H GLN 9 H GLN 9 47.476 -6.060 -2.934
58 HA GLN 9 HA GLN 9 48.868 -3.653 -3.840
59 1HB GLN 9 2HB GLN 9 46.591 -4.854 -5.108
60 2HB GLN 9 1HB GLN 9 46.091 -3.342 -4.375
61 1HG GLN 9 2HG GLN 9 46.696 -2.898 -6.624
62 2HG GLN 9 1HG GLN 9 47.936 -2.204 -5.582
63 1HE2 GLN 9 1HE2 GLN 9 47.762 -5.628 -6.177
64 2HE2 GLN 9 2HE2 GLN 9 49.165 -5.737 -7.166
65 H PHE 10 H PHE 10 47.830 -1.705 -3.010
66 HA PHE 10 HA PHE 10 46.226 -2.138 -0.600
67 1HB PHE 10 2HB PHE 10 48.474 -1.800 0.215
68 2HB PHE 10 1HB PHE 10 48.703 -0.415 -0.844
69 HD1 PHE 10 HD1 PHE 10 48.712 1.618 0.217
70 HD2 PHE 10 HD2 PHE 10 46.226 -1.487 1.738
71 HE1 PHE 10 HE1 PHE 10 47.904 3.126 1.980
72 HE2 PHE 10 HE2 PHE 10 45.423 0.018 3.507
73 HZ PHE 10 HZ PHE 10 46.259 2.335 3.623
74 H SER 11 H SER 11 44.829 -0.436 -0.139
75 HA SER 11 HA SER 11 44.205 1.186 -2.445
76 1HB SER 11 2HB SER 11 41.911 1.190 -1.023
77 2HB SER 11 1HB SER 11 42.297 -0.021 -2.247
78 HG SER 11 HG SER 11 42.609 -1.480 -0.740
79 H CYS 12 H CYS 12 45.037 3.107 -2.140
80 HA CYS 12 HA CYS 12 45.237 4.418 0.344
81 1HB CYS 12 2HB CYS 12 46.655 5.010 -1.583
82 2HB CYS 12 1HB CYS 12 45.235 5.603 -2.438
83 H ALA 13 H ALA 13 44.025 6.134 1.145
84 HA ALA 13 HA ALA 13 41.542 5.753 1.779
85 1HB ALA 13 1HB ALA 13 42.459 8.518 1.048
86 2HB ALA 13 2HB ALA 13 42.889 7.663 2.532
87 3HB ALA 13 3HB ALA 13 41.207 8.087 2.215
88 H SER 14 H SER 14 40.191 4.813 0.411
89 HA SER 14 HA SER 14 38.561 4.556 -1.142
90 1HB SER 14 2HB SER 14 37.977 7.378 -0.237
91 2HB SER 14 1HB SER 14 36.825 6.255 -0.964
92 HG SER 14 HG SER 14 37.060 6.473 1.497
93 H GLY 15 H GLY 15 40.189 4.544 -2.932
94 1HA GLY 15 2HA GLY 15 39.116 5.355 -5.197
95 2HA GLY 15 1HA GLY 15 39.857 6.860 -4.685
96 H ARG 16 H ARG 16 42.248 5.692 -3.567
97 HA ARG 16 HA ARG 16 43.562 5.456 -6.160
98 1HB ARG 16 2HB ARG 16 44.701 6.099 -3.436
99 2HB ARG 16 1HB ARG 16 45.656 5.969 -4.906
100 1HG ARG 16 2HG ARG 16 45.307 8.264 -4.615
101 2HG ARG 16 1HG ARG 16 44.148 7.790 -5.857
102 1HD ARG 16 2HD ARG 16 42.548 7.462 -3.810
103 2HD ARG 16 1HD ARG 16 43.675 8.559 -3.015
104 HE ARG 16 HE ARG 16 43.070 9.806 -5.365
105 1HH1 ARG 16 1HH1 ARG 16 41.210 8.580 -2.661
106 2HH1 ARG 16 2HH1 ARG 16 39.881 9.659 -2.920
107 1HH2 ARG 16 1HH2 ARG 16 41.328 11.242 -5.719
108 2HH2 ARG 16 2HH2 ARG 16 39.959 11.201 -4.646
109 H CYS 17 H CYS 17 45.464 3.998 -6.321
110 HA CYS 17 HA CYS 17 45.125 1.532 -4.803
111 1HB CYS 17 2HB CYS 17 43.769 1.729 -7.122
112 2HB CYS 17 1HB CYS 17 45.333 1.228 -7.759
113 H ILE 18 H ILE 18 47.070 1.019 -4.146
114 HA ILE 18 HA ILE 18 49.377 1.654 -5.861
115 HB ILE 18 HB ILE 18 50.635 2.336 -3.915
116 1HG1 ILE 18 2HG1 ILE 18 48.873 2.537 -1.805
117 2HG1 ILE 18 1HG1 ILE 18 48.475 0.971 -2.499
118 1HG2 ILE 18 1HG2 ILE 18 47.889 3.576 -3.765
119 2HG2 ILE 18 2HG2 ILE 18 49.164 4.055 -4.893
120 3HG2 ILE 18 3HG2 ILE 18 49.386 4.285 -3.156
121 1HD1 ILE 18 1HD1 ILE 18 50.819 0.297 -2.283
122 2HD1 ILE 18 2HD1 ILE 18 50.105 0.739 -0.732
123 3HD1 ILE 18 3HD1 ILE 18 51.188 1.860 -1.555
124 HA PRO 19 HA PRO 19 50.438 -2.619 -5.000
125 1HB PRO 19 2HB PRO 19 53.283 -1.976 -5.042
126 2HB PRO 19 1HB PRO 19 52.339 -2.955 -6.172
127 1HG PRO 19 2HG PRO 19 53.368 -0.518 -6.806
128 2HG PRO 19 1HG PRO 19 51.899 -1.178 -7.543
129 1HD PRO 19 2HD PRO 19 52.184 0.878 -5.389
130 2HD PRO 19 1HD PRO 19 51.004 0.789 -6.714
131 H ILE 20 H ILE 20 50.481 -3.598 -3.054
132 HA ILE 20 HA ILE 20 50.656 -2.023 -0.733
133 HB ILE 20 HB ILE 20 49.334 -4.130 -1.061
134 1HG1 ILE 20 2HG1 ILE 20 50.979 -3.975 1.461
135 2HG1 ILE 20 1HG1 ILE 20 49.561 -2.992 1.114
136 1HG2 ILE 20 1HG2 ILE 20 50.405 -6.254 -0.424
137 2HG2 ILE 20 2HG2 ILE 20 51.963 -5.432 -0.389
138 3HG2 ILE 20 3HG2 ILE 20 51.078 -5.578 -1.907
139 1HD1 ILE 20 1HD1 ILE 20 49.604 -5.984 1.391
140 2HD1 ILE 20 2HD1 ILE 20 48.183 -4.999 1.056
141 3HD1 ILE 20 3HD1 ILE 20 49.022 -4.835 2.596
142 H SER 21 H SER 21 52.058 -2.273 1.094
143 HA SER 21 HA SER 21 54.062 -2.444 2.170
144 1HB SER 21 2HB SER 21 54.329 -4.589 0.664
145 2HB SER 21 1HB SER 21 55.463 -3.573 -0.221
146 HG SER 21 HG SER 21 56.087 -3.226 2.280
147 H TRP 22 H TRP 22 53.175 -0.645 -0.295
148 HA TRP 22 HA TRP 22 55.590 1.027 -0.249
149 1HB TRP 22 2HB TRP 22 52.934 1.303 -1.653
150 2HB TRP 22 1HB TRP 22 54.142 2.581 -1.654
151 HD1 TRP 22 HD1 TRP 22 55.361 -0.990 -1.968
152 HE1 TRP 22 HE1 TRP 22 56.229 -1.371 -4.352
153 HE3 TRP 22 HE3 TRP 22 53.749 3.355 -4.110
154 HZ2 TRP 22 HZ2 TRP 22 56.247 -0.002 -6.831
155 HZ3 TRP 22 HZ3 TRP 22 54.239 3.748 -6.498
156 HH2 TRP 22 HH2 TRP 22 55.457 2.103 -7.824
157 H THR 23 H THR 23 53.428 0.444 2.010
158 HA THR 23 HA THR 23 52.529 3.203 2.376
159 HB THR 23 HB THR 23 50.607 2.022 1.885
160 HG1 THR 23 HG1 THR 23 50.761 3.013 4.199
161 1HG2 THR 23 1HG2 THR 23 51.425 -0.220 1.839
162 2HG2 THR 23 2HG2 THR 23 50.013 -0.185 2.895
163 3HG2 THR 23 3HG2 THR 23 51.632 -0.248 3.587
164 H CYS 24 H CYS 24 51.860 0.961 4.849
165 HA CYS 24 HA CYS 24 53.079 2.594 6.805
166 1HB CYS 24 2HB CYS 24 51.805 -0.120 7.073
167 2HB CYS 24 1HB CYS 24 52.060 1.046 8.369
168 H ASP 25 H ASP 25 55.235 1.855 5.372
169 HA ASP 25 HA ASP 25 56.729 0.213 7.189
170 1HB ASP 25 2HB ASP 25 57.446 -1.395 5.339
171 2HB ASP 25 1HB ASP 25 55.880 -1.647 6.088
172 H LEU 26 H LEU 26 56.942 2.880 6.285
173 HA LEU 26 HA LEU 26 58.680 4.314 6.071
174 1HB LEU 26 2HB LEU 26 60.404 1.855 5.708
175 2HB LEU 26 1HB LEU 26 60.998 3.482 5.974
176 HG LEU 26 HG LEU 26 59.378 1.855 7.947
177 1HD1 LEU 26 1HD1 LEU 26 61.462 1.841 9.248
178 2HD1 LEU 26 2HD1 LEU 26 62.290 2.632 7.908
179 3HD1 LEU 26 3HD1 LEU 26 61.635 1.010 7.703
180 1HD2 LEU 26 1HD2 LEU 26 60.671 4.564 8.257
181 2HD2 LEU 26 2HD2 LEU 26 59.807 3.663 9.505
182 3HD2 LEU 26 3HD2 LEU 26 58.940 4.270 8.095
183 H ASP 27 H ASP 27 57.157 3.077 3.781
184 HA ASP 27 HA ASP 27 58.921 4.029 1.617
185 1HB ASP 27 2HB ASP 27 57.798 1.640 1.617
186 2HB ASP 27 1HB ASP 27 56.363 2.534 1.125
187 H ASP 28 H ASP 28 56.770 4.689 -0.231
188 HA ASP 28 HA ASP 28 55.123 6.523 1.315
189 1HB ASP 28 2HB ASP 28 55.786 8.543 0.238
190 2HB ASP 28 1HB ASP 28 57.241 7.770 0.844
191 H ASP 29 H ASP 29 53.148 6.314 0.660
192 HA ASP 29 HA ASP 29 52.643 6.763 -2.164
193 1HB ASP 29 2HB ASP 29 50.815 5.172 -2.299
194 2HB ASP 29 1HB ASP 29 52.297 4.345 -1.859
195 H CYS 30 H CYS 30 50.251 6.165 0.324
196 HA CYS 30 HA CYS 30 50.047 8.796 1.261
197 1HB CYS 30 2HB CYS 30 47.654 9.154 0.386
198 2HB CYS 30 1HB CYS 30 48.997 9.547 -0.686
199 H GLY 31 H GLY 31 48.765 5.592 0.825
200 1HA GLY 31 2HA GLY 31 47.651 4.205 2.256
201 2HA GLY 31 1HA GLY 31 48.252 5.235 3.547
202 H ASP 32 H ASP 32 47.014 6.822 4.362
203 HA ASP 32 HA ASP 32 44.300 7.217 3.325
204 1HB ASP 32 2HB ASP 32 44.907 6.174 6.098
205 2HB ASP 32 1HB ASP 32 43.390 6.972 5.701
206 H ARG 33 H ARG 33 46.704 8.763 3.419
207 HA ARG 33 HA ARG 33 47.561 10.786 3.989
208 1HB ARG 33 2HB ARG 33 45.185 11.599 3.688
209 2HB ARG 33 1HB ARG 33 44.953 11.360 5.416
210 1HG ARG 33 2HG ARG 33 46.780 12.952 5.852
211 2HG ARG 33 1HG ARG 33 46.917 13.229 4.116
212 1HD ARG 33 2HD ARG 33 44.476 13.754 5.805
213 2HD ARG 33 1HD ARG 33 45.592 14.978 5.203
214 HE ARG 33 HE ARG 33 44.408 13.345 3.142
215 1HH1 ARG 33 1HH1 ARG 33 44.025 16.197 5.113
216 2HH1 ARG 33 2HH1 ARG 33 42.957 16.993 4.005
217 1HH2 ARG 33 1HH2 ARG 33 43.001 14.375 1.651
218 2HH2 ARG 33 2HH2 ARG 33 42.372 15.947 2.017
219 H SER 34 H SER 34 47.402 8.343 5.610
220 HA SER 34 HA SER 34 48.753 9.307 7.971
221 1HB SER 34 2HB SER 34 46.276 7.558 8.180
222 2HB SER 34 1HB SER 34 47.348 7.976 9.517
223 HG SER 34 HG SER 34 46.585 10.208 8.249
224 H ASP 35 H ASP 35 49.248 7.902 5.472
225 HA ASP 35 HA ASP 35 49.339 5.131 5.612
226 1HB ASP 35 2HB ASP 35 51.275 5.393 3.962
227 2HB ASP 35 1HB ASP 35 49.741 6.138 3.520
228 H GLU 36 H GLU 36 51.401 7.410 7.122
229 HA GLU 36 HA GLU 36 53.304 5.282 7.769
230 1HB GLU 36 2HB GLU 36 53.587 8.169 7.312
231 2HB GLU 36 1HB GLU 36 54.539 7.530 8.649
232 1HG GLU 36 2HG GLU 36 54.571 6.568 5.803
233 2HG GLU 36 1HG GLU 36 55.839 7.485 6.623
234 H SER 37 H SER 37 52.478 4.285 9.457
235 HA SER 37 HA SER 37 52.465 3.759 11.656
236 1HB SER 37 2HB SER 37 54.563 5.030 11.745
237 2HB SER 37 1HB SER 37 53.658 6.512 12.040
238 HG SER 37 HG SER 37 52.784 5.249 13.932
239 H ALA 38 H ALA 38 50.382 5.857 10.356
240 HA ALA 38 HA ALA 38 49.062 6.366 12.931
241 1HB ALA 38 1HB ALA 38 48.684 7.897 10.367
242 2HB ALA 38 2HB ALA 38 49.704 8.402 11.714
243 3HB ALA 38 3HB ALA 38 47.959 8.267 11.931
244 H SER 39 H SER 39 48.834 4.630 10.042
245 HA SER 39 HA SER 39 45.968 4.162 10.472
246 1HB SER 39 2HB SER 39 46.119 3.089 8.169
247 2HB SER 39 1HB SER 39 46.366 4.836 8.221
248 HG SER 39 HG SER 39 47.951 3.217 7.081
249 H CYS 40 H CYS 40 48.977 2.429 9.708
250 HA CYS 40 HA CYS 40 47.744 -0.069 10.545
251 1HB CYS 40 2HB CYS 40 50.526 0.310 9.450
252 2HB CYS 40 1HB CYS 40 49.581 -1.173 9.514
253 H ALA 41 H ALA 41 48.284 -1.125 12.375
254 HA ALA 41 HA ALA 41 49.955 0.089 14.334
255 1HB ALA 41 1HB ALA 41 49.590 -1.960 15.610
256 2HB ALA 41 2HB ALA 41 48.876 -2.726 14.191
257 3HB ALA 41 3HB ALA 41 48.081 -1.344 14.942
258 H TYR 42 H TYR 42 51.895 0.429 13.391
259 HA TYR 42 HA TYR 42 53.401 -0.916 11.677
260 1HB TYR 42 2HB TYR 42 53.865 1.080 13.637
261 2HB TYR 42 1HB TYR 42 55.224 -0.039 13.674
262 HD1 TYR 42 HD1 TYR 42 56.988 0.425 12.294
263 HD2 TYR 42 HD2 TYR 42 53.096 1.692 11.147
264 HE1 TYR 42 HE1 TYR 42 57.933 1.473 10.289
265 HE2 TYR 42 HE2 TYR 42 54.017 2.746 9.134
266 HH TYR 42 HH TYR 42 56.255 3.679 8.389
267 HA PRO 43 HA PRO 43 54.959 -4.582 13.767
268 1HB PRO 43 2HB PRO 43 54.959 -6.171 11.614
269 2HB PRO 43 1HB PRO 43 53.466 -5.873 12.517
270 1HG PRO 43 2HG PRO 43 54.367 -4.747 9.910
271 2HG PRO 43 1HG PRO 43 52.732 -5.155 10.450
272 1HD PRO 43 2HD PRO 43 53.885 -2.595 10.423
273 2HD PRO 43 1HD PRO 43 52.394 -3.061 11.261
274 H THR 44 H THR 44 55.770 -2.417 11.416
275 HA THR 44 HA THR 44 57.688 -1.553 10.659
276 HB THR 44 HB THR 44 59.092 -3.503 12.475
277 HG1 THR 44 HG1 THR 44 58.045 -2.175 13.834
278 1HG2 THR 44 1HG2 THR 44 61.006 -2.060 12.171
279 2HG2 THR 44 2HG2 THR 44 60.050 -0.959 11.173
280 3HG2 THR 44 3HG2 THR 44 60.414 -2.586 10.587
281 H CYS 45 H CYS 45 57.323 -2.263 8.597
282 HA CYS 45 HA CYS 45 58.303 -2.824 6.629
283 1HB CYS 45 2HB CYS 45 60.429 -4.223 8.249
284 2HB CYS 45 1HB CYS 45 60.537 -3.726 6.566
285 H PHE 46 H PHE 46 57.850 -4.327 5.203
286 HA PHE 46 HA PHE 46 57.711 -7.122 6.020
287 1HB PHE 46 2HB PHE 46 55.443 -6.797 4.405
288 2HB PHE 46 1HB PHE 46 55.481 -7.210 6.112
289 HD1 PHE 46 HD1 PHE 46 55.546 -5.196 7.775
290 HD2 PHE 46 HD2 PHE 46 54.370 -4.893 3.694
291 HE1 PHE 46 HE1 PHE 46 54.329 -3.122 8.287
292 HE2 PHE 46 HE2 PHE 46 53.159 -2.816 4.186
293 HZ PHE 46 HZ PHE 46 53.125 -1.926 6.490
294 HA PRO 47 HA PRO 47 59.510 -7.565 2.028
295 1HB PRO 47 2HB PRO 47 58.956 -10.405 2.145
296 2HB PRO 47 1HB PRO 47 60.496 -9.568 2.345
297 1HG PRO 47 2HG PRO 47 59.235 -10.856 4.384
298 2HG PRO 47 1HG PRO 47 60.285 -9.447 4.624
299 1HD PRO 47 2HD PRO 47 57.290 -9.582 4.509
300 2HD PRO 47 1HD PRO 47 58.336 -8.681 5.631
301 H LEU 48 H LEU 48 56.653 -6.891 1.989
302 HA LEU 48 HA LEU 48 55.356 -8.690 0.163
303 1HB LEU 48 2HB LEU 48 54.687 -5.780 0.662
304 2HB LEU 48 1HB LEU 48 53.646 -6.990 -0.062
305 HG LEU 48 HG LEU 48 54.575 -7.010 2.816
306 1HD1 LEU 48 1HD1 LEU 48 52.258 -6.410 3.336
307 2HD1 LEU 48 2HD1 LEU 48 51.905 -6.273 1.613
308 3HD1 LEU 48 3HD1 LEU 48 53.044 -5.159 2.374
309 1HD2 LEU 48 1HD2 LEU 48 54.143 -9.245 1.909
310 2HD2 LEU 48 2HD2 LEU 48 52.545 -8.721 1.385
311 3HD2 LEU 48 3HD2 LEU 48 52.932 -8.779 3.104
312 H THR 49 H THR 49 57.085 -5.628 -0.080
313 HA THR 49 HA THR 49 58.061 -6.302 -2.689
314 HB THR 49 HB THR 49 55.755 -5.396 -3.165
315 HG1 THR 49 HG1 THR 49 57.136 -5.217 -4.852
316 1HG2 THR 49 1HG2 THR 49 56.941 -2.795 -2.191
317 2HG2 THR 49 2HG2 THR 49 55.647 -3.701 -1.400
318 3HG2 THR 49 3HG2 THR 49 55.381 -2.983 -2.991
319 H GLN 50 H GLN 50 59.424 -5.953 -0.401
320 HA GLN 50 HA GLN 50 60.600 -3.274 -0.584
321 1HB GLN 50 2HB GLN 50 60.083 -4.864 1.938
322 2HB GLN 50 1HB GLN 50 61.021 -3.380 1.863
323 1HG GLN 50 2HG GLN 50 58.845 -2.386 0.843
324 2HG GLN 50 1HG GLN 50 58.085 -3.786 1.608
325 1HE2 GLN 50 1HE2 GLN 50 59.527 -0.717 2.083
326 2HE2 GLN 50 2HE2 GLN 50 59.279 -0.618 3.792
327 H PHE 51 H PHE 51 62.745 -3.169 0.384
328 HA PHE 51 HA PHE 51 64.204 -5.717 0.505
329 1HB PHE 51 2HB PHE 51 64.762 -4.588 -1.626
330 2HB PHE 51 1HB PHE 51 65.192 -3.129 -0.743
331 HD1 PHE 51 HD1 PHE 51 67.370 -2.805 -0.006
332 HD2 PHE 51 HD2 PHE 51 66.106 -6.709 -1.122
333 HE1 PHE 51 HE1 PHE 51 69.689 -3.608 0.200
334 HE2 PHE 51 HE2 PHE 51 68.417 -7.525 -0.915
335 HZ PHE 51 HZ PHE 51 70.209 -5.969 -0.255
336 H THR 52 H THR 52 66.151 -5.491 1.942
337 HA THR 52 HA THR 52 65.501 -3.582 4.070
338 HB THR 52 HB THR 52 67.140 -6.114 4.304
339 HG1 THR 52 HG1 THR 52 64.586 -5.942 5.413
340 1HG2 THR 52 1HG2 THR 52 67.590 -4.458 6.049
341 2HG2 THR 52 2HG2 THR 52 66.715 -5.839 6.709
342 3HG2 THR 52 3HG2 THR 52 65.862 -4.332 6.384
343 H CYS 53 H CYS 53 66.656 -1.804 3.505
344 HA CYS 53 HA CYS 53 69.287 -1.651 2.613
345 1HB CYS 53 2HB CYS 53 67.491 0.200 3.046
346 2HB CYS 53 1HB CYS 53 68.229 0.277 4.643
347 H ASN 54 H ASN 54 71.183 -2.160 3.537
348 HA ASN 54 HA ASN 54 71.214 -3.668 5.889
349 1HB ASN 54 2HB ASN 54 73.398 -4.122 5.403
350 2HB ASN 54 1HB ASN 54 72.895 -3.492 3.840
351 1HD2 ASN 54 1HD2 ASN 54 73.344 -1.239 3.407
352 2HD2 ASN 54 2HD2 ASN 54 74.738 -0.504 4.122
353 H ASN 55 H ASN 55 71.696 -0.237 5.420
354 HA ASN 55 HA ASN 55 72.807 0.159 8.017
355 1HB ASN 55 2HB ASN 55 71.964 1.991 5.809
356 2HB ASN 55 1HB ASN 55 72.302 2.644 7.411
357 1HD2 ASN 55 1HD2 ASN 55 74.090 3.782 6.611
358 2HD2 ASN 55 2HD2 ASN 55 75.571 2.985 6.225
359 H GLY 56 H GLY 56 69.921 -0.953 7.557
360 1HA GLY 56 2HA GLY 56 68.632 -1.172 9.578
361 2HA GLY 56 1HA GLY 56 68.975 0.510 9.935
362 H ARG 57 H ARG 57 68.277 0.670 6.794
363 HA ARG 57 HA ARG 57 65.529 1.464 7.371
364 1HB ARG 57 2HB ARG 57 67.070 1.733 4.792
365 2HB ARG 57 1HB ARG 57 65.564 2.532 5.206
366 1HG ARG 57 2HG ARG 57 66.574 4.059 6.554
367 2HG ARG 57 1HG ARG 57 67.938 2.990 6.927
368 1HD ARG 57 2HD ARG 57 68.581 3.207 4.491
369 2HD ARG 57 1HD ARG 57 67.401 4.516 4.392
370 HE ARG 57 HE ARG 57 68.770 5.591 6.215
371 1HH1 ARG 57 1HH1 ARG 57 70.152 3.341 3.911
372 2HH1 ARG 57 2HH1 ARG 57 71.762 3.994 4.030
373 1HH2 ARG 57 1HH2 ARG 57 70.913 6.445 6.380
374 2HH2 ARG 57 2HH2 ARG 57 72.191 5.733 5.430
375 H CYS 58 H CYS 58 63.733 0.708 6.167
376 HA CYS 58 HA CYS 58 64.223 -1.655 4.495
377 1HB CYS 58 2HB CYS 58 61.539 -0.695 5.487
378 2HB CYS 58 1HB CYS 58 61.987 -2.305 4.928
379 H ILE 59 H ILE 59 64.166 -1.295 2.342
380 HA ILE 59 HA ILE 59 62.953 1.233 1.487
381 HB ILE 59 HB ILE 59 64.447 1.235 -0.449
382 1HG1 ILE 59 2HG1 ILE 59 65.878 -1.096 0.825
383 2HG1 ILE 59 1HG1 ILE 59 64.705 -1.291 -0.476
384 1HG2 ILE 59 1HG2 ILE 59 65.125 2.416 1.564
385 2HG2 ILE 59 2HG2 ILE 59 66.532 1.735 0.741
386 3HG2 ILE 59 3HG2 ILE 59 65.884 0.950 2.182
387 1HD1 ILE 59 1HD1 ILE 59 66.996 -1.292 -1.294
388 2HD1 ILE 59 2HD1 ILE 59 67.235 0.323 -0.628
389 3HD1 ILE 59 3HD1 ILE 59 66.076 0.070 -1.936
390 H ASN 60 H ASN 60 62.413 1.124 -0.983
391 HA ASN 60 HA ASN 60 60.432 -0.922 -1.323
392 1HB ASN 60 2HB ASN 60 60.428 1.546 -2.157
393 2HB ASN 60 1HB ASN 60 61.378 0.925 -3.503
394 1HD2 ASN 60 1HD2 ASN 60 58.307 1.205 -2.070
395 2HD2 ASN 60 2HD2 ASN 60 57.405 0.373 -3.301
396 H ILE 61 H ILE 61 60.448 -2.661 -2.799
397 HA ILE 61 HA ILE 61 63.053 -3.685 -3.374
398 HB ILE 61 HB ILE 61 60.953 -5.069 -2.826
399 1HG1 ILE 61 2HG1 ILE 61 62.770 -5.844 -5.122
400 2HG1 ILE 61 1HG1 ILE 61 63.149 -6.008 -3.412
401 1HG2 ILE 61 1HG2 ILE 61 59.742 -5.894 -4.820
402 2HG2 ILE 61 2HG2 ILE 61 60.584 -4.694 -5.800
403 3HG2 ILE 61 3HG2 ILE 61 59.477 -4.176 -4.532
404 1HD1 ILE 61 1HD1 ILE 61 61.352 -7.628 -3.161
405 2HD1 ILE 61 2HD1 ILE 61 62.504 -8.134 -4.398
406 3HD1 ILE 61 3HD1 ILE 61 60.949 -7.450 -4.868
407 H ASN 62 H ASN 62 60.850 -1.711 -5.038
408 HA ASN 62 HA ASN 62 61.643 -2.532 -7.707
409 1HB ASN 62 2HB ASN 62 59.294 -1.679 -6.852
410 2HB ASN 62 1HB ASN 62 59.986 -0.095 -7.168
411 1HD2 ASN 62 1HD2 ASN 62 61.548 -0.927 -9.457
412 2HD2 ASN 62 2HD2 ASN 62 60.426 -1.226 -10.736
413 H TRP 63 H TRP 63 63.523 -1.233 -5.727
414 HA TRP 63 HA TRP 63 64.317 1.065 -7.376
415 1HB TRP 63 2HB TRP 63 65.102 0.328 -4.552
416 2HB TRP 63 1HB TRP 63 65.831 1.646 -5.457
417 HD1 TRP 63 HD1 TRP 63 62.185 1.514 -6.118
418 HE1 TRP 63 HE1 TRP 63 60.963 3.319 -4.743
419 HE3 TRP 63 HE3 TRP 63 65.977 2.804 -2.955
420 HZ2 TRP 63 HZ2 TRP 63 61.545 5.058 -2.603
421 HZ3 TRP 63 HZ3 TRP 63 65.567 4.549 -1.262
422 HH2 TRP 63 HH2 TRP 63 63.394 5.653 -1.092
423 H ARG 64 H ARG 64 64.795 -2.102 -7.351
424 HA ARG 64 HA ARG 64 67.640 -2.206 -7.866
425 1HB ARG 64 2HB ARG 64 65.622 -4.099 -9.090
426 2HB ARG 64 1HB ARG 64 67.287 -4.418 -8.651
427 1HG ARG 64 2HG ARG 64 65.118 -3.928 -6.638
428 2HG ARG 64 1HG ARG 64 65.533 -5.524 -7.249
429 1HD ARG 64 2HD ARG 64 67.428 -3.663 -5.818
430 2HD ARG 64 1HD ARG 64 66.568 -5.000 -5.067
431 HE ARG 64 HE ARG 64 69.020 -5.155 -6.372
432 1HH1 ARG 64 1HH1 ARG 64 65.967 -6.887 -6.393
433 2HH1 ARG 64 2HH1 ARG 64 66.699 -8.416 -6.740
434 1HH2 ARG 64 1HH2 ARG 64 69.993 -7.152 -6.795
435 2HH2 ARG 64 2HH2 ARG 64 68.995 -8.570 -6.971
436 H CYS 65 H CYS 65 68.333 -0.862 -9.543
437 HA CYS 65 HA CYS 65 66.483 -0.563 -11.806
438 1HB CYS 65 2HB CYS 65 68.472 1.395 -10.690
439 2HB CYS 65 1HB CYS 65 67.606 1.638 -12.200
440 H ASP 66 H ASP 66 69.873 0.278 -11.511
441 HA ASP 66 HA ASP 66 70.238 -0.452 -14.277
442 1HB ASP 66 2HB ASP 66 72.504 0.553 -13.957
443 2HB ASP 66 1HB ASP 66 71.177 1.638 -13.561
444 H ASN 67 H ASN 67 71.664 -1.441 -11.174
445 HA ASN 67 HA ASN 67 72.362 -3.959 -12.456
446 1HB ASN 67 2HB ASN 67 74.118 -2.414 -10.547
447 2HB ASN 67 1HB ASN 67 74.426 -4.070 -11.057
448 1HD2 ASN 67 1HD2 ASN 67 74.388 -0.727 -12.005
449 2HD2 ASN 67 2HD2 ASN 67 75.282 -0.933 -13.471
450 H ASP 68 H ASP 68 72.232 -2.392 -9.242
451 HA ASP 68 HA ASP 68 70.453 -4.596 -8.456
452 1HB ASP 68 2HB ASP 68 72.887 -4.713 -7.495
453 2HB ASP 68 1HB ASP 68 72.330 -3.420 -6.433
454 H ASN 69 H ASN 69 70.847 -2.840 -5.741
455 HA ASN 69 HA ASN 69 68.253 -1.563 -6.308
456 1HB ASN 69 2HB ASN 69 68.793 -3.426 -4.476
457 2HB ASN 69 1HB ASN 69 69.289 -2.029 -3.537
458 1HD2 ASN 69 1HD2 ASN 69 67.190 -0.337 -4.777
459 2HD2 ASN 69 2HD2 ASN 69 65.728 -0.829 -3.993
460 H ASP 70 H ASP 70 68.310 0.052 -3.848
461 HA ASP 70 HA ASP 70 70.380 1.997 -4.433
462 1HB ASP 70 2HB ASP 70 68.148 2.218 -5.921
463 2HB ASP 70 1HB ASP 70 67.648 3.143 -4.505
464 H CYS 71 H CYS 71 71.092 2.634 -2.551
465 HA CYS 71 HA CYS 71 69.171 3.397 -0.474
466 1HB CYS 71 2HB CYS 71 71.380 1.434 -0.237
467 2HB CYS 71 1HB CYS 71 71.186 2.565 1.096
468 H GLY 72 H GLY 72 72.683 3.402 -1.150
469 1HA GLY 72 2HA GLY 72 73.472 5.741 -1.768
470 2HA GLY 72 1HA GLY 72 72.737 6.202 -0.241
471 H ASP 73 H ASP 73 73.587 3.945 1.311
472 HA ASP 73 HA ASP 73 76.406 4.724 1.486
473 1HB ASP 73 2HB ASP 73 76.018 4.144 4.004
474 2HB ASP 73 1HB ASP 73 75.545 5.711 3.365
475 H ASN 74 H ASN 74 76.551 2.842 0.009
476 HA ASN 74 HA ASN 74 77.641 0.878 -0.338
477 1HB ASN 74 2HB ASN 74 78.957 1.965 1.646
478 2HB ASN 74 1HB ASN 74 78.231 0.678 2.599
479 1HD2 ASN 74 1HD2 ASN 74 78.320 -1.329 0.508
480 2HD2 ASN 74 2HD2 ASN 74 79.984 -1.745 0.288
481 H SER 75 H SER 75 74.849 0.751 0.198
482 HA SER 75 HA SER 75 74.488 -1.721 1.684
483 1HB SER 75 2HB SER 75 72.873 0.228 1.830
484 2HB SER 75 1HB SER 75 72.403 -0.134 0.170
485 HG SER 75 HG SER 75 71.093 -1.538 0.985
486 H ASP 76 H ASP 76 72.205 -1.844 -0.543
487 HA ASP 76 HA ASP 76 72.893 -3.981 -2.091
488 1HB ASP 76 2HB ASP 76 71.314 -2.659 -3.792
489 2HB ASP 76 1HB ASP 76 70.687 -3.321 -2.278
490 H GLU 77 H GLU 77 73.071 -0.598 -3.120
491 HA GLU 77 HA GLU 77 75.533 -0.813 -4.491
492 1HB GLU 77 2HB GLU 77 74.437 -2.137 -6.115
493 2HB GLU 77 1HB GLU 77 73.005 -1.116 -6.091
494 1HG GLU 77 2HG GLU 77 74.357 0.705 -7.088
495 2HG GLU 77 1HG GLU 77 75.710 -0.418 -7.204
496 H ALA 78 H ALA 78 72.406 0.696 -4.919
497 HA ALA 78 HA ALA 78 71.703 2.832 -5.151
498 1HB ALA 78 1HB ALA 78 72.852 4.634 -4.020
499 2HB ALA 78 2HB ALA 78 74.280 3.623 -3.807
500 3HB ALA 78 3HB ALA 78 72.775 3.214 -2.980
501 H GLY 79 H GLY 79 71.924 2.463 -7.428
502 1HA GLY 79 2HA GLY 79 73.848 4.357 -8.609
503 2HA GLY 79 1HA GLY 79 73.659 2.753 -9.309
504 H CYS 80 H CYS 80 70.775 3.811 -8.023
505 HA CYS 80 HA CYS 80 69.709 4.253 -10.710
506 1HB CYS 80 2HB CYS 80 68.701 2.524 -9.250
507 2HB CYS 80 1HB CYS 80 68.303 3.766 -8.075
508 H SER 81 H SER 81 70.445 5.901 -7.788
509 HA SER 81 HA SER 81 68.631 8.073 -8.055
510 1HB SER 81 2HB SER 81 70.892 8.919 -6.589
511 2HB SER 81 1HB SER 81 69.352 8.346 -5.953
512 HG SER 81 HG SER 81 70.158 6.317 -5.743
513 H HIS 82 HN HIS 82 68.709 9.700 -9.460
514 HA HIS 82 HA HIS 82 71.283 10.493 -10.610
515 1HB HIS 82 2HB HIS 82 70.263 8.907 -12.172
516 2HB HIS 82 1HB HIS 82 68.777 9.846 -12.187
517 HD1 HIS 82 HD1 HIS 82 69.059 12.342 -13.278
518 HD2 HIS 82 HD2 HIS 82 72.072 9.588 -14.047
519 HE1 HIS 82 HE1 HIS 82 70.302 13.197 -15.313
Start of MODEL 4
1 1H SER 1 1HT SER 1 41.137 -4.528 0.216
2 2H SER 1 2HT SER 1 41.995 -5.259 -1.042
3 3H SER 1 3HT SER 1 42.623 -5.270 0.530
4 HA SER 1 HA SER 1 41.715 -7.413 -0.070
5 1HB SER 1 2HB SER 1 39.999 -6.050 2.017
6 2HB SER 1 1HB SER 1 40.467 -7.752 1.951
7 HG SER 1 HG SER 1 42.202 -7.221 3.003
8 H ALA 2 H ALA 2 38.822 -5.507 0.729
9 HA ALA 2 HA ALA 2 37.613 -6.191 -1.844
10 1HB ALA 2 1HB ALA 2 36.904 -7.977 -0.323
11 2HB ALA 2 2HB ALA 2 35.542 -6.947 -0.770
12 3HB ALA 2 3HB ALA 2 36.299 -6.772 0.814
13 H ARG 3 H ARG 3 36.253 -4.600 -2.589
14 HA ARG 3 HA ARG 3 35.469 -2.482 -2.859
15 1HB ARG 3 2HB ARG 3 34.034 -2.762 -0.946
16 2HB ARG 3 1HB ARG 3 35.377 -2.526 0.163
17 1HG ARG 3 2HG ARG 3 35.435 -0.189 -1.240
18 2HG ARG 3 1HG ARG 3 33.708 -0.551 -1.224
19 1HD ARG 3 2HD ARG 3 33.777 -0.795 1.207
20 2HD ARG 3 1HD ARG 3 35.504 -0.438 1.193
21 HE ARG 3 HE ARG 3 33.335 1.451 0.607
22 1HH1 ARG 3 1HH1 ARG 3 36.729 0.832 1.238
23 2HH1 ARG 3 2HH1 ARG 3 37.108 2.505 1.492
24 1HH2 ARG 3 1HH2 ARG 3 33.849 3.659 0.957
25 2HH2 ARG 3 2HH2 ARG 3 35.485 4.109 1.338
26 H THR 4 H THR 4 37.524 -2.341 0.020
27 HA THR 4 HA THR 4 38.936 -0.028 -0.937
28 HB THR 4 HB THR 4 39.648 -1.791 1.416
29 HG1 THR 4 HG1 THR 4 38.129 -0.742 2.595
30 1HG2 THR 4 1HG2 THR 4 41.323 -0.109 0.825
31 2HG2 THR 4 2HG2 THR 4 40.541 0.300 2.353
32 3HG2 THR 4 3HG2 THR 4 40.090 1.151 0.874
33 H CYS 5 H CYS 5 39.533 -1.194 -2.955
34 HA CYS 5 HA CYS 5 41.192 -1.901 -4.324
35 1HB CYS 5 2HB CYS 5 42.546 -0.982 -2.058
36 2HB CYS 5 1HB CYS 5 43.236 -2.574 -2.362
37 HA PRO 6 HA PRO 6 40.845 -6.341 -4.564
38 1HB PRO 6 2HB PRO 6 43.694 -6.311 -5.458
39 2HB PRO 6 1HB PRO 6 42.279 -7.048 -6.219
40 1HG PRO 6 2HG PRO 6 43.314 -4.804 -7.182
41 2HG PRO 6 1HG PRO 6 41.554 -5.040 -7.126
42 1HD PRO 6 2HD PRO 6 43.316 -3.389 -5.367
43 2HD PRO 6 1HD PRO 6 41.670 -3.057 -5.948
44 HA PRO 7 HA PRO 7 42.438 -8.685 -1.162
45 1HB PRO 7 2HB PRO 7 44.138 -10.226 -3.086
46 2HB PRO 7 1HB PRO 7 43.112 -10.816 -1.772
47 1HG PRO 7 2HG PRO 7 42.281 -10.928 -4.297
48 2HG PRO 7 1HG PRO 7 41.161 -10.519 -2.987
49 1HD PRO 7 2HD PRO 7 42.337 -8.779 -5.080
50 2HD PRO 7 1HD PRO 7 40.799 -8.621 -4.211
51 H ASN 8 H ASN 8 45.243 -8.613 -3.389
52 HA ASN 8 HA ASN 8 47.014 -8.057 -1.159
53 1HB ASN 8 2HB ASN 8 47.518 -9.703 -3.044
54 2HB ASN 8 1HB ASN 8 47.772 -8.299 -4.074
55 1HD2 ASN 8 1HD2 ASN 8 49.657 -7.157 -3.899
56 2HD2 ASN 8 2HD2 ASN 8 50.969 -7.626 -2.880
57 H GLN 9 H GLN 9 45.081 -6.046 -1.942
58 HA GLN 9 HA GLN 9 46.919 -3.889 -2.681
59 1HB GLN 9 2HB GLN 9 44.458 -4.719 -4.028
60 2HB GLN 9 1HB GLN 9 44.507 -3.009 -3.634
61 1HG GLN 9 2HG GLN 9 45.440 -2.950 -5.684
62 2HG GLN 9 1HG GLN 9 46.890 -3.166 -4.708
63 1HE2 GLN 9 1HE2 GLN 9 47.880 -5.218 -4.666
64 2HE2 GLN 9 2HE2 GLN 9 47.579 -6.389 -5.894
65 H PHE 10 H PHE 10 46.261 -1.802 -2.021
66 HA PHE 10 HA PHE 10 44.392 -1.670 0.228
67 1HB PHE 10 2HB PHE 10 46.506 -1.947 1.305
68 2HB PHE 10 1HB PHE 10 47.299 -0.844 0.188
69 HD1 PHE 10 HD1 PHE 10 44.834 -1.017 2.948
70 HD2 PHE 10 HD2 PHE 10 47.447 1.431 0.647
71 HE1 PHE 10 HE1 PHE 10 44.480 0.838 4.524
72 HE2 PHE 10 HE2 PHE 10 47.093 3.289 2.215
73 HZ PHE 10 HZ PHE 10 45.620 2.993 4.156
74 H SER 11 H SER 11 43.189 0.154 0.152
75 HA SER 11 HA SER 11 43.799 2.075 -1.923
76 1HB SER 11 2HB SER 11 41.206 1.395 -0.548
77 2HB SER 11 1HB SER 11 41.386 2.763 -1.644
78 HG SER 11 HG SER 11 41.720 1.397 -3.313
79 H CYS 12 H CYS 12 44.716 3.880 -1.283
80 HA CYS 12 HA CYS 12 44.604 5.050 1.249
81 1HB CYS 12 2HB CYS 12 46.229 5.952 -0.229
82 2HB CYS 12 1HB CYS 12 45.039 6.222 -1.497
83 H ALA 13 H ALA 13 43.330 6.909 1.943
84 HA ALA 13 HA ALA 13 40.888 6.257 2.577
85 1HB ALA 13 1HB ALA 13 41.981 8.318 3.311
86 2HB ALA 13 2HB ALA 13 40.281 8.576 2.912
87 3HB ALA 13 3HB ALA 13 41.543 9.083 1.785
88 H SER 14 H SER 14 39.792 5.080 1.113
89 HA SER 14 HA SER 14 38.542 4.556 -0.741
90 1HB SER 14 2HB SER 14 36.883 6.826 0.352
91 2HB SER 14 1HB SER 14 36.322 5.357 -0.451
92 HG SER 14 HG SER 14 37.319 5.697 2.156
93 H GLY 15 H GLY 15 40.105 5.334 -2.329
94 1HA GLY 15 2HA GLY 15 38.830 6.725 -4.390
95 2HA GLY 15 1HA GLY 15 39.873 7.868 -3.554
96 H ARG 16 H ARG 16 41.987 6.249 -2.879
97 HA ARG 16 HA ARG 16 43.225 5.864 -5.491
98 1HB ARG 16 2HB ARG 16 44.451 5.830 -2.721
99 2HB ARG 16 1HB ARG 16 45.343 5.723 -4.230
100 1HG ARG 16 2HG ARG 16 45.567 7.947 -3.493
101 2HG ARG 16 1HG ARG 16 44.402 7.988 -4.816
102 1HD ARG 16 2HD ARG 16 42.563 8.100 -3.231
103 2HD ARG 16 1HD ARG 16 43.680 7.965 -1.875
104 HE ARG 16 HE ARG 16 44.458 10.178 -3.357
105 1HH1 ARG 16 1HH1 ARG 16 41.666 9.138 -1.517
106 2HH1 ARG 16 2HH1 ARG 16 41.195 10.743 -1.080
107 1HH2 ARG 16 1HH2 ARG 16 43.851 12.310 -2.759
108 2HH2 ARG 16 2HH2 ARG 16 42.446 12.550 -1.774
109 H CYS 17 H CYS 17 44.977 3.887 -5.252
110 HA CYS 17 HA CYS 17 44.004 1.593 -3.877
111 1HB CYS 17 2HB CYS 17 42.411 2.098 -5.928
112 2HB CYS 17 1HB CYS 17 43.691 1.315 -6.844
113 H ILE 18 H ILE 18 46.072 1.217 -3.272
114 HA ILE 18 HA ILE 18 48.100 0.827 -5.375
115 HB ILE 18 HB ILE 18 49.738 1.587 -3.857
116 1HG1 ILE 18 2HG1 ILE 18 47.777 1.382 -1.568
117 2HG1 ILE 18 1HG1 ILE 18 48.837 0.052 -2.025
118 1HG2 ILE 18 1HG2 ILE 18 48.238 3.407 -4.555
119 2HG2 ILE 18 2HG2 ILE 18 48.898 3.694 -2.944
120 3HG2 ILE 18 3HG2 ILE 18 47.237 3.123 -3.130
121 1HD1 ILE 18 1HD1 ILE 18 49.800 1.271 -0.215
122 2HD1 ILE 18 2HD1 ILE 18 49.674 2.776 -1.123
123 3HD1 ILE 18 3HD1 ILE 18 50.769 1.505 -1.672
124 HA PRO 19 HA PRO 19 48.455 -3.397 -3.774
125 1HB PRO 19 2HB PRO 19 51.388 -3.245 -3.913
126 2HB PRO 19 1HB PRO 19 50.278 -4.260 -4.836
127 1HG PRO 19 2HG PRO 19 51.605 -2.223 -5.974
128 2HG PRO 19 1HG PRO 19 49.957 -2.657 -6.470
129 1HD PRO 19 2HD PRO 19 50.871 -0.458 -4.637
130 2HD PRO 19 1HD PRO 19 49.664 -0.402 -5.941
131 H ILE 20 H ILE 20 48.668 -4.376 -1.785
132 HA ILE 20 HA ILE 20 49.114 -2.949 0.562
133 HB ILE 20 HB ILE 20 49.459 -5.920 0.076
134 1HG1 ILE 20 2HG1 ILE 20 47.178 -4.863 -0.356
135 2HG1 ILE 20 1HG1 ILE 20 47.213 -6.191 0.800
136 1HG2 ILE 20 1HG2 ILE 20 49.190 -4.429 2.680
137 2HG2 ILE 20 2HG2 ILE 20 50.618 -5.289 2.104
138 3HG2 ILE 20 3HG2 ILE 20 49.149 -6.181 2.499
139 1HD1 ILE 20 1HD1 ILE 20 47.143 -4.603 2.641
140 2HD1 ILE 20 2HD1 ILE 20 45.775 -4.375 1.551
141 3HD1 ILE 20 3HD1 ILE 20 47.144 -3.264 1.494
142 H SER 21 H SER 21 51.291 -4.567 -1.548
143 HA SER 21 HA SER 21 53.532 -5.001 0.010
144 1HB SER 21 2HB SER 21 53.495 -4.252 -2.914
145 2HB SER 21 1HB SER 21 54.651 -5.295 -2.085
146 HG SER 21 HG SER 21 53.289 -6.913 -2.194
147 H TRP 22 H TRP 22 52.228 -2.025 -0.709
148 HA TRP 22 HA TRP 22 54.801 -0.645 -0.959
149 1HB TRP 22 2HB TRP 22 51.996 0.265 -1.554
150 2HB TRP 22 1HB TRP 22 53.395 1.328 -1.625
151 HD1 TRP 22 HD1 TRP 22 53.357 -2.260 -3.013
152 HE1 TRP 22 HE1 TRP 22 53.707 -2.132 -5.538
153 HE3 TRP 22 HE3 TRP 22 53.222 2.805 -3.610
154 HZ2 TRP 22 HZ2 TRP 22 53.905 -0.178 -7.542
155 HZ3 TRP 22 HZ3 TRP 22 53.500 3.732 -5.876
156 HH2 TRP 22 HH2 TRP 22 53.835 2.268 -7.802
157 H THR 23 H THR 23 51.987 -0.885 1.024
158 HA THR 23 HA THR 23 51.645 1.377 2.356
159 HB THR 23 HB THR 23 51.197 0.023 4.451
160 HG1 THR 23 HG1 THR 23 51.762 -2.199 2.750
161 1HG2 THR 23 1HG2 THR 23 49.989 -0.959 1.861
162 2HG2 THR 23 2HG2 THR 23 49.460 0.451 2.778
163 3HG2 THR 23 3HG2 THR 23 49.290 -1.163 3.468
164 H CYS 24 H CYS 24 53.838 -0.964 3.729
165 HA CYS 24 HA CYS 24 55.292 1.047 5.137
166 1HB CYS 24 2HB CYS 24 54.550 -1.171 6.098
167 2HB CYS 24 1HB CYS 24 55.731 -1.938 5.048
168 H ASP 25 H ASP 25 56.134 2.036 3.024
169 HA ASP 25 HA ASP 25 58.729 0.785 2.529
170 1HB ASP 25 2HB ASP 25 58.592 0.575 0.266
171 2HB ASP 25 1HB ASP 25 56.914 0.274 0.676
172 H LEU 26 H LEU 26 57.180 3.338 3.585
173 HA LEU 26 HA LEU 26 58.193 5.082 4.585
174 1HB LEU 26 2HB LEU 26 60.428 4.398 2.767
175 2HB LEU 26 1HB LEU 26 60.362 6.041 3.376
176 HG LEU 26 HG LEU 26 60.396 3.547 5.085
177 1HD1 LEU 26 1HD1 LEU 26 62.670 4.229 5.652
178 2HD1 LEU 26 2HD1 LEU 26 62.556 5.570 4.512
179 3HD1 LEU 26 3HD1 LEU 26 62.509 3.908 3.924
180 1HD2 LEU 26 1HD2 LEU 26 60.601 6.462 5.839
181 2HD2 LEU 26 2HD2 LEU 26 60.736 5.090 6.938
182 3HD2 LEU 26 3HD2 LEU 26 59.207 5.420 6.124
183 H ASP 27 H ASP 27 56.128 5.763 3.701
184 HA ASP 27 HA ASP 27 55.142 7.821 3.586
185 1HB ASP 27 2HB ASP 27 57.578 8.680 3.896
186 2HB ASP 27 1HB ASP 27 57.512 9.012 2.169
187 H ASP 28 H ASP 28 55.260 9.726 1.564
188 HA ASP 28 HA ASP 28 54.537 10.323 -0.458
189 1HB ASP 28 2HB ASP 28 56.350 8.750 -1.281
190 2HB ASP 28 1HB ASP 28 55.064 7.575 -1.551
191 H ASP 29 H ASP 29 53.345 7.032 0.270
192 HA ASP 29 HA ASP 29 50.881 7.527 -1.142
193 1HB ASP 29 2HB ASP 29 52.202 5.235 -0.270
194 2HB ASP 29 1HB ASP 29 50.763 5.310 0.742
195 H CYS 30 H CYS 30 48.863 6.531 0.523
196 HA CYS 30 HA CYS 30 48.926 8.228 2.880
197 1HB CYS 30 2HB CYS 30 46.740 9.328 2.160
198 2HB CYS 30 1HB CYS 30 48.245 9.905 1.463
199 H GLY 31 H GLY 31 48.758 5.707 3.351
200 1HA GLY 31 2HA GLY 31 46.082 4.735 3.607
201 2HA GLY 31 1HA GLY 31 47.469 4.209 4.555
202 H ASP 32 H ASP 32 48.064 6.887 5.421
203 HA ASP 32 HA ASP 32 45.789 7.694 7.065
204 1HB ASP 32 2HB ASP 32 47.395 7.874 9.056
205 2HB ASP 32 1HB ASP 32 46.870 6.254 8.623
206 H ARG 33 H ARG 33 49.018 8.225 5.958
207 HA ARG 33 HA ARG 33 48.694 10.849 5.040
208 1HB ARG 33 2HB ARG 33 48.738 11.494 7.400
209 2HB ARG 33 1HB ARG 33 50.174 10.512 7.669
210 1HG ARG 33 2HG ARG 33 51.304 12.000 5.933
211 2HG ARG 33 1HG ARG 33 49.925 13.079 6.144
212 1HD ARG 33 2HD ARG 33 51.798 12.153 8.317
213 2HD ARG 33 1HD ARG 33 51.817 13.739 7.549
214 HE ARG 33 HE ARG 33 49.284 13.085 8.725
215 1HH1 ARG 33 1HH1 ARG 33 52.474 14.349 9.364
216 2HH1 ARG 33 2HH1 ARG 33 51.991 15.268 10.760
217 1HH2 ARG 33 1HH2 ARG 33 48.626 14.291 10.581
218 2HH2 ARG 33 2HH2 ARG 33 49.803 15.219 11.450
219 H SER 34 H SER 34 50.715 8.382 6.408
220 HA SER 34 HA SER 34 52.439 8.403 4.042
221 1HB SER 34 2HB SER 34 53.506 8.261 6.879
222 2HB SER 34 1HB SER 34 54.455 8.224 5.394
223 HG SER 34 HG SER 34 54.424 10.311 5.359
224 H ASP 35 H ASP 35 50.331 6.780 5.779
225 HA ASP 35 HA ASP 35 49.616 4.617 5.727
226 1HB ASP 35 2HB ASP 35 52.193 4.021 4.275
227 2HB ASP 35 1HB ASP 35 50.897 2.862 4.552
228 H GLU 36 H GLU 36 52.580 5.502 7.098
229 HA GLU 36 HA GLU 36 52.955 2.847 8.272
230 1HB GLU 36 2HB GLU 36 54.880 5.091 7.686
231 2HB GLU 36 1HB GLU 36 55.321 3.631 8.564
232 1HG GLU 36 2HG GLU 36 55.250 2.317 6.724
233 2HG GLU 36 1HG GLU 36 53.961 3.255 5.972
234 H SER 37 H SER 37 51.172 4.940 9.327
235 HA SER 37 HA SER 37 52.262 4.652 12.037
236 1HB SER 37 2HB SER 37 50.885 6.697 12.655
237 2HB SER 37 1HB SER 37 52.309 7.008 11.662
238 HG SER 37 HG SER 37 50.110 6.506 10.135
239 H ALA 38 H ALA 38 49.969 3.721 9.853
240 HA ALA 38 HA ALA 38 48.178 2.883 12.008
241 1HB ALA 38 1HB ALA 38 47.311 3.712 9.248
242 2HB ALA 38 2HB ALA 38 47.102 4.655 10.723
243 3HB ALA 38 3HB ALA 38 46.254 3.121 10.531
244 H SER 39 H SER 39 49.819 1.957 9.081
245 HA SER 39 HA SER 39 48.653 -0.718 9.427
246 1HB SER 39 2HB SER 39 49.364 -1.223 7.145
247 2HB SER 39 1HB SER 39 48.373 0.234 7.167
248 HG SER 39 HG SER 39 50.158 1.468 6.818
249 H CYS 40 H CYS 40 51.754 0.879 8.725
250 HA CYS 40 HA CYS 40 53.124 -1.520 9.691
251 1HB CYS 40 2HB CYS 40 53.781 -0.345 7.501
252 2HB CYS 40 1HB CYS 40 54.497 0.895 8.531
253 H ALA 41 H ALA 41 54.139 -1.587 11.611
254 HA ALA 41 HA ALA 41 54.044 0.824 13.265
255 1HB ALA 41 1HB ALA 41 54.462 -0.677 15.146
256 2HB ALA 41 2HB ALA 41 54.617 -2.036 14.034
257 3HB ALA 41 3HB ALA 41 53.070 -1.206 14.204
258 H TYR 42 H TYR 42 56.133 -0.691 11.241
259 HA TYR 42 HA TYR 42 58.377 -0.898 10.971
260 1HB TYR 42 2HB TYR 42 57.910 1.858 11.976
261 2HB TYR 42 1HB TYR 42 59.581 1.305 11.893
262 HD1 TYR 42 HD1 TYR 42 56.488 1.500 9.819
263 HD2 TYR 42 HD2 TYR 42 60.744 1.464 9.894
264 HE1 TYR 42 HE1 TYR 42 56.527 1.942 7.388
265 HE2 TYR 42 HE2 TYR 42 60.795 1.936 7.487
266 HH TYR 42 HH TYR 42 58.137 2.999 5.764
267 HA PRO 43 HA PRO 43 59.642 -1.977 15.290
268 1HB PRO 43 2HB PRO 43 58.660 -4.447 15.636
269 2HB PRO 43 1HB PRO 43 57.659 -3.014 15.894
270 1HG PRO 43 2HG PRO 43 57.606 -4.974 13.685
271 2HG PRO 43 1HG PRO 43 56.310 -3.939 14.301
272 1HD PRO 43 2HD PRO 43 57.991 -3.498 12.016
273 2HD PRO 43 1HD PRO 43 56.702 -2.452 12.641
274 H THR 44 H THR 44 59.993 -3.245 12.196
275 HA THR 44 HA THR 44 62.585 -4.277 12.510
276 HB THR 44 HB THR 44 61.469 -6.088 13.757
277 HG1 THR 44 HG1 THR 44 62.416 -6.815 11.169
278 1HG2 THR 44 1HG2 THR 44 59.897 -6.557 11.217
279 2HG2 THR 44 2HG2 THR 44 59.246 -5.949 12.739
280 3HG2 THR 44 3HG2 THR 44 59.877 -7.592 12.647
281 H CYS 45 H CYS 45 61.186 -2.565 10.761
282 HA CYS 45 HA CYS 45 60.610 -2.114 8.617
283 1HB CYS 45 2HB CYS 45 62.249 -4.593 8.011
284 2HB CYS 45 1HB CYS 45 61.693 -3.423 6.813
285 H PHE 46 H PHE 46 60.053 -4.177 6.511
286 HA PHE 46 HA PHE 46 57.732 -5.473 7.751
287 1HB PHE 46 2HB PHE 46 57.407 -3.116 6.501
288 2HB PHE 46 1HB PHE 46 57.251 -4.203 5.124
289 HD1 PHE 46 HD1 PHE 46 55.048 -4.438 4.570
290 HD2 PHE 46 HD2 PHE 46 56.146 -4.424 8.674
291 HE1 PHE 46 HE1 PHE 46 52.720 -4.886 5.182
292 HE2 PHE 46 HE2 PHE 46 53.814 -4.881 9.307
293 HZ PHE 46 HZ PHE 46 52.089 -5.109 7.561
294 HA PRO 47 HA PRO 47 59.311 -8.705 5.200
295 1HB PRO 47 2HB PRO 47 57.356 -10.491 6.248
296 2HB PRO 47 1HB PRO 47 59.028 -10.291 6.772
297 1HG PRO 47 2HG PRO 47 56.799 -9.648 8.283
298 2HG PRO 47 1HG PRO 47 58.429 -9.010 8.551
299 1HD PRO 47 2HD PRO 47 56.103 -7.749 7.157
300 2HD PRO 47 1HD PRO 47 57.325 -7.007 8.216
301 H LEU 48 H LEU 48 56.715 -7.048 4.314
302 HA LEU 48 HA LEU 48 55.253 -8.975 2.781
303 1HB LEU 48 2HB LEU 48 55.423 -5.970 2.665
304 2HB LEU 48 1HB LEU 48 54.544 -6.867 1.445
305 HG LEU 48 HG LEU 48 53.942 -6.734 4.394
306 1HD1 LEU 48 1HD1 LEU 48 51.836 -5.761 3.589
307 2HD1 LEU 48 2HD1 LEU 48 52.444 -5.839 1.936
308 3HD1 LEU 48 3HD1 LEU 48 53.235 -4.798 3.120
309 1HD2 LEU 48 1HD2 LEU 48 53.567 -9.013 3.565
310 2HD2 LEU 48 2HD2 LEU 48 52.571 -8.370 2.259
311 3HD2 LEU 48 3HD2 LEU 48 52.048 -8.196 3.934
312 H THR 49 H THR 49 57.731 -6.584 2.002
313 HA THR 49 HA THR 49 59.016 -7.980 -0.013
314 HB THR 49 HB THR 49 56.996 -7.966 -1.302
315 HG1 THR 49 HG1 THR 49 58.779 -7.488 -2.568
316 1HG2 THR 49 1HG2 THR 49 56.846 -4.985 -0.855
317 2HG2 THR 49 2HG2 THR 49 55.824 -6.197 -0.082
318 3HG2 THR 49 3HG2 THR 49 55.735 -5.954 -1.827
319 H GLN 50 H GLN 50 60.825 -6.984 0.801
320 HA GLN 50 HA GLN 50 61.097 -4.122 0.495
321 1HB GLN 50 2HB GLN 50 60.296 -5.317 2.974
322 2HB GLN 50 1HB GLN 50 61.910 -4.652 3.154
323 1HG GLN 50 2HG GLN 50 61.058 -2.489 2.295
324 2HG GLN 50 1HG GLN 50 59.435 -3.184 2.296
325 1HE2 GLN 50 1HE2 GLN 50 58.740 -1.649 3.810
326 2HE2 GLN 50 2HE2 GLN 50 59.194 -1.759 5.475
327 H PHE 51 H PHE 51 63.200 -3.371 0.891
328 HA PHE 51 HA PHE 51 65.291 -5.412 1.282
329 1HB PHE 51 2HB PHE 51 65.242 -4.490 -1.059
330 2HB PHE 51 1HB PHE 51 65.504 -2.885 -0.392
331 HD1 PHE 51 HD1 PHE 51 67.663 -2.156 0.244
332 HD2 PHE 51 HD2 PHE 51 67.013 -6.211 -0.864
333 HE1 PHE 51 HE1 PHE 51 70.088 -2.514 0.154
334 HE2 PHE 51 HE2 PHE 51 69.441 -6.579 -0.955
335 HZ PHE 51 HZ PHE 51 70.984 -4.729 -0.446
336 H THR 52 H THR 52 66.899 -4.774 2.782
337 HA THR 52 HA THR 52 66.076 -2.433 4.345
338 HB THR 52 HB THR 52 67.768 -4.749 5.294
339 HG1 THR 52 HG1 THR 52 64.963 -4.332 5.631
340 1HG2 THR 52 1HG2 THR 52 67.091 -3.947 7.526
341 2HG2 THR 52 2HG2 THR 52 66.234 -2.605 6.768
342 3HG2 THR 52 3HG2 THR 52 67.987 -2.720 6.630
343 H CYS 53 H CYS 53 67.254 -0.726 3.625
344 HA CYS 53 HA CYS 53 69.948 -0.720 2.910
345 1HB CYS 53 2HB CYS 53 68.313 1.372 4.317
346 2HB CYS 53 1HB CYS 53 69.964 1.647 3.768
347 H ASN 54 H ASN 54 71.888 -0.457 4.021
348 HA ASN 54 HA ASN 54 72.064 -2.086 6.305
349 1HB ASN 54 2HB ASN 54 74.043 -0.356 4.862
350 2HB ASN 54 1HB ASN 54 74.479 -1.126 6.384
351 1HD2 ASN 54 1HD2 ASN 54 72.316 -2.538 3.992
352 2HD2 ASN 54 2HD2 ASN 54 73.374 -3.828 3.544
353 H ASN 55 H ASN 55 71.799 1.382 5.980
354 HA ASN 55 HA ASN 55 72.599 2.148 8.552
355 1HB ASN 55 2HB ASN 55 71.197 3.355 6.332
356 2HB ASN 55 1HB ASN 55 70.464 3.835 7.858
357 1HD2 ASN 55 1HD2 ASN 55 73.308 3.965 5.855
358 2HD2 ASN 55 2HD2 ASN 55 74.122 5.193 6.775
359 H GLY 56 H GLY 56 69.852 0.396 7.526
360 1HA GLY 56 2HA GLY 56 68.553 -0.773 9.199
361 2HA GLY 56 1HA GLY 56 68.691 0.648 10.225
362 H ARG 57 H ARG 57 68.202 1.629 7.093
363 HA ARG 57 HA ARG 57 65.398 2.185 7.674
364 1HB ARG 57 2HB ARG 57 65.573 4.023 6.326
365 2HB ARG 57 1HB ARG 57 67.270 3.844 6.735
366 1HG ARG 57 2HG ARG 57 67.192 2.329 4.531
367 2HG ARG 57 1HG ARG 57 65.886 3.462 4.162
368 1HD ARG 57 2HD ARG 57 67.508 5.305 4.813
369 2HD ARG 57 1HD ARG 57 68.764 4.070 4.790
370 HE ARG 57 HE ARG 57 68.128 3.732 2.396
371 1HH1 ARG 57 1HH1 ARG 57 67.516 6.771 4.014
372 2HH1 ARG 57 2HH1 ARG 57 67.651 7.721 2.574
373 1HH2 ARG 57 1HH2 ARG 57 68.338 4.990 0.475
374 2HH2 ARG 57 2HH2 ARG 57 68.116 6.707 0.559
375 H CYS 58 H CYS 58 63.719 1.584 6.210
376 HA CYS 58 HA CYS 58 64.458 -0.886 4.812
377 1HB CYS 58 2HB CYS 58 61.659 -0.237 5.626
378 2HB CYS 58 1HB CYS 58 62.471 -1.798 5.546
379 H ILE 59 H ILE 59 64.338 -0.834 2.655
380 HA ILE 59 HA ILE 59 62.698 1.278 1.492
381 HB ILE 59 HB ILE 59 64.037 1.144 -0.540
382 1HG1 ILE 59 2HG1 ILE 59 65.997 -0.589 0.943
383 2HG1 ILE 59 1HG1 ILE 59 64.712 -1.293 -0.036
384 1HG2 ILE 59 1HG2 ILE 59 66.046 2.209 0.340
385 2HG2 ILE 59 2HG2 ILE 59 65.671 1.604 1.952
386 3HG2 ILE 59 3HG2 ILE 59 64.601 2.773 1.178
387 1HD1 ILE 59 1HD1 ILE 59 66.787 0.636 -1.042
388 2HD1 ILE 59 2HD1 ILE 59 65.556 -0.193 -2.003
389 3HD1 ILE 59 3HD1 ILE 59 66.845 -1.116 -1.227
390 H ASN 60 H ASN 60 61.701 0.779 -0.619
391 HA ASN 60 HA ASN 60 60.242 -1.669 -0.478
392 1HB ASN 60 2HB ASN 60 59.385 0.572 -1.305
393 2HB ASN 60 1HB ASN 60 60.332 0.311 -2.761
394 1HD2 ASN 60 1HD2 ASN 60 57.432 0.609 -2.263
395 2HD2 ASN 60 2HD2 ASN 60 56.705 -0.785 -3.004
396 H ILE 61 H ILE 61 60.434 -3.502 -1.724
397 HA ILE 61 HA ILE 61 63.018 -4.085 -2.741
398 HB ILE 61 HB ILE 61 60.818 -5.583 -1.917
399 1HG1 ILE 61 2HG1 ILE 61 63.170 -6.074 -1.460
400 2HG1 ILE 61 1HG1 ILE 61 62.344 -7.487 -2.101
401 1HG2 ILE 61 1HG2 ILE 61 59.911 -5.633 -4.164
402 2HG2 ILE 61 2HG2 ILE 61 60.480 -7.233 -3.689
403 3HG2 ILE 61 3HG2 ILE 61 61.443 -6.247 -4.787
404 1HD1 ILE 61 1HD1 ILE 61 63.341 -7.073 -4.293
405 2HD1 ILE 61 2HD1 ILE 61 64.566 -7.265 -3.038
406 3HD1 ILE 61 3HD1 ILE 61 64.168 -5.658 -3.641
407 H ASN 62 H ASN 62 60.335 -2.604 -4.124
408 HA ASN 62 HA ASN 62 60.695 -3.586 -6.819
409 1HB ASN 62 2HB ASN 62 58.468 -2.958 -5.790
410 2HB ASN 62 1HB ASN 62 58.974 -1.277 -5.895
411 1HD2 ASN 62 1HD2 ASN 62 59.749 -3.704 -8.310
412 2HD2 ASN 62 2HD2 ASN 62 58.765 -3.038 -9.560
413 H TRP 63 H TRP 63 62.793 -1.908 -5.297
414 HA TRP 63 HA TRP 63 63.051 0.257 -7.268
415 1HB TRP 63 2HB TRP 63 64.355 -0.019 -4.554
416 2HB TRP 63 1HB TRP 63 64.623 1.313 -5.669
417 HD1 TRP 63 HD1 TRP 63 61.025 0.407 -5.665
418 HE1 TRP 63 HE1 TRP 63 59.682 2.056 -4.209
419 HE3 TRP 63 HE3 TRP 63 64.897 2.721 -3.283
420 HZ2 TRP 63 HZ2 TRP 63 60.200 4.065 -2.305
421 HZ3 TRP 63 HZ3 TRP 63 64.396 4.494 -1.651
422 HH2 TRP 63 HH2 TRP 63 62.092 5.152 -1.173
423 H ARG 64 H ARG 64 63.900 -2.752 -7.207
424 HA ARG 64 HA ARG 64 66.700 -2.691 -7.762
425 1HB ARG 64 2HB ARG 64 64.808 -4.616 -9.107
426 2HB ARG 64 1HB ARG 64 66.476 -4.868 -8.627
427 1HG ARG 64 2HG ARG 64 64.278 -4.510 -6.624
428 2HG ARG 64 1HG ARG 64 64.693 -6.081 -7.309
429 1HD ARG 64 2HD ARG 64 66.590 -4.264 -5.827
430 2HD ARG 64 1HD ARG 64 65.768 -5.659 -5.133
431 HE ARG 64 HE ARG 64 67.228 -6.443 -7.420
432 1HH1 ARG 64 1HH1 ARG 64 67.667 -5.484 -4.080
433 2HH1 ARG 64 2HH1 ARG 64 69.236 -6.216 -3.937
434 1HH2 ARG 64 1HH2 ARG 64 69.289 -7.465 -7.209
435 2HH2 ARG 64 2HH2 ARG 64 70.161 -7.325 -5.709
436 H CYS 65 H CYS 65 67.089 -0.909 -9.138
437 HA CYS 65 HA CYS 65 65.457 -0.462 -11.442
438 1HB CYS 65 2HB CYS 65 67.088 1.370 -11.916
439 2HB CYS 65 1HB CYS 65 66.363 1.452 -10.313
440 H ASP 66 H ASP 66 68.842 -1.305 -11.030
441 HA ASP 66 HA ASP 66 68.890 -2.198 -13.835
442 1HB ASP 66 2HB ASP 66 71.269 -1.668 -13.840
443 2HB ASP 66 1HB ASP 66 70.342 -0.262 -13.326
444 H ASN 67 H ASN 67 70.399 -2.875 -10.690
445 HA ASN 67 HA ASN 67 70.386 -5.712 -11.334
446 1HB ASN 67 2HB ASN 67 72.635 -4.982 -11.868
447 2HB ASN 67 1HB ASN 67 72.768 -4.155 -10.319
448 1HD2 ASN 67 1HD2 ASN 67 73.226 -5.314 -8.495
449 2HD2 ASN 67 2HD2 ASN 67 73.690 -6.978 -8.525
450 H ASP 68 H ASP 68 71.168 -3.348 -8.763
451 HA ASP 68 HA ASP 68 69.888 -5.236 -6.909
452 1HB ASP 68 2HB ASP 68 72.377 -4.504 -6.574
453 2HB ASP 68 1HB ASP 68 71.656 -3.039 -5.901
454 H ASN 69 H ASN 69 69.715 -3.132 -4.808
455 HA ASN 69 HA ASN 69 67.112 -2.173 -5.845
456 1HB ASN 69 2HB ASN 69 67.334 -4.026 -4.052
457 2HB ASN 69 1HB ASN 69 67.751 -2.715 -2.959
458 1HD2 ASN 69 1HD2 ASN 69 65.965 -0.770 -4.009
459 2HD2 ASN 69 2HD2 ASN 69 64.361 -1.286 -3.602
460 H ASP 70 H ASP 70 67.124 -0.051 -6.177
461 HA ASP 70 HA ASP 70 68.778 1.926 -5.483
462 1HB ASP 70 2HB ASP 70 65.818 1.916 -5.857
463 2HB ASP 70 1HB ASP 70 66.568 3.386 -5.256
464 H CYS 71 H CYS 71 69.746 2.082 -3.605
465 HA CYS 71 HA CYS 71 68.095 2.745 -1.263
466 1HB CYS 71 2HB CYS 71 68.678 0.500 -0.824
467 2HB CYS 71 1HB CYS 71 70.313 0.712 -1.444
468 H GLY 72 H GLY 72 71.438 2.608 -2.516
469 1HA GLY 72 2HA GLY 72 72.966 4.346 -2.676
470 2HA GLY 72 1HA GLY 72 71.778 5.422 -1.962
471 H ASP 73 H ASP 73 72.014 2.763 -0.009
472 HA ASP 73 HA ASP 73 73.969 4.099 1.698
473 1HB ASP 73 2HB ASP 73 71.939 4.485 2.773
474 2HB ASP 73 1HB ASP 73 71.279 2.919 2.318
475 H ASN 74 H ASN 74 75.402 2.685 0.463
476 HA ASN 74 HA ASN 74 77.028 1.097 0.617
477 1HB ASN 74 2HB ASN 74 75.691 0.425 3.246
478 2HB ASN 74 1HB ASN 74 77.253 -0.190 2.723
479 1HD2 ASN 74 1HD2 ASN 74 75.519 2.536 4.002
480 2HD2 ASN 74 2HD2 ASN 74 76.906 3.524 4.297
481 H SER 75 H SER 75 73.919 0.384 0.091
482 HA SER 75 HA SER 75 74.103 -2.492 0.339
483 1HB SER 75 2HB SER 75 71.775 -0.781 -0.495
484 2HB SER 75 1HB SER 75 71.718 -2.493 -0.063
485 HG SER 75 HG SER 75 72.709 -0.558 1.748
486 H ASP 76 H ASP 76 72.268 -0.867 -2.024
487 HA ASP 76 HA ASP 76 72.529 -2.737 -4.025
488 1HB ASP 76 2HB ASP 76 71.651 -0.847 -5.496
489 2HB ASP 76 1HB ASP 76 70.686 -1.252 -4.085
490 H GLU 77 H GLU 77 73.939 0.479 -3.969
491 HA GLU 77 HA GLU 77 76.409 0.000 -5.047
492 1HB GLU 77 2HB GLU 77 75.769 0.953 -7.477
493 2HB GLU 77 1HB GLU 77 75.952 -0.753 -7.132
494 1HG GLU 77 2HG GLU 77 74.006 -0.445 -8.466
495 2HG GLU 77 1HG GLU 77 73.502 -0.921 -6.850
496 H ALA 78 H ALA 78 73.688 2.041 -4.654
497 HA ALA 78 HA ALA 78 73.487 4.235 -4.066
498 1HB ALA 78 1HB ALA 78 76.456 4.055 -3.573
499 2HB ALA 78 2HB ALA 78 75.190 3.653 -2.413
500 3HB ALA 78 3HB ALA 78 75.377 5.315 -2.972
501 H GLY 79 H GLY 79 74.085 3.564 -6.913
502 1HA GLY 79 2HA GLY 79 75.044 6.256 -7.675
503 2HA GLY 79 1HA GLY 79 75.676 4.829 -8.478
504 H CYS 80 H CYS 80 72.800 3.694 -8.163
505 HA CYS 80 HA CYS 80 71.976 4.270 -10.792
506 1HB CYS 80 2HB CYS 80 71.406 2.203 -9.519
507 2HB CYS 80 1HB CYS 80 70.289 3.150 -8.544
508 H SER 81 H SER 81 70.686 5.429 -7.680
509 HA SER 81 HA SER 81 68.852 7.200 -9.060
510 1HB SER 81 2HB SER 81 68.735 7.755 -6.329
511 2HB SER 81 1HB SER 81 67.667 6.679 -7.231
512 HG SER 81 HG SER 81 68.800 4.950 -6.596
513 H HIS 82 HN HIS 82 69.398 9.158 -9.688
514 HA HIS 82 HA HIS 82 71.023 10.836 -7.970
515 1HB HIS 82 2HB HIS 82 72.415 11.568 -9.960
516 2HB HIS 82 1HB HIS 82 72.778 9.975 -9.315
517 HD1 HIS 82 HD1 HIS 82 70.051 10.843 -11.834
518 HD2 HIS 82 HD2 HIS 82 73.583 8.670 -11.533
519 HE1 HIS 82 HE1 HIS 82 70.317 9.598 -14.026
Start of MODEL 5
1 1H SER 1 1HT SER 1 36.721 -6.555 -2.638
2 2H SER 1 2HT SER 1 36.141 -8.142 -2.577
3 3H SER 1 3HT SER 1 37.244 -7.687 -3.779
4 HA SER 1 HA SER 1 38.318 -8.975 -2.047
5 1HB SER 1 2HB SER 1 39.166 -6.065 -1.940
6 2HB SER 1 1HB SER 1 40.192 -7.488 -1.759
7 HG SER 1 HG SER 1 39.924 -6.246 -3.932
8 H ALA 2 H ALA 2 39.475 -8.342 0.207
9 HA ALA 2 HA ALA 2 37.357 -7.917 2.124
10 1HB ALA 2 1HB ALA 2 39.107 -8.338 3.803
11 2HB ALA 2 2HB ALA 2 40.318 -8.354 2.523
12 3HB ALA 2 3HB ALA 2 39.069 -9.597 2.564
13 H ARG 3 H ARG 3 38.652 -5.829 0.245
14 HA ARG 3 HA ARG 3 38.393 -3.564 1.937
15 1HB ARG 3 2HB ARG 3 40.717 -4.406 2.470
16 2HB ARG 3 1HB ARG 3 41.140 -4.135 0.788
17 1HG ARG 3 2HG ARG 3 40.780 -1.760 1.033
18 2HG ARG 3 1HG ARG 3 40.212 -1.986 2.690
19 1HD ARG 3 2HD ARG 3 42.568 -1.227 2.557
20 2HD ARG 3 1HD ARG 3 42.382 -2.778 3.375
21 HE ARG 3 HE ARG 3 43.051 -2.829 0.532
22 1HH1 ARG 3 1HH1 ARG 3 44.103 -3.191 3.857
23 2HH1 ARG 3 2HH1 ARG 3 45.555 -4.038 3.436
24 1HH2 ARG 3 1HH2 ARG 3 44.965 -3.962 -0.024
25 2HH2 ARG 3 2HH2 ARG 3 46.037 -4.480 1.234
26 H THR 4 H THR 4 38.994 -1.552 0.513
27 HA THR 4 HA THR 4 37.519 -1.621 -1.818
28 HB THR 4 HB THR 4 39.731 0.356 -1.298
29 HG1 THR 4 HG1 THR 4 37.095 0.697 -0.343
30 1HG2 THR 4 1HG2 THR 4 38.228 1.918 -2.425
31 2HG2 THR 4 2HG2 THR 4 37.026 0.643 -2.613
32 3HG2 THR 4 3HG2 THR 4 38.567 0.533 -3.460
33 H CYS 5 H CYS 5 41.017 -1.598 -1.475
34 HA CYS 5 HA CYS 5 41.317 -2.280 -4.295
35 1HB CYS 5 2HB CYS 5 43.330 -1.417 -2.223
36 2HB CYS 5 1HB CYS 5 43.757 -1.891 -3.869
37 HA PRO 6 HA PRO 6 42.028 -6.588 -3.680
38 1HB PRO 6 2HB PRO 6 44.293 -6.254 -5.583
39 2HB PRO 6 1HB PRO 6 42.901 -7.341 -5.665
40 1HG PRO 6 2HG PRO 6 43.001 -5.203 -7.222
41 2HG PRO 6 1HG PRO 6 41.478 -5.672 -6.440
42 1HD PRO 6 2HD PRO 6 43.421 -3.516 -5.670
43 2HD PRO 6 1HD PRO 6 41.643 -3.469 -5.707
44 HA PRO 7 HA PRO 7 45.158 -7.356 -0.718
45 1HB PRO 7 2HB PRO 7 45.942 -9.823 -2.167
46 2HB PRO 7 1HB PRO 7 45.358 -9.624 -0.511
47 1HG PRO 7 2HG PRO 7 43.785 -10.657 -2.396
48 2HG PRO 7 1HG PRO 7 43.133 -9.559 -1.165
49 1HD PRO 7 2HD PRO 7 43.824 -9.005 -4.024
50 2HD PRO 7 1HD PRO 7 42.439 -8.435 -3.069
51 H ASN 8 H ASN 8 46.194 -7.615 -4.079
52 HA ASN 8 HA ASN 8 49.007 -7.628 -3.404
53 1HB ASN 8 2HB ASN 8 47.719 -8.614 -5.525
54 2HB ASN 8 1HB ASN 8 48.093 -7.017 -6.166
55 1HD2 ASN 8 1HD2 ASN 8 50.253 -6.426 -6.477
56 2HD2 ASN 8 2HD2 ASN 8 51.511 -7.607 -6.548
57 H GLN 9 H GLN 9 46.840 -5.318 -3.124
58 HA GLN 9 HA GLN 9 48.798 -3.233 -3.405
59 1HB GLN 9 2HB GLN 9 47.011 -1.762 -4.560
60 2HB GLN 9 1HB GLN 9 47.946 -2.886 -5.534
61 1HG GLN 9 2HG GLN 9 45.513 -4.091 -4.537
62 2HG GLN 9 1HG GLN 9 45.198 -2.622 -5.464
63 1HE2 GLN 9 1HE2 GLN 9 47.981 -4.629 -6.045
64 2HE2 GLN 9 2HE2 GLN 9 47.456 -5.261 -7.567
65 H PHE 10 H PHE 10 47.181 -1.051 -2.912
66 HA PHE 10 HA PHE 10 45.798 -1.717 -0.429
67 1HB PHE 10 2HB PHE 10 48.067 -1.398 0.325
68 2HB PHE 10 1HB PHE 10 48.217 0.091 -0.600
69 HD1 PHE 10 HD1 PHE 10 47.982 2.077 0.505
70 HD2 PHE 10 HD2 PHE 10 46.096 -1.387 2.105
71 HE1 PHE 10 HE1 PHE 10 47.196 3.395 2.424
72 HE2 PHE 10 HE2 PHE 10 45.330 -0.079 4.054
73 HZ PHE 10 HZ PHE 10 45.867 2.329 4.197
74 H SER 11 H SER 11 44.400 -0.082 0.277
75 HA SER 11 HA SER 11 43.712 1.808 -1.817
76 1HB SER 11 2HB SER 11 41.397 1.700 -0.798
77 2HB SER 11 1HB SER 11 41.944 0.205 -1.561
78 HG SER 11 HG SER 11 42.179 0.779 1.206
79 H CYS 12 H CYS 12 44.491 3.759 -1.251
80 HA CYS 12 HA CYS 12 44.649 4.772 1.351
81 1HB CYS 12 2HB CYS 12 45.718 5.988 -0.450
82 2HB CYS 12 1HB CYS 12 44.177 6.223 -1.263
83 H ALA 13 H ALA 13 43.153 6.247 2.432
84 HA ALA 13 HA ALA 13 41.161 4.960 3.448
85 1HB ALA 13 1HB ALA 13 41.753 7.222 4.138
86 2HB ALA 13 2HB ALA 13 40.004 7.014 4.052
87 3HB ALA 13 3HB ALA 13 40.856 7.879 2.771
88 H SER 14 H SER 14 40.249 3.547 2.036
89 HA SER 14 HA SER 14 38.990 2.760 0.279
90 1HB SER 14 2HB SER 14 36.979 4.149 2.053
91 2HB SER 14 1HB SER 14 36.653 2.802 0.959
92 HG SER 14 HG SER 14 37.995 1.509 2.183
93 H GLY 15 H GLY 15 40.003 4.401 -1.230
94 1HA GLY 15 2HA GLY 15 37.943 5.320 -2.950
95 2HA GLY 15 1HA GLY 15 38.704 6.676 -2.128
96 H ARG 16 H ARG 16 41.316 5.865 -2.003
97 HA ARG 16 HA ARG 16 42.084 6.000 -4.817
98 1HB ARG 16 2HB ARG 16 43.765 6.330 -2.315
99 2HB ARG 16 1HB ARG 16 44.355 6.511 -3.959
100 1HG ARG 16 2HG ARG 16 44.017 8.692 -3.264
101 2HG ARG 16 1HG ARG 16 42.558 8.334 -4.189
102 1HD ARG 16 2HD ARG 16 41.372 7.841 -2.079
103 2HD ARG 16 1HD ARG 16 42.825 8.265 -1.173
104 HE ARG 16 HE ARG 16 41.470 10.216 -2.921
105 1HH1 ARG 16 1HH1 ARG 16 42.809 9.297 0.176
106 2HH1 ARG 16 2HH1 ARG 16 42.534 10.842 0.908
107 1HH2 ARG 16 1HH2 ARG 16 41.103 12.276 -1.964
108 2HH2 ARG 16 2HH2 ARG 16 41.554 12.545 -0.314
109 H CYS 17 H CYS 17 44.224 4.707 -5.283
110 HA CYS 17 HA CYS 17 44.149 2.056 -4.086
111 1HB CYS 17 2HB CYS 17 42.517 2.460 -6.198
112 2HB CYS 17 1HB CYS 17 44.006 2.028 -7.039
113 H ILE 18 H ILE 18 46.251 1.999 -3.556
114 HA ILE 18 HA ILE 18 48.265 2.655 -5.612
115 HB ILE 18 HB ILE 18 49.769 3.243 -3.832
116 1HG1 ILE 18 2HG1 ILE 18 47.700 2.501 -1.787
117 2HG1 ILE 18 1HG1 ILE 18 48.847 1.307 -2.390
118 1HG2 ILE 18 1HG2 ILE 18 48.033 4.936 -4.377
119 2HG2 ILE 18 2HG2 ILE 18 48.608 5.052 -2.713
120 3HG2 ILE 18 3HG2 ILE 18 47.047 4.301 -3.055
121 1HD1 ILE 18 1HD1 ILE 18 50.692 2.694 -1.651
122 2HD1 ILE 18 2HD1 ILE 18 49.605 2.281 -0.320
123 3HD1 ILE 18 3HD1 ILE 18 49.543 3.888 -1.040
124 HA PRO 19 HA PRO 19 49.650 -1.625 -5.171
125 1HB PRO 19 2HB PRO 19 52.453 -0.766 -4.916
126 2HB PRO 19 1HB PRO 19 51.685 -1.713 -6.193
127 1HG PRO 19 2HG PRO 19 52.503 0.815 -6.603
128 2HG PRO 19 1HG PRO 19 51.051 0.164 -7.384
129 1HD PRO 19 2HD PRO 19 51.269 1.945 -4.983
130 2HD PRO 19 1HD PRO 19 50.134 2.031 -6.350
131 H ILE 20 H ILE 20 50.653 -3.122 -3.620
132 HA ILE 20 HA ILE 20 50.376 -2.071 -0.938
133 HB ILE 20 HB ILE 20 49.424 -4.263 -1.752
134 1HG1 ILE 20 2HG1 ILE 20 49.831 -5.413 0.408
135 2HG1 ILE 20 1HG1 ILE 20 51.108 -4.251 0.748
136 1HG2 ILE 20 1HG2 ILE 20 52.257 -5.202 -1.360
137 2HG2 ILE 20 2HG2 ILE 20 51.394 -5.119 -2.897
138 3HG2 ILE 20 3HG2 ILE 20 50.859 -6.239 -1.642
139 1HD1 ILE 20 1HD1 ILE 20 49.055 -3.688 1.917
140 2HD1 ILE 20 2HD1 ILE 20 48.192 -3.605 0.380
141 3HD1 ILE 20 3HD1 ILE 20 49.472 -2.444 0.737
142 H SER 21 H SER 21 51.937 -2.729 0.762
143 HA SER 21 HA SER 21 53.981 -2.635 1.731
144 1HB SER 21 2HB SER 21 54.528 -4.454 -0.003
145 2HB SER 21 1HB SER 21 55.279 -3.164 -0.937
146 HG SER 21 HG SER 21 56.442 -2.735 1.157
147 H TRP 22 H TRP 22 52.628 -0.567 -0.042
148 HA TRP 22 HA TRP 22 54.793 1.441 0.026
149 1HB TRP 22 2HB TRP 22 52.013 1.515 -1.153
150 2HB TRP 22 1HB TRP 22 53.074 2.914 -1.088
151 HD1 TRP 22 HD1 TRP 22 53.935 -0.687 -2.209
152 HE1 TRP 22 HE1 TRP 22 54.827 -0.561 -4.601
153 HE3 TRP 22 HE3 TRP 22 53.315 4.307 -3.054
154 HZ2 TRP 22 HZ2 TRP 22 55.244 1.392 -6.607
155 HZ3 TRP 22 HZ3 TRP 22 53.979 5.227 -5.239
156 HH2 TRP 22 HH2 TRP 22 54.921 3.796 -6.976
157 H THR 23 H THR 23 52.801 0.131 2.103
158 HA THR 23 HA THR 23 51.260 2.373 3.013
159 HB THR 23 HB THR 23 50.297 0.740 4.585
160 HG1 THR 23 HG1 THR 23 52.622 -0.504 4.153
161 1HG2 THR 23 1HG2 THR 23 50.606 -0.402 1.805
162 2HG2 THR 23 2HG2 THR 23 49.422 0.817 2.288
163 3HG2 THR 23 3HG2 THR 23 49.340 -0.811 2.964
164 H CYS 24 H CYS 24 51.699 0.684 5.639
165 HA CYS 24 HA CYS 24 53.240 2.411 7.157
166 1HB CYS 24 2HB CYS 24 52.535 -0.487 7.504
167 2HB CYS 24 1HB CYS 24 53.145 0.560 8.788
168 H ASP 25 H ASP 25 55.143 2.559 5.603
169 HA ASP 25 HA ASP 25 57.238 0.822 6.530
170 1HB ASP 25 2HB ASP 25 57.909 0.417 4.009
171 2HB ASP 25 1HB ASP 25 56.831 -0.675 4.861
172 H LEU 26 H LEU 26 56.509 3.651 6.528
173 HA LEU 26 HA LEU 26 57.894 5.386 7.034
174 1HB LEU 26 2HB LEU 26 60.010 3.764 5.637
175 2HB LEU 26 1HB LEU 26 60.308 5.351 6.318
176 HG LEU 26 HG LEU 26 59.362 2.970 7.918
177 1HD1 LEU 26 1HD1 LEU 26 61.618 2.617 7.035
178 2HD1 LEU 26 2HD1 LEU 26 61.636 2.871 8.780
179 3HD1 LEU 26 3HD1 LEU 26 62.118 4.176 7.696
180 1HD2 LEU 26 1HD2 LEU 26 59.930 4.339 9.842
181 2HD2 LEU 26 2HD2 LEU 26 58.727 5.153 8.840
182 3HD2 LEU 26 3HD2 LEU 26 60.417 5.661 8.779
183 H ASP 27 H ASP 27 56.383 4.948 4.386
184 HA ASP 27 HA ASP 27 57.551 7.386 3.222
185 1HB ASP 27 2HB ASP 27 57.588 5.098 1.832
186 2HB ASP 27 1HB ASP 27 55.972 5.654 1.397
187 H ASP 28 H ASP 28 55.867 8.621 1.893
188 HA ASP 28 HA ASP 28 53.697 8.968 3.847
189 1HB ASP 28 2HB ASP 28 55.310 10.831 3.556
190 2HB ASP 28 1HB ASP 28 54.808 10.975 1.877
191 H ASP 29 H ASP 29 52.445 7.305 2.799
192 HA ASP 29 HA ASP 29 51.041 8.259 0.399
193 1HB ASP 29 2HB ASP 29 51.430 5.584 1.632
194 2HB ASP 29 1HB ASP 29 49.863 5.878 0.885
195 H CYS 30 H CYS 30 48.798 6.384 1.665
196 HA CYS 30 HA CYS 30 47.813 7.823 3.832
197 1HB CYS 30 2HB CYS 30 45.916 8.988 2.782
198 2HB CYS 30 1HB CYS 30 47.465 9.649 2.265
199 H GLY 31 H GLY 31 45.865 7.027 4.560
200 1HA GLY 31 2HA GLY 31 44.171 5.204 3.297
201 2HA GLY 31 1HA GLY 31 45.439 4.292 4.126
202 H ASP 32 H ASP 32 45.961 6.047 6.142
203 HA ASP 32 HA ASP 32 43.418 6.223 7.651
204 1HB ASP 32 2HB ASP 32 44.817 6.249 9.706
205 2HB ASP 32 1HB ASP 32 45.007 4.770 8.780
206 H ARG 33 H ARG 33 46.299 7.854 6.638
207 HA ARG 33 HA ARG 33 45.185 10.435 6.548
208 1HB ARG 33 2HB ARG 33 45.321 10.334 8.978
209 2HB ARG 33 1HB ARG 33 46.996 9.816 8.891
210 1HG ARG 33 2HG ARG 33 47.552 12.008 7.856
211 2HG ARG 33 1HG ARG 33 45.884 12.511 8.152
212 1HD ARG 33 2HD ARG 33 46.181 12.153 10.538
213 2HD ARG 33 1HD ARG 33 47.826 11.585 10.265
214 HE ARG 33 HE ARG 33 47.419 14.214 9.245
215 1HH1 ARG 33 1HH1 ARG 33 48.052 12.400 12.173
216 2HH1 ARG 33 2HH1 ARG 33 48.792 13.737 12.996
217 1HH2 ARG 33 1HH2 ARG 33 48.415 15.982 10.345
218 2HH2 ARG 33 2HH2 ARG 33 48.990 15.758 11.971
219 H SER 34 H SER 34 48.297 9.049 7.537
220 HA SER 34 HA SER 34 49.478 9.909 4.983
221 1HB SER 34 2HB SER 34 50.770 10.024 7.722
222 2HB SER 34 1HB SER 34 51.574 10.403 6.198
223 HG SER 34 HG SER 34 50.515 12.242 6.058
224 H ASP 35 H ASP 35 48.515 7.407 6.748
225 HA ASP 35 HA ASP 35 48.791 5.174 6.594
226 1HB ASP 35 2HB ASP 35 49.605 6.106 4.146
227 2HB ASP 35 1HB ASP 35 50.958 5.097 4.664
228 H GLU 36 H GLU 36 50.384 6.848 8.354
229 HA GLU 36 HA GLU 36 52.328 4.787 9.059
230 1HB GLU 36 2HB GLU 36 52.833 7.739 8.856
231 2HB GLU 36 1HB GLU 36 53.786 6.734 9.941
232 1HG GLU 36 2HG GLU 36 53.509 6.365 6.971
233 2HG GLU 36 1HG GLU 36 54.896 7.065 7.809
234 H SER 37 H SER 37 49.824 4.851 10.118
235 HA SER 37 HA SER 37 50.497 5.308 12.911
236 1HB SER 37 2HB SER 37 48.024 6.522 11.650
237 2HB SER 37 1HB SER 37 48.373 6.490 13.380
238 HG SER 37 HG SER 37 50.498 7.464 12.100
239 H ALA 38 H ALA 38 47.763 4.358 10.809
240 HA ALA 38 HA ALA 38 46.335 2.936 12.714
241 1HB ALA 38 1HB ALA 38 46.389 2.366 9.757
242 2HB ALA 38 2HB ALA 38 45.456 3.648 10.531
243 3HB ALA 38 3HB ALA 38 45.099 1.958 10.890
244 H SER 39 H SER 39 48.264 1.356 10.132
245 HA SER 39 HA SER 39 48.297 -1.047 11.840
246 1HB SER 39 2HB SER 39 47.150 -1.270 9.634
247 2HB SER 39 1HB SER 39 48.658 -0.844 8.826
248 HG SER 39 HG SER 39 49.524 -2.729 10.104
249 H CYS 40 H CYS 40 50.151 1.450 11.285
250 HA CYS 40 HA CYS 40 52.568 0.239 10.357
251 1HB CYS 40 2HB CYS 40 52.231 3.036 11.398
252 2HB CYS 40 1HB CYS 40 53.316 2.447 10.137
253 H ALA 41 H ALA 41 51.718 -0.842 12.862
254 HA ALA 41 HA ALA 41 53.758 0.153 14.710
255 1HB ALA 41 1HB ALA 41 52.865 -1.502 16.284
256 2HB ALA 41 2HB ALA 41 51.766 -2.100 15.041
257 3HB ALA 41 3HB ALA 41 51.584 -0.460 15.665
258 H TYR 42 H TYR 42 55.435 -0.396 13.116
259 HA TYR 42 HA TYR 42 55.903 -3.291 12.878
260 1HB TYR 42 2HB TYR 42 57.071 -2.742 10.723
261 2HB TYR 42 1HB TYR 42 55.336 -2.463 10.715
262 HD1 TYR 42 HD1 TYR 42 58.622 -0.740 10.988
263 HD2 TYR 42 HD2 TYR 42 54.464 -0.344 10.190
264 HE1 TYR 42 HE1 TYR 42 59.002 1.553 10.185
265 HE2 TYR 42 HE2 TYR 42 54.833 1.944 9.383
266 HH TYR 42 HH TYR 42 56.327 3.684 9.378
267 HA PRO 43 HA PRO 43 60.084 -2.317 14.204
268 1HB PRO 43 2HB PRO 43 60.723 -4.803 14.963
269 2HB PRO 43 1HB PRO 43 59.608 -3.817 15.915
270 1HG PRO 43 2HG PRO 43 59.058 -6.160 14.213
271 2HG PRO 43 1HG PRO 43 58.116 -5.504 15.560
272 1HD PRO 43 2HD PRO 43 57.724 -5.102 12.723
273 2HD PRO 43 1HD PRO 43 56.723 -4.517 14.068
274 H THR 44 H THR 44 59.050 -3.404 11.396
275 HA THR 44 HA THR 44 61.656 -4.245 10.395
276 HB THR 44 HB THR 44 60.553 -6.333 11.133
277 HG1 THR 44 HG1 THR 44 60.993 -5.866 8.376
278 1HG2 THR 44 1HG2 THR 44 58.538 -7.137 9.976
279 2HG2 THR 44 2HG2 THR 44 58.420 -5.605 9.111
280 3HG2 THR 44 3HG2 THR 44 58.216 -5.645 10.863
281 H CYS 45 H CYS 45 59.565 -2.016 10.000
282 HA CYS 45 HA CYS 45 58.394 -0.922 8.393
283 1HB CYS 45 2HB CYS 45 60.422 -2.268 6.593
284 2HB CYS 45 1HB CYS 45 59.359 -0.955 6.102
285 H PHE 46 H PHE 46 58.600 -2.648 5.582
286 HA PHE 46 HA PHE 46 56.283 -4.301 6.313
287 1HB PHE 46 2HB PHE 46 56.155 -1.990 4.798
288 2HB PHE 46 1HB PHE 46 56.153 -3.280 3.595
289 HD1 PHE 46 HD1 PHE 46 53.964 -3.340 2.853
290 HD2 PHE 46 HD2 PHE 46 54.760 -3.321 7.024
291 HE1 PHE 46 HE1 PHE 46 51.591 -3.777 3.300
292 HE2 PHE 46 HE2 PHE 46 52.396 -3.755 7.499
293 HZ PHE 46 HZ PHE 46 50.795 -3.980 5.633
294 HA PRO 47 HA PRO 47 58.950 -7.220 4.221
295 1HB PRO 47 2HB PRO 47 57.894 -9.433 5.284
296 2HB PRO 47 1HB PRO 47 58.872 -8.329 6.257
297 1HG PRO 47 2HG PRO 47 55.901 -8.624 6.132
298 2HG PRO 47 1HG PRO 47 56.944 -8.368 7.543
299 1HD PRO 47 2HD PRO 47 55.520 -6.373 6.253
300 2HD PRO 47 1HD PRO 47 56.953 -6.100 7.262
301 H LEU 48 H LEU 48 56.563 -6.085 2.860
302 HA LEU 48 HA LEU 48 55.340 -8.467 1.705
303 1HB LEU 48 2HB LEU 48 54.652 -5.538 1.464
304 2HB LEU 48 1HB LEU 48 53.896 -6.777 0.479
305 HG LEU 48 HG LEU 48 53.704 -6.436 3.465
306 1HD1 LEU 48 1HD1 LEU 48 51.295 -6.400 2.977
307 2HD1 LEU 48 2HD1 LEU 48 51.657 -6.523 1.257
308 3HD1 LEU 48 3HD1 LEU 48 52.162 -5.095 2.164
309 1HD2 LEU 48 1HD2 LEU 48 54.056 -8.803 3.021
310 2HD2 LEU 48 2HD2 LEU 48 52.773 -8.778 1.811
311 3HD2 LEU 48 3HD2 LEU 48 52.390 -8.495 3.509
312 H THR 49 H THR 49 56.848 -5.467 0.446
313 HA THR 49 HA THR 49 58.459 -6.933 -1.368
314 HB THR 49 HB THR 49 56.491 -7.283 -2.641
315 HG1 THR 49 HG1 THR 49 57.197 -6.516 -4.519
316 1HG2 THR 49 1HG2 THR 49 55.052 -5.567 -1.644
317 2HG2 THR 49 2HG2 THR 49 55.000 -5.523 -3.408
318 3HG2 THR 49 3HG2 THR 49 55.937 -4.320 -2.524
319 H GLN 50 H GLN 50 60.043 -5.700 -0.410
320 HA GLN 50 HA GLN 50 60.644 -3.225 -1.620
321 1HB GLN 50 2HB GLN 50 60.556 -1.765 0.330
322 2HB GLN 50 1HB GLN 50 58.958 -2.388 -0.043
323 1HG GLN 50 2HG GLN 50 59.104 -3.962 1.767
324 2HG GLN 50 1HG GLN 50 60.766 -3.475 2.093
325 1HE2 GLN 50 1HE2 GLN 50 58.303 -1.185 1.197
326 2HE2 GLN 50 2HE2 GLN 50 58.188 -0.412 2.737
327 H PHE 51 H PHE 51 62.432 -2.142 0.144
328 HA PHE 51 HA PHE 51 64.204 -4.301 1.030
329 1HB PHE 51 2HB PHE 51 64.785 -3.778 -1.347
330 2HB PHE 51 1HB PHE 51 65.097 -2.114 -0.874
331 HD1 PHE 51 HD1 PHE 51 66.213 -5.606 -0.336
332 HD2 PHE 51 HD2 PHE 51 67.203 -1.479 -0.058
333 HE1 PHE 51 HE1 PHE 51 68.545 -6.198 0.166
334 HE2 PHE 51 HE2 PHE 51 69.520 -2.059 0.461
335 HZ PHE 51 HZ PHE 51 70.205 -4.421 0.574
336 H THR 52 H THR 52 65.987 -3.429 2.428
337 HA THR 52 HA THR 52 65.055 -0.995 3.784
338 HB THR 52 HB THR 52 66.818 -3.180 4.914
339 HG1 THR 52 HG1 THR 52 64.091 -2.723 5.558
340 1HG2 THR 52 1HG2 THR 52 66.283 -2.159 7.064
341 2HG2 THR 52 2HG2 THR 52 65.312 -0.931 6.254
342 3HG2 THR 52 3HG2 THR 52 67.057 -0.986 6.000
343 H CYS 53 H CYS 53 66.164 0.728 3.134
344 HA CYS 53 HA CYS 53 68.835 0.686 2.198
345 1HB CYS 53 2HB CYS 53 67.139 2.395 1.589
346 2HB CYS 53 1HB CYS 53 67.283 3.045 3.219
347 H ASN 54 H ASN 54 70.758 1.292 3.171
348 HA ASN 54 HA ASN 54 70.924 0.724 5.972
349 1HB ASN 54 2HB ASN 54 72.959 1.520 3.904
350 2HB ASN 54 1HB ASN 54 73.383 1.445 5.610
351 1HD2 ASN 54 1HD2 ASN 54 71.073 -0.723 4.129
352 2HD2 ASN 54 2HD2 ASN 54 72.049 -2.142 4.238
353 H ASN 55 H ASN 55 70.245 3.504 4.224
354 HA ASN 55 HA ASN 55 71.224 5.512 5.912
355 1HB ASN 55 2HB ASN 55 70.209 5.788 3.614
356 2HB ASN 55 1HB ASN 55 68.634 5.528 4.346
357 1HD2 ASN 55 1HD2 ASN 55 71.348 7.684 4.040
358 2HD2 ASN 55 2HD2 ASN 55 70.549 9.080 4.702
359 H GLY 56 H GLY 56 69.083 3.035 6.515
360 1HA GLY 56 2HA GLY 56 68.091 2.640 8.633
361 2HA GLY 56 1HA GLY 56 67.998 4.382 8.883
362 H ARG 57 H ARG 57 67.140 4.075 5.818
363 HA ARG 57 HA ARG 57 64.303 4.267 6.509
364 1HB ARG 57 2HB ARG 57 64.053 5.446 4.465
365 2HB ARG 57 1HB ARG 57 65.569 6.021 5.151
366 1HG ARG 57 2HG ARG 57 66.679 4.230 3.717
367 2HG ARG 57 1HG ARG 57 65.143 4.162 2.855
368 1HD ARG 57 2HD ARG 57 66.774 6.641 3.285
369 2HD ARG 57 1HD ARG 57 66.806 5.662 1.818
370 HE ARG 57 HE ARG 57 64.152 6.458 2.466
371 1HH1 ARG 57 1HH1 ARG 57 67.144 7.647 1.086
372 2HH1 ARG 57 2HH1 ARG 57 66.365 8.848 0.111
373 1HH2 ARG 57 1HH2 ARG 57 63.119 8.041 1.174
374 2HH2 ARG 57 2HH2 ARG 57 64.074 9.075 0.165
375 H CYS 58 H CYS 58 62.741 3.157 5.088
376 HA CYS 58 HA CYS 58 63.903 0.776 3.827
377 1HB CYS 58 2HB CYS 58 61.165 1.246 5.007
378 2HB CYS 58 1HB CYS 58 61.530 -0.133 3.969
379 H ILE 59 H ILE 59 63.570 0.387 1.718
380 HA ILE 59 HA ILE 59 62.339 2.597 0.218
381 HB ILE 59 HB ILE 59 64.004 2.158 -1.555
382 1HG1 ILE 59 2HG1 ILE 59 65.316 0.359 0.492
383 2HG1 ILE 59 1HG1 ILE 59 64.402 -0.224 -0.892
384 1HG2 ILE 59 1HG2 ILE 59 65.952 3.110 -0.369
385 2HG2 ILE 59 2HG2 ILE 59 65.133 2.798 1.163
386 3HG2 ILE 59 3HG2 ILE 59 64.439 3.934 0.007
387 1HD1 ILE 59 1HD1 ILE 59 66.781 -0.319 -1.319
388 2HD1 ILE 59 2HD1 ILE 59 66.916 1.409 -1.001
389 3HD1 ILE 59 3HD1 ILE 59 66.001 0.838 -2.398
390 H ASN 60 H ASN 60 61.956 1.811 -2.182
391 HA ASN 60 HA ASN 60 60.277 -0.538 -1.972
392 1HB ASN 60 2HB ASN 60 59.560 1.567 -3.158
393 2HB ASN 60 1HB ASN 60 60.746 1.189 -4.406
394 1HD2 ASN 60 1HD2 ASN 60 57.726 0.264 -2.935
395 2HD2 ASN 60 2HD2 ASN 60 57.223 -0.812 -4.190
396 H ILE 61 H ILE 61 60.413 -2.343 -3.448
397 HA ILE 61 HA ILE 61 63.132 -3.257 -3.599
398 HB ILE 61 HB ILE 61 61.142 -4.636 -2.856
399 1HG1 ILE 61 2HG1 ILE 61 62.887 -5.796 -5.044
400 2HG1 ILE 61 1HG1 ILE 61 63.364 -5.598 -3.360
401 1HG2 ILE 61 1HG2 ILE 61 59.611 -4.040 -4.639
402 2HG2 ILE 61 2HG2 ILE 61 59.869 -5.784 -4.603
403 3HG2 ILE 61 3HG2 ILE 61 60.670 -4.800 -5.828
404 1HD1 ILE 61 1HD1 ILE 61 61.135 -7.351 -4.364
405 2HD1 ILE 61 2HD1 ILE 61 61.615 -7.149 -2.681
406 3HD1 ILE 61 3HD1 ILE 61 62.728 -7.888 -3.831
407 H ASN 62 H ASN 62 61.518 -1.346 -5.676
408 HA ASN 62 HA ASN 62 62.278 -2.760 -8.122
409 1HB ASN 62 2HB ASN 62 60.052 -1.376 -7.595
410 2HB ASN 62 1HB ASN 62 61.040 -0.052 -8.202
411 1HD2 ASN 62 1HD2 ASN 62 58.650 -1.241 -9.335
412 2HD2 ASN 62 2HD2 ASN 62 59.086 -1.778 -10.916
413 H TRP 63 H TRP 63 64.225 -1.512 -6.209
414 HA TRP 63 HA TRP 63 65.426 0.499 -8.003
415 1HB TRP 63 2HB TRP 63 65.804 0.059 -5.036
416 2HB TRP 63 1HB TRP 63 66.769 1.180 -5.988
417 HD1 TRP 63 HD1 TRP 63 63.239 1.246 -7.140
418 HE1 TRP 63 HE1 TRP 63 62.034 3.321 -6.219
419 HE3 TRP 63 HE3 TRP 63 66.683 2.703 -3.664
420 HZ2 TRP 63 HZ2 TRP 63 62.482 5.309 -4.275
421 HZ3 TRP 63 HZ3 TRP 63 66.220 4.706 -2.317
422 HH2 TRP 63 HH2 TRP 63 64.163 5.982 -2.617
423 H ARG 64 H ARG 64 65.510 -2.626 -7.489
424 HA ARG 64 HA ARG 64 68.197 -3.392 -7.462
425 1HB ARG 64 2HB ARG 64 66.023 -4.606 -9.183
426 2HB ARG 64 1HB ARG 64 67.494 -5.395 -8.637
427 1HG ARG 64 2HG ARG 64 65.351 -4.428 -6.765
428 2HG ARG 64 1HG ARG 64 65.380 -6.049 -7.457
429 1HD ARG 64 2HD ARG 64 67.544 -4.819 -5.743
430 2HD ARG 64 1HD ARG 64 66.354 -6.007 -5.208
431 HE ARG 64 HE ARG 64 68.202 -6.665 -7.393
432 1HH1 ARG 64 1HH1 ARG 64 66.934 -7.256 -4.195
433 2HH1 ARG 64 2HH1 ARG 64 67.944 -8.631 -3.900
434 1HH2 ARG 64 1HH2 ARG 64 69.529 -8.510 -7.035
435 2HH2 ARG 64 2HH2 ARG 64 69.394 -9.367 -5.533
436 H CYS 65 H CYS 65 69.528 -1.993 -8.624
437 HA CYS 65 HA CYS 65 68.791 -1.109 -11.253
438 1HB CYS 65 2HB CYS 65 70.081 0.319 -9.649
439 2HB CYS 65 1HB CYS 65 71.448 -0.772 -9.848
440 H ASP 66 H ASP 66 71.057 -3.355 -9.885
441 HA ASP 66 HA ASP 66 71.401 -4.716 -12.399
442 1HB ASP 66 2HB ASP 66 73.886 -4.432 -12.403
443 2HB ASP 66 1HB ASP 66 73.009 -2.944 -12.732
444 H ASN 67 H ASN 67 73.056 -4.352 -9.245
445 HA ASN 67 HA ASN 67 73.286 -7.220 -9.038
446 1HB ASN 67 2HB ASN 67 75.174 -5.806 -8.346
447 2HB ASN 67 1HB ASN 67 74.158 -5.060 -7.118
448 1HD2 ASN 67 1HD2 ASN 67 74.715 -5.741 -5.189
449 2HD2 ASN 67 2HD2 ASN 67 75.113 -7.377 -4.771
450 H ASP 68 H ASP 68 72.455 -4.920 -6.503
451 HA ASP 68 HA ASP 68 70.049 -6.519 -5.931
452 1HB ASP 68 2HB ASP 68 72.072 -6.750 -4.306
453 2HB ASP 68 1HB ASP 68 71.615 -5.143 -3.757
454 H ASN 69 H ASN 69 69.762 -4.339 -3.651
455 HA ASN 69 HA ASN 69 68.163 -2.702 -5.498
456 1HB ASN 69 2HB ASN 69 67.210 -4.242 -3.591
457 2HB ASN 69 1HB ASN 69 67.573 -2.847 -2.580
458 1HD2 ASN 69 1HD2 ASN 69 66.400 -0.977 -2.842
459 2HD2 ASN 69 2HD2 ASN 69 64.934 -0.921 -3.760
460 H ASP 70 H ASP 70 68.439 -0.651 -5.679
461 HA ASP 70 HA ASP 70 70.727 0.666 -4.727
462 1HB ASP 70 2HB ASP 70 69.082 0.943 -6.818
463 2HB ASP 70 1HB ASP 70 68.445 2.226 -5.791
464 H CYS 71 H CYS 71 69.859 3.300 -4.376
465 HA CYS 71 HA CYS 71 67.787 3.853 -2.641
466 1HB CYS 71 2HB CYS 71 68.992 2.391 -1.009
467 2HB CYS 71 1HB CYS 71 70.348 3.513 -1.064
468 H GLY 72 H GLY 72 71.067 4.539 -3.617
469 1HA GLY 72 2HA GLY 72 71.964 6.596 -4.249
470 2HA GLY 72 1HA GLY 72 70.523 7.396 -3.635
471 H ASP 73 H ASP 73 71.618 5.174 -1.450
472 HA ASP 73 HA ASP 73 73.158 7.169 0.059
473 1HB ASP 73 2HB ASP 73 71.052 6.911 1.162
474 2HB ASP 73 1HB ASP 73 71.102 5.162 0.998
475 H ASN 74 H ASN 74 72.468 3.733 0.554
476 HA ASN 74 HA ASN 74 74.893 2.669 -0.308
477 1HB ASN 74 2HB ASN 74 75.724 4.091 1.647
478 2HB ASN 74 1HB ASN 74 74.853 2.986 2.699
479 1HD2 ASN 74 1HD2 ASN 74 75.584 0.843 2.904
480 2HD2 ASN 74 2HD2 ASN 74 77.188 0.390 2.445
481 H SER 75 H SER 75 72.632 1.616 -0.825
482 HA SER 75 HA SER 75 71.851 -0.281 1.232
483 1HB SER 75 2HB SER 75 70.681 0.443 -1.427
484 2HB SER 75 1HB SER 75 70.092 -0.923 -0.478
485 HG SER 75 HG SER 75 68.951 1.073 -0.152
486 H ASP 76 H ASP 76 71.548 -1.146 -2.063
487 HA ASP 76 HA ASP 76 72.727 -3.633 -1.950
488 1HB ASP 76 2HB ASP 76 71.376 -3.066 -3.821
489 2HB ASP 76 1HB ASP 76 72.380 -1.678 -4.219
490 H GLU 77 H GLU 77 74.049 -0.719 -3.373
491 HA GLU 77 HA GLU 77 76.717 -1.456 -2.459
492 1HB GLU 77 2HB GLU 77 77.273 -0.046 -4.715
493 2HB GLU 77 1HB GLU 77 77.224 -1.800 -4.633
494 1HG GLU 77 2HG GLU 77 75.997 -1.063 -6.552
495 2HG GLU 77 1HG GLU 77 74.870 -1.740 -5.382
496 H ALA 78 H ALA 78 74.733 1.116 -3.743
497 HA ALA 78 HA ALA 78 74.809 2.839 -1.585
498 1HB ALA 78 1HB ALA 78 76.928 3.543 -3.615
499 2HB ALA 78 2HB ALA 78 77.211 3.058 -1.944
500 3HB ALA 78 3HB ALA 78 76.389 4.577 -2.293
501 H GLY 79 H GLY 79 75.286 3.038 -5.105
502 1HA GLY 79 2HA GLY 79 72.705 4.021 -5.665
503 2HA GLY 79 1HA GLY 79 73.827 5.369 -5.547
504 H CYS 80 H CYS 80 72.708 2.752 -7.433
505 HA CYS 80 HA CYS 80 74.850 2.669 -9.336
506 1HB CYS 80 2HB CYS 80 73.508 0.711 -9.045
507 2HB CYS 80 1HB CYS 80 72.021 1.614 -9.302
508 H SER 81 H SER 81 72.435 4.886 -8.700
509 HA SER 81 HA SER 81 72.123 5.750 -11.470
510 1HB SER 81 2HB SER 81 70.875 6.854 -8.944
511 2HB SER 81 1HB SER 81 70.426 7.263 -10.602
512 HG SER 81 HG SER 81 70.385 4.586 -9.741
513 H HIS 82 HN HIS 82 73.923 6.755 -12.116
514 HA HIS 82 HA HIS 82 75.317 8.496 -12.502
515 1HB HIS 82 2HB HIS 82 73.778 9.826 -10.270
516 2HB HIS 82 1HB HIS 82 75.071 10.615 -11.166
517 HD1 HIS 82 HD1 HIS 82 74.580 11.016 -13.786
518 HD2 HIS 82 HD2 HIS 82 71.333 9.845 -11.464
519 HE1 HIS 82 HE1 HIS 82 72.505 11.560 -15.131
Start of MODEL 6
1 1H SER 1 1HT SER 1 27.670 -4.435 5.499
2 2H SER 1 2HT SER 1 27.324 -5.862 4.661
3 3H SER 1 3HT SER 1 27.490 -4.407 3.821
4 HA SER 1 HA SER 1 29.650 -5.730 5.340
5 1HB SER 1 2HB SER 1 29.277 -5.560 2.338
6 2HB SER 1 1HB SER 1 30.533 -6.441 3.207
7 HG SER 1 HG SER 1 29.138 -8.017 2.953
8 H ALA 2 H ALA 2 31.798 -4.832 4.621
9 HA ALA 2 HA ALA 2 31.566 -1.909 4.420
10 1HB ALA 2 1HB ALA 2 33.837 -1.842 5.310
11 2HB ALA 2 2HB ALA 2 33.915 -3.605 5.266
12 3HB ALA 2 3HB ALA 2 32.782 -2.800 6.351
13 H ARG 3 H ARG 3 33.684 -0.965 3.338
14 HA ARG 3 HA ARG 3 34.512 -2.465 0.996
15 1HB ARG 3 2HB ARG 3 33.812 -0.876 -0.622
16 2HB ARG 3 1HB ARG 3 32.406 -1.208 0.365
17 1HG ARG 3 2HG ARG 3 34.162 1.221 0.685
18 2HG ARG 3 1HG ARG 3 32.685 1.178 -0.270
19 1HD ARG 3 2HD ARG 3 31.887 2.034 1.699
20 2HD ARG 3 1HD ARG 3 31.642 0.311 1.986
21 HE ARG 3 HE ARG 3 34.202 1.116 2.899
22 1HH1 ARG 3 1HH1 ARG 3 30.804 1.328 3.734
23 2HH1 ARG 3 2HH1 ARG 3 31.101 1.494 5.433
24 1HH2 ARG 3 1HH2 ARG 3 34.593 1.324 5.135
25 2HH2 ARG 3 2HH2 ARG 3 33.261 1.489 6.232
26 H THR 4 H THR 4 36.544 -1.939 0.331
27 HA THR 4 HA THR 4 37.775 0.506 1.319
28 HB THR 4 HB THR 4 39.839 -0.919 1.950
29 HG1 THR 4 HG1 THR 4 39.262 -3.021 2.694
30 1HG2 THR 4 1HG2 THR 4 38.546 0.361 3.581
31 2HG2 THR 4 2HG2 THR 4 39.039 -1.196 4.249
32 3HG2 THR 4 3HG2 THR 4 37.381 -0.960 3.702
33 H CYS 5 H CYS 5 39.337 -2.357 0.121
34 HA CYS 5 HA CYS 5 39.781 -1.320 -2.535
35 1HB CYS 5 2HB CYS 5 41.408 -0.170 -0.821
36 2HB CYS 5 1HB CYS 5 42.227 -1.729 -0.826
37 HA PRO 6 HA PRO 6 39.995 -5.665 -3.342
38 1HB PRO 6 2HB PRO 6 42.326 -5.264 -5.122
39 2HB PRO 6 1HB PRO 6 40.732 -5.925 -5.491
40 1HG PRO 6 2HG PRO 6 41.440 -3.499 -6.328
41 2HG PRO 6 1HG PRO 6 39.784 -3.829 -5.769
42 1HD PRO 6 2HD PRO 6 42.047 -2.486 -4.334
43 2HD PRO 6 1HD PRO 6 40.327 -2.040 -4.382
44 HA PRO 7 HA PRO 7 43.082 -7.860 -1.025
45 1HB PRO 7 2HB PRO 7 43.894 -9.817 -2.846
46 2HB PRO 7 1HB PRO 7 42.520 -9.945 -1.746
47 1HG PRO 7 2HG PRO 7 42.574 -9.205 -4.632
48 2HG PRO 7 1HG PRO 7 41.379 -10.163 -3.737
49 1HD PRO 7 2HD PRO 7 40.889 -7.619 -4.427
50 2HD PRO 7 1HD PRO 7 40.332 -8.278 -2.876
51 H ASN 8 H ASN 8 45.176 -7.506 -0.608
52 HA ASN 8 HA ASN 8 47.362 -6.927 -0.807
53 1HB ASN 8 2HB ASN 8 47.264 -8.672 -2.711
54 2HB ASN 8 1HB ASN 8 47.227 -7.286 -3.795
55 1HD2 ASN 8 1HD2 ASN 8 49.075 -6.036 -4.042
56 2HD2 ASN 8 2HD2 ASN 8 50.615 -6.537 -3.446
57 H GLN 9 H GLN 9 44.961 -5.147 -1.385
58 HA GLN 9 HA GLN 9 46.491 -2.867 -2.405
59 1HB GLN 9 2HB GLN 9 44.025 -3.969 -3.451
60 2HB GLN 9 1HB GLN 9 43.802 -2.312 -2.920
61 1HG GLN 9 2HG GLN 9 44.376 -2.218 -5.201
62 2HG GLN 9 1HG GLN 9 45.787 -1.682 -4.295
63 1HE2 GLN 9 1HE2 GLN 9 44.854 -5.015 -4.533
64 2HE2 GLN 9 2HE2 GLN 9 46.163 -5.521 -5.517
65 H PHE 10 H PHE 10 46.072 -0.924 -1.473
66 HA PHE 10 HA PHE 10 44.371 -0.938 0.919
67 1HB PHE 10 2HB PHE 10 46.647 -1.091 1.683
68 2HB PHE 10 1HB PHE 10 47.156 0.180 0.578
69 HD1 PHE 10 HD1 PHE 10 47.360 2.320 1.340
70 HD2 PHE 10 HD2 PHE 10 44.855 -0.394 3.461
71 HE1 PHE 10 HE1 PHE 10 47.011 3.999 3.101
72 HE2 PHE 10 HE2 PHE 10 44.501 1.295 5.222
73 HZ PHE 10 HZ PHE 10 45.592 3.508 5.035
74 H SER 11 H SER 11 43.194 0.903 1.217
75 HA SER 11 HA SER 11 43.046 2.616 -1.119
76 1HB SER 11 2HB SER 11 41.041 1.280 -0.722
77 2HB SER 11 1HB SER 11 40.945 1.880 0.931
78 HG SER 11 HG SER 11 40.547 3.312 -1.482
79 H CYS 12 H CYS 12 43.846 4.602 -0.854
80 HA CYS 12 HA CYS 12 44.170 5.896 1.608
81 1HB CYS 12 2HB CYS 12 43.821 7.148 -1.128
82 2HB CYS 12 1HB CYS 12 44.260 8.040 0.320
83 H ALA 13 H ALA 13 42.875 7.195 2.771
84 HA ALA 13 HA ALA 13 40.536 6.481 3.522
85 1HB ALA 13 1HB ALA 13 41.103 9.392 3.062
86 2HB ALA 13 2HB ALA 13 41.667 8.430 4.431
87 3HB ALA 13 3HB ALA 13 39.941 8.730 4.219
88 H SER 14 H SER 14 39.187 5.536 2.142
89 HA SER 14 HA SER 14 37.482 5.244 0.693
90 1HB SER 14 2HB SER 14 36.592 7.887 1.856
91 2HB SER 14 1HB SER 14 35.558 6.644 1.146
92 HG SER 14 HG SER 14 36.942 6.633 3.588
93 H GLY 15 H GLY 15 38.810 5.486 -1.197
94 1HA GLY 15 2HA GLY 15 37.488 6.600 -3.245
95 2HA GLY 15 1HA GLY 15 38.445 7.959 -2.681
96 H ARG 16 H ARG 16 40.793 6.507 -1.979
97 HA ARG 16 HA ARG 16 41.807 6.175 -4.697
98 1HB ARG 16 2HB ARG 16 43.326 6.441 -2.092
99 2HB ARG 16 1HB ARG 16 44.028 6.442 -3.703
100 1HG ARG 16 2HG ARG 16 43.984 8.692 -3.073
101 2HG ARG 16 1HG ARG 16 42.600 8.508 -4.148
102 1HD ARG 16 2HD ARG 16 41.146 8.274 -2.129
103 2HD ARG 16 1HD ARG 16 42.550 8.618 -1.119
104 HE ARG 16 HE ARG 16 42.464 10.724 -2.827
105 1HH1 ARG 16 1HH1 ARG 16 40.126 9.264 -0.664
106 2HH1 ARG 16 2HH1 ARG 16 39.260 10.737 -0.399
107 1HH2 ARG 16 1HH2 ARG 16 41.326 12.682 -2.457
108 2HH2 ARG 16 2HH2 ARG 16 39.937 12.684 -1.421
109 H CYS 17 H CYS 17 43.873 4.492 -4.515
110 HA CYS 17 HA CYS 17 43.407 2.147 -3.023
111 1HB CYS 17 2HB CYS 17 41.833 2.418 -5.433
112 2HB CYS 17 1HB CYS 17 42.935 1.051 -5.564
113 H ILE 18 H ILE 18 45.560 2.091 -2.699
114 HA ILE 18 HA ILE 18 47.300 1.851 -5.064
115 HB ILE 18 HB ILE 18 48.996 2.924 -3.887
116 1HG1 ILE 18 2HG1 ILE 18 47.585 2.252 -1.296
117 2HG1 ILE 18 1HG1 ILE 18 48.940 1.347 -1.971
118 1HG2 ILE 18 1HG2 ILE 18 46.527 4.037 -2.537
119 2HG2 ILE 18 2HG2 ILE 18 47.069 4.463 -4.164
120 3HG2 ILE 18 3HG2 ILE 18 48.066 4.872 -2.766
121 1HD1 ILE 18 1HD1 ILE 18 50.362 3.310 -1.765
122 2HD1 ILE 18 2HD1 ILE 18 49.670 2.845 -0.209
123 3HD1 ILE 18 3HD1 ILE 18 49.007 4.217 -1.096
124 HA PRO 19 HA PRO 19 48.090 -2.342 -3.710
125 1HB PRO 19 2HB PRO 19 50.904 -2.032 -4.520
126 2HB PRO 19 1HB PRO 19 49.667 -3.119 -5.161
127 1HG PRO 19 2HG PRO 19 50.570 -1.005 -6.566
128 2HG PRO 19 1HG PRO 19 48.888 -1.557 -6.672
129 1HD PRO 19 2HD PRO 19 50.032 0.755 -5.152
130 2HD PRO 19 1HD PRO 19 48.516 0.650 -6.074
131 H ILE 20 H ILE 20 48.863 -3.343 -1.844
132 HA ILE 20 HA ILE 20 50.005 -1.595 0.131
133 HB ILE 20 HB ILE 20 49.647 -4.537 0.472
134 1HG1 ILE 20 2HG1 ILE 20 47.602 -2.340 0.778
135 2HG1 ILE 20 1HG1 ILE 20 47.526 -3.704 -0.329
136 1HG2 ILE 20 1HG2 ILE 20 49.348 -3.905 2.840
137 2HG2 ILE 20 2HG2 ILE 20 49.646 -2.223 2.402
138 3HG2 ILE 20 3HG2 ILE 20 50.921 -3.423 2.205
139 1HD1 ILE 20 1HD1 ILE 20 47.390 -3.838 2.668
140 2HD1 ILE 20 2HD1 ILE 20 47.351 -5.226 1.578
141 3HD1 ILE 20 3HD1 ILE 20 46.045 -4.037 1.544
142 H SER 21 H SER 21 51.867 -1.384 -1.453
143 HA SER 21 HA SER 21 54.075 -2.774 -0.155
144 1HB SER 21 2HB SER 21 53.756 -4.018 -2.268
145 2HB SER 21 1HB SER 21 53.790 -2.506 -3.172
146 HG SER 21 HG SER 21 55.982 -2.425 -1.841
147 H TRP 22 H TRP 22 52.467 -0.183 -0.609
148 HA TRP 22 HA TRP 22 54.651 1.561 -1.547
149 1HB TRP 22 2HB TRP 22 51.667 1.970 -1.627
150 2HB TRP 22 1HB TRP 22 52.838 3.203 -2.081
151 HD1 TRP 22 HD1 TRP 22 52.612 -0.538 -3.083
152 HE1 TRP 22 HE1 TRP 22 52.688 -0.669 -5.636
153 HE3 TRP 22 HE3 TRP 22 52.777 4.444 -4.139
154 HZ2 TRP 22 HZ2 TRP 22 52.809 1.097 -7.836
155 HZ3 TRP 22 HZ3 TRP 22 52.874 5.148 -6.500
156 HH2 TRP 22 HH2 TRP 22 52.887 3.505 -8.310
157 H THR 23 H THR 23 52.334 1.115 0.985
158 HA THR 23 HA THR 23 52.453 3.623 2.187
159 HB THR 23 HB THR 23 51.541 2.537 4.195
160 HG1 THR 23 HG1 THR 23 52.660 0.608 4.279
161 1HG2 THR 23 1HG2 THR 23 50.064 2.995 2.255
162 2HG2 THR 23 2HG2 THR 23 49.542 1.599 3.196
163 3HG2 THR 23 3HG2 THR 23 50.380 1.361 1.664
164 H CYS 24 H CYS 24 54.638 0.996 2.329
165 HA CYS 24 HA CYS 24 56.169 2.193 4.460
166 1HB CYS 24 2HB CYS 24 55.479 -0.344 4.241
167 2HB CYS 24 1HB CYS 24 56.942 -0.417 3.259
168 H ASP 25 H ASP 25 56.075 2.985 1.421
169 HA ASP 25 HA ASP 25 58.641 2.170 0.372
170 1HB ASP 25 2HB ASP 25 56.445 3.952 -0.597
171 2HB ASP 25 1HB ASP 25 58.033 4.092 -1.335
172 H LEU 26 H LEU 26 57.422 4.909 2.098
173 HA LEU 26 HA LEU 26 58.306 6.862 2.806
174 1HB LEU 26 2HB LEU 26 60.939 5.617 1.966
175 2HB LEU 26 1HB LEU 26 60.815 7.202 2.703
176 HG LEU 26 HG LEU 26 59.973 4.604 3.994
177 1HD1 LEU 26 1HD1 LEU 26 62.345 6.398 4.491
178 2HD1 LEU 26 2HD1 LEU 26 62.380 4.780 3.791
179 3HD1 LEU 26 3HD1 LEU 26 61.892 5.002 5.471
180 1HD2 LEU 26 1HD2 LEU 26 59.732 5.978 6.024
181 2HD2 LEU 26 2HD2 LEU 26 58.597 6.447 4.758
182 3HD2 LEU 26 3HD2 LEU 26 60.032 7.426 5.061
183 H ASP 27 H ASP 27 57.417 6.237 0.057
184 HA ASP 27 HA ASP 27 58.684 8.502 -1.345
185 1HB ASP 27 2HB ASP 27 58.996 6.079 -2.297
186 2HB ASP 27 1HB ASP 27 57.331 6.271 -2.837
187 H ASP 28 H ASP 28 57.005 9.070 -3.304
188 HA ASP 28 HA ASP 28 55.080 10.521 -1.764
189 1HB ASP 28 2HB ASP 28 56.356 11.530 -3.610
190 2HB ASP 28 1HB ASP 28 55.541 10.469 -4.751
191 H ASP 29 H ASP 29 53.511 9.069 -1.007
192 HA ASP 29 HA ASP 29 51.469 8.529 -3.045
193 1HB ASP 29 2HB ASP 29 52.761 6.467 -2.034
194 2HB ASP 29 1HB ASP 29 51.741 6.764 -0.629
195 H CYS 30 H CYS 30 49.588 7.587 -1.027
196 HA CYS 30 HA CYS 30 49.445 9.866 0.812
197 1HB CYS 30 2HB CYS 30 46.876 9.548 0.666
198 2HB CYS 30 1HB CYS 30 47.695 10.477 -0.578
199 H GLY 31 H GLY 31 48.632 6.525 0.105
200 1HA GLY 31 2HA GLY 31 47.927 4.784 1.418
201 2HA GLY 31 1HA GLY 31 48.871 5.535 2.701
202 H ASP 32 H ASP 32 47.868 7.245 3.887
203 HA ASP 32 HA ASP 32 44.990 7.561 3.692
204 1HB ASP 32 2HB ASP 32 45.150 5.674 5.282
205 2HB ASP 32 1HB ASP 32 46.253 6.612 6.285
206 H ARG 33 H ARG 33 46.437 9.402 2.876
207 HA ARG 33 HA ARG 33 47.096 11.570 3.061
208 1HB ARG 33 2HB ARG 33 45.589 12.576 4.403
209 2HB ARG 33 1HB ARG 33 45.483 11.169 5.453
210 1HG ARG 33 2HG ARG 33 47.889 12.134 6.176
211 2HG ARG 33 1HG ARG 33 47.059 13.629 5.741
212 1HD ARG 33 2HD ARG 33 46.832 12.981 8.149
213 2HD ARG 33 1HD ARG 33 45.296 13.184 7.306
214 HE ARG 33 HE ARG 33 45.254 10.710 7.105
215 1HH1 ARG 33 1HH1 ARG 33 47.257 12.164 9.568
216 2HH1 ARG 33 2HH1 ARG 33 47.189 10.789 10.616
217 1HH2 ARG 33 1HH2 ARG 33 45.166 8.876 8.444
218 2HH2 ARG 33 2HH2 ARG 33 45.996 8.911 9.975
219 H SER 34 H SER 34 47.997 9.479 5.758
220 HA SER 34 HA SER 34 50.790 10.190 5.311
221 1HB SER 34 2HB SER 34 49.550 10.084 8.078
222 2HB SER 34 1HB SER 34 51.235 10.436 7.692
223 HG SER 34 HG SER 34 50.013 12.162 6.291
224 H ASP 35 H ASP 35 50.603 8.137 4.203
225 HA ASP 35 HA ASP 35 50.133 5.717 5.679
226 1HB ASP 35 2HB ASP 35 51.053 4.601 3.647
227 2HB ASP 35 1HB ASP 35 49.735 5.717 3.296
228 H GLU 36 H GLU 36 52.684 7.858 5.422
229 HA GLU 36 HA GLU 36 54.703 5.810 5.968
230 1HB GLU 36 2HB GLU 36 54.982 8.713 5.172
231 2HB GLU 36 1HB GLU 36 56.342 7.672 5.566
232 1HG GLU 36 2HG GLU 36 54.387 7.203 3.325
233 2HG GLU 36 1HG GLU 36 55.991 7.912 3.150
234 H SER 37 H SER 37 53.391 5.770 8.018
235 HA SER 37 HA SER 37 55.049 6.560 10.097
236 1HB SER 37 2HB SER 37 53.389 8.125 11.277
237 2HB SER 37 1HB SER 37 54.279 8.808 9.919
238 HG SER 37 HG SER 37 52.490 9.005 8.823
239 H ALA 38 H ALA 38 51.502 6.366 9.773
240 HA ALA 38 HA ALA 38 51.532 4.378 11.934
241 1HB ALA 38 1HB ALA 38 49.208 4.999 12.316
242 2HB ALA 38 2HB ALA 38 49.266 6.089 10.930
243 3HB ALA 38 3HB ALA 38 50.259 6.413 12.352
244 H SER 39 H SER 39 51.731 4.050 8.795
245 HA SER 39 HA SER 39 49.537 2.114 8.594
246 1HB SER 39 2HB SER 39 51.155 3.338 6.358
247 2HB SER 39 1HB SER 39 49.776 2.256 6.173
248 HG SER 39 HG SER 39 48.510 3.858 7.254
249 H CYS 40 H CYS 40 53.055 2.414 7.957
250 HA CYS 40 HA CYS 40 53.155 -0.452 7.486
251 1HB CYS 40 2HB CYS 40 54.549 0.941 6.064
252 2HB CYS 40 1HB CYS 40 55.377 1.602 7.471
253 H ALA 41 H ALA 41 53.882 1.811 10.031
254 HA ALA 41 HA ALA 41 54.507 1.584 12.194
255 1HB ALA 41 1HB ALA 41 54.174 -1.384 11.790
256 2HB ALA 41 2HB ALA 41 52.903 -0.272 12.295
257 3HB ALA 41 3HB ALA 41 54.297 -0.548 13.338
258 H TYR 42 H TYR 42 56.069 -0.360 9.845
259 HA TYR 42 HA TYR 42 58.216 -0.747 9.311
260 1HB TYR 42 2HB TYR 42 58.935 1.442 11.248
261 2HB TYR 42 1HB TYR 42 59.879 0.874 9.878
262 HD1 TYR 42 HD1 TYR 42 58.795 1.186 7.525
263 HD2 TYR 42 HD2 TYR 42 57.530 3.254 11.018
264 HE1 TYR 42 HE1 TYR 42 57.741 2.921 6.102
265 HE2 TYR 42 HE2 TYR 42 56.490 4.985 9.628
266 HH TYR 42 HH TYR 42 56.508 4.790 6.086
267 HA PRO 43 HA PRO 43 59.191 -3.173 13.185
268 1HB PRO 43 2HB PRO 43 58.681 -5.479 11.455
269 2HB PRO 43 1HB PRO 43 58.035 -5.138 13.061
270 1HG PRO 43 2HG PRO 43 56.501 -5.062 10.841
271 2HG PRO 43 1HG PRO 43 56.211 -4.001 12.232
272 1HD PRO 43 2HD PRO 43 57.557 -3.397 9.627
273 2HD PRO 43 1HD PRO 43 56.426 -2.399 10.568
274 H THR 44 H THR 44 59.715 -3.395 9.776
275 HA THR 44 HA THR 44 62.580 -3.328 10.133
276 HB THR 44 HB THR 44 61.428 -5.510 8.393
277 HG1 THR 44 HG1 THR 44 61.898 -5.504 11.158
278 1HG2 THR 44 1HG2 THR 44 63.705 -4.647 8.002
279 2HG2 THR 44 2HG2 THR 44 63.666 -6.358 8.431
280 3HG2 THR 44 3HG2 THR 44 64.140 -5.152 9.632
281 H CYS 45 H CYS 45 60.200 -1.890 9.049
282 HA CYS 45 HA CYS 45 59.276 -0.870 7.252
283 1HB CYS 45 2HB CYS 45 62.107 -1.057 6.207
284 2HB CYS 45 1HB CYS 45 60.827 -0.107 5.453
285 H PHE 46 H PHE 46 59.637 -3.894 7.360
286 HA PHE 46 HA PHE 46 58.717 -4.351 4.639
287 1HB PHE 46 2HB PHE 46 61.006 -4.946 4.425
288 2HB PHE 46 1HB PHE 46 61.002 -5.816 5.955
289 HD1 PHE 46 HD1 PHE 46 58.375 -6.083 3.408
290 HD2 PHE 46 HD2 PHE 46 61.806 -7.892 5.133
291 HE1 PHE 46 HE1 PHE 46 57.833 -8.157 2.246
292 HE2 PHE 46 HE2 PHE 46 61.298 -9.993 3.952
293 HZ PHE 46 HZ PHE 46 59.303 -10.136 2.503
294 HA PRO 47 HA PRO 47 56.059 -7.078 6.998
295 1HB PRO 47 2HB PRO 47 53.804 -5.614 7.020
296 2HB PRO 47 1HB PRO 47 55.074 -5.374 8.224
297 1HG PRO 47 2HG PRO 47 54.260 -3.632 6.012
298 2HG PRO 47 1HG PRO 47 55.224 -3.248 7.445
299 1HD PRO 47 2HD PRO 47 56.128 -3.892 4.745
300 2HD PRO 47 1HD PRO 47 57.065 -3.260 6.114
301 H LEU 48 H LEU 48 56.406 -5.892 3.944
302 HA LEU 48 HA LEU 48 54.061 -7.311 2.867
303 1HB LEU 48 2HB LEU 48 55.002 -4.837 1.484
304 2HB LEU 48 1HB LEU 48 53.392 -5.524 1.572
305 HG LEU 48 HG LEU 48 54.696 -4.269 3.957
306 1HD1 LEU 48 1HD1 LEU 48 53.042 -2.890 1.834
307 2HD1 LEU 48 2HD1 LEU 48 54.730 -2.566 2.232
308 3HD1 LEU 48 3HD1 LEU 48 53.460 -2.192 3.399
309 1HD2 LEU 48 1HD2 LEU 48 52.740 -5.644 4.382
310 2HD2 LEU 48 2HD2 LEU 48 51.816 -4.742 3.179
311 3HD2 LEU 48 3HD2 LEU 48 52.361 -3.944 4.655
312 H THR 49 H THR 49 56.654 -5.391 1.415
313 HA THR 49 HA THR 49 58.282 -7.501 0.567
314 HB THR 49 HB THR 49 56.423 -8.123 -0.871
315 HG1 THR 49 HG1 THR 49 57.591 -8.281 -2.721
316 1HG2 THR 49 1HG2 THR 49 55.590 -6.665 -2.650
317 2HG2 THR 49 2HG2 THR 49 56.619 -5.357 -2.068
318 3HG2 THR 49 3HG2 THR 49 55.301 -5.956 -1.060
319 H GLN 50 H GLN 50 59.857 -6.129 1.304
320 HA GLN 50 HA GLN 50 60.294 -3.601 -0.122
321 1HB GLN 50 2HB GLN 50 60.346 -3.753 2.890
322 2HB GLN 50 1HB GLN 50 60.385 -2.316 1.883
323 1HG GLN 50 2HG GLN 50 57.988 -4.070 1.769
324 2HG GLN 50 1HG GLN 50 58.223 -3.053 3.186
325 1HE2 GLN 50 1HE2 GLN 50 59.545 -0.956 1.647
326 2HE2 GLN 50 2HE2 GLN 50 58.292 -0.152 0.773
327 H PHE 51 H PHE 51 62.366 -2.550 0.813
328 HA PHE 51 HA PHE 51 64.243 -4.482 1.980
329 1HB PHE 51 2HB PHE 51 64.723 -4.292 -0.469
330 2HB PHE 51 1HB PHE 51 64.980 -2.566 -0.253
331 HD1 PHE 51 HD1 PHE 51 66.195 -5.857 0.996
332 HD2 PHE 51 HD2 PHE 51 67.149 -1.793 0.149
333 HE1 PHE 51 HE1 PHE 51 68.558 -6.302 1.498
334 HE2 PHE 51 HE2 PHE 51 69.498 -2.223 0.667
335 HZ PHE 51 HZ PHE 51 70.215 -4.483 1.341
336 H THR 52 H THR 52 66.019 -3.370 3.156
337 HA THR 52 HA THR 52 65.113 -0.745 4.119
338 HB THR 52 HB THR 52 66.862 -2.650 5.669
339 HG1 THR 52 HG1 THR 52 64.224 -2.620 6.408
340 1HG2 THR 52 1HG2 THR 52 64.975 -0.434 6.485
341 2HG2 THR 52 2HG2 THR 52 66.736 -0.343 6.465
342 3HG2 THR 52 3HG2 THR 52 65.923 -1.434 7.589
343 H CYS 53 H CYS 53 66.350 0.780 3.125
344 HA CYS 53 HA CYS 53 68.970 0.586 2.233
345 1HB CYS 53 2HB CYS 53 67.839 3.037 3.552
346 2HB CYS 53 1HB CYS 53 69.054 2.953 2.279
347 H ASN 54 H ASN 54 70.967 0.616 3.180
348 HA ASN 54 HA ASN 54 71.049 0.023 5.976
349 1HB ASN 54 2HB ASN 54 73.333 -0.504 5.719
350 2HB ASN 54 1HB ASN 54 72.551 -1.036 4.236
351 1HD2 ASN 54 1HD2 ASN 54 73.018 -0.006 2.331
352 2HD2 ASN 54 2HD2 ASN 54 74.318 1.113 2.168
353 H ASN 55 H ASN 55 71.325 2.902 4.159
354 HA ASN 55 HA ASN 55 72.887 4.296 6.111
355 1HB ASN 55 2HB ASN 55 72.896 4.822 3.644
356 2HB ASN 55 1HB ASN 55 71.291 5.512 3.856
357 1HD2 ASN 55 1HD2 ASN 55 71.924 7.545 3.267
358 2HD2 ASN 55 2HD2 ASN 55 72.921 8.543 4.262
359 H GLY 56 H GLY 56 69.924 3.122 6.365
360 1HA GLY 56 2HA GLY 56 68.806 3.638 8.455
361 2HA GLY 56 1HA GLY 56 69.131 5.333 8.147
362 H ARG 57 H ARG 57 68.289 4.339 5.206
363 HA ARG 57 HA ARG 57 65.536 5.224 5.577
364 1HB ARG 57 2HB ARG 57 66.959 4.539 3.008
365 2HB ARG 57 1HB ARG 57 65.456 5.432 3.176
366 1HG ARG 57 2HG ARG 57 66.511 7.343 3.871
367 2HG ARG 57 1HG ARG 57 67.947 6.474 4.435
368 1HD ARG 57 2HD ARG 57 68.556 7.609 2.426
369 2HD ARG 57 1HD ARG 57 68.419 5.887 2.049
370 HE ARG 57 HE ARG 57 65.969 7.220 1.546
371 1HH1 ARG 57 1HH1 ARG 57 69.175 6.781 0.247
372 2HH1 ARG 57 2HH1 ARG 57 68.689 7.036 -1.398
373 1HH2 ARG 57 1HH2 ARG 57 65.313 7.573 -0.629
374 2HH2 ARG 57 2HH2 ARG 57 66.495 7.474 -1.894
375 H CYS 58 H CYS 58 64.032 4.083 3.847
376 HA CYS 58 HA CYS 58 64.459 1.198 3.773
377 1HB CYS 58 2HB CYS 58 61.835 2.487 4.574
378 2HB CYS 58 1HB CYS 58 62.196 0.763 4.527
379 H ILE 59 H ILE 59 63.560 0.242 1.878
380 HA ILE 59 HA ILE 59 62.372 2.165 0.016
381 HB ILE 59 HB ILE 59 63.561 0.926 -1.842
382 1HG1 ILE 59 2HG1 ILE 59 65.611 0.233 0.234
383 2HG1 ILE 59 1HG1 ILE 59 64.298 -0.884 -0.128
384 1HG2 ILE 59 1HG2 ILE 59 65.581 2.296 -1.639
385 2HG2 ILE 59 2HG2 ILE 59 65.160 2.639 0.041
386 3HG2 ILE 59 3HG2 ILE 59 64.110 3.193 -1.264
387 1HD1 ILE 59 1HD1 ILE 59 66.303 -1.435 -1.381
388 2HD1 ILE 59 2HD1 ILE 59 66.310 0.176 -2.102
389 3HD1 ILE 59 3HD1 ILE 59 64.998 -0.946 -2.459
390 H ASN 60 H ASN 60 61.799 0.854 -2.084
391 HA ASN 60 HA ASN 60 59.933 -1.233 -1.336
392 1HB ASN 60 2HB ASN 60 59.455 0.633 -3.014
393 2HB ASN 60 1HB ASN 60 60.555 -0.194 -4.110
394 1HD2 ASN 60 1HD2 ASN 60 57.457 -0.186 -2.622
395 2HD2 ASN 60 2HD2 ASN 60 56.790 -1.519 -3.520
396 H ILE 61 H ILE 61 59.947 -3.315 -2.570
397 HA ILE 61 HA ILE 61 62.624 -4.383 -2.479
398 HB ILE 61 HB ILE 61 60.259 -5.416 -1.774
399 1HG1 ILE 61 2HG1 ILE 61 62.549 -6.330 -1.305
400 2HG1 ILE 61 1HG1 ILE 61 61.308 -7.553 -1.530
401 1HG2 ILE 61 1HG2 ILE 61 60.716 -6.578 -4.512
402 2HG2 ILE 61 2HG2 ILE 61 59.388 -5.514 -4.043
403 3HG2 ILE 61 3HG2 ILE 61 59.521 -7.124 -3.331
404 1HD1 ILE 61 1HD1 ILE 61 62.126 -7.914 -3.825
405 2HD1 ILE 61 2HD1 ILE 61 63.360 -8.227 -2.605
406 3HD1 ILE 61 3HD1 ILE 61 63.397 -6.727 -3.533
407 H ASN 62 H ASN 62 60.714 -3.010 -4.895
408 HA ASN 62 HA ASN 62 61.593 -4.745 -7.041
409 1HB ASN 62 2HB ASN 62 59.837 -2.302 -6.962
410 2HB ASN 62 1HB ASN 62 60.331 -3.051 -8.476
411 1HD2 ASN 62 1HD2 ASN 62 58.380 -3.348 -5.622
412 2HD2 ASN 62 2HD2 ASN 62 57.466 -4.720 -6.153
413 H TRP 63 H TRP 63 63.469 -2.929 -5.455
414 HA TRP 63 HA TRP 63 64.649 -1.534 -7.757
415 1HB TRP 63 2HB TRP 63 65.079 -1.150 -4.785
416 2HB TRP 63 1HB TRP 63 66.050 -0.354 -6.015
417 HD1 TRP 63 HD1 TRP 63 62.392 -0.547 -6.903
418 HE1 TRP 63 HE1 TRP 63 61.310 1.768 -6.599
419 HE3 TRP 63 HE3 TRP 63 66.185 1.816 -4.423
420 HZ2 TRP 63 HZ2 TRP 63 61.974 4.254 -5.474
421 HZ3 TRP 63 HZ3 TRP 63 65.880 4.166 -3.772
422 HH2 TRP 63 HH2 TRP 63 63.814 5.358 -4.287
423 H ARG 64 H ARG 64 64.702 -4.386 -6.343
424 HA ARG 64 HA ARG 64 67.456 -5.016 -6.046
425 1HB ARG 64 2HB ARG 64 65.592 -6.367 -5.082
426 2HB ARG 64 1HB ARG 64 65.120 -6.838 -6.706
427 1HG ARG 64 2HG ARG 64 66.326 -8.663 -6.000
428 2HG ARG 64 1HG ARG 64 67.548 -7.739 -6.877
429 1HD ARG 64 2HD ARG 64 68.217 -6.725 -4.671
430 2HD ARG 64 1HD ARG 64 67.141 -7.889 -3.893
431 HE ARG 64 HE ARG 64 69.260 -8.884 -5.659
432 1HH1 ARG 64 1HH1 ARG 64 67.910 -8.596 -2.447
433 2HH1 ARG 64 2HH1 ARG 64 69.118 -9.592 -1.713
434 1HH2 ARG 64 1HH2 ARG 64 70.835 -10.222 -4.705
435 2HH2 ARG 64 2HH2 ARG 64 70.776 -10.532 -2.999
436 H CYS 65 H CYS 65 68.581 -4.293 -7.831
437 HA CYS 65 HA CYS 65 67.590 -4.888 -10.481
438 1HB CYS 65 2HB CYS 65 69.983 -3.339 -9.516
439 2HB CYS 65 1HB CYS 65 69.610 -3.588 -11.216
440 H ASP 66 H ASP 66 70.921 -4.935 -9.545
441 HA ASP 66 HA ASP 66 71.232 -7.406 -11.093
442 1HB ASP 66 2HB ASP 66 73.602 -6.556 -11.400
443 2HB ASP 66 1HB ASP 66 72.337 -5.614 -12.176
444 H ASN 67 H ASN 67 72.783 -5.725 -8.337
445 HA ASN 67 HA ASN 67 73.805 -8.269 -7.424
446 1HB ASN 67 2HB ASN 67 74.135 -5.540 -6.172
447 2HB ASN 67 1HB ASN 67 74.985 -7.003 -5.696
448 1HD2 ASN 67 1HD2 ASN 67 74.760 -4.438 -7.969
449 2HD2 ASN 67 2HD2 ASN 67 76.199 -4.799 -8.850
450 H ASP 68 H ASP 68 72.324 -5.580 -5.680
451 HA ASP 68 HA ASP 68 70.438 -7.456 -4.440
452 1HB ASP 68 2HB ASP 68 72.576 -6.854 -3.022
453 2HB ASP 68 1HB ASP 68 71.740 -5.329 -2.759
454 H ASN 69 H ASN 69 69.774 -5.050 -2.637
455 HA ASN 69 HA ASN 69 67.892 -3.960 -4.617
456 1HB ASN 69 2HB ASN 69 67.333 -5.324 -2.379
457 2HB ASN 69 1HB ASN 69 67.397 -3.702 -1.699
458 1HD2 ASN 69 1HD2 ASN 69 65.180 -5.597 -2.083
459 2HD2 ASN 69 2HD2 ASN 69 63.985 -4.729 -2.977
460 H ASP 70 H ASP 70 67.836 -1.888 -5.038
461 HA ASP 70 HA ASP 70 70.110 -0.324 -4.480
462 1HB ASP 70 2HB ASP 70 68.324 -0.434 -6.466
463 2HB ASP 70 1HB ASP 70 67.663 0.942 -5.590
464 H CYS 71 H CYS 71 69.037 2.271 -4.415
465 HA CYS 71 HA CYS 71 67.059 3.054 -2.772
466 1HB CYS 71 2HB CYS 71 68.096 1.720 -0.926
467 2HB CYS 71 1HB CYS 71 69.515 2.758 -1.020
468 H GLY 72 H GLY 72 70.324 3.483 -3.833
469 1HA GLY 72 2HA GLY 72 71.114 5.422 -4.901
470 2HA GLY 72 1HA GLY 72 69.823 6.341 -4.144
471 H ASP 73 H ASP 73 70.884 4.685 -1.635
472 HA ASP 73 HA ASP 73 72.884 6.719 -0.900
473 1HB ASP 73 2HB ASP 73 72.269 6.220 1.430
474 2HB ASP 73 1HB ASP 73 70.868 6.729 0.496
475 H ASN 74 H ASN 74 73.237 4.166 -2.367
476 HA ASN 74 HA ASN 74 74.752 2.499 -2.555
477 1HB ASN 74 2HB ASN 74 76.230 4.364 -1.491
478 2HB ASN 74 1HB ASN 74 76.108 3.404 -0.026
479 1HD2 ASN 74 1HD2 ASN 74 76.153 0.833 -1.351
480 2HD2 ASN 74 2HD2 ASN 74 77.761 0.608 -1.943
481 H SER 75 H SER 75 72.294 2.046 -1.199
482 HA SER 75 HA SER 75 72.698 0.306 0.975
483 1HB SER 75 2HB SER 75 70.461 0.575 -0.999
484 2HB SER 75 1HB SER 75 70.441 -0.648 0.274
485 HG SER 75 HG SER 75 70.643 2.177 0.618
486 H ASP 76 H ASP 76 71.510 -0.856 -2.117
487 HA ASP 76 HA ASP 76 72.994 -3.235 -2.040
488 1HB ASP 76 2HB ASP 76 71.097 -3.021 -3.545
489 2HB ASP 76 1HB ASP 76 71.910 -1.729 -4.431
490 H GLU 77 H GLU 77 73.369 -0.417 -4.086
491 HA GLU 77 HA GLU 77 76.160 -0.093 -3.673
492 1HB GLU 77 2HB GLU 77 76.535 -0.362 -6.285
493 2HB GLU 77 1HB GLU 77 76.744 -1.704 -5.176
494 1HG GLU 77 2HG GLU 77 75.528 -2.362 -7.178
495 2HG GLU 77 1HG GLU 77 74.548 -2.553 -5.729
496 H ALA 78 H ALA 78 73.272 0.671 -5.426
497 HA ALA 78 HA ALA 78 72.271 2.684 -5.810
498 1HB ALA 78 1HB ALA 78 73.243 4.779 -5.080
499 2HB ALA 78 2HB ALA 78 74.779 3.978 -4.753
500 3HB ALA 78 3HB ALA 78 73.353 3.573 -3.799
501 H GLY 79 H GLY 79 73.749 1.214 -7.755
502 1HA GLY 79 2HA GLY 79 74.596 3.444 -9.510
503 2HA GLY 79 1HA GLY 79 75.291 1.832 -9.583
504 H CYS 80 H CYS 80 72.013 1.568 -8.967
505 HA CYS 80 HA CYS 80 71.496 1.111 -11.824
506 1HB CYS 80 2HB CYS 80 71.324 -0.931 -10.535
507 2HB CYS 80 1HB CYS 80 70.221 -0.163 -9.397
508 H SER 81 H SER 81 69.469 1.799 -8.944
509 HA SER 81 HA SER 81 67.731 3.308 -10.772
510 1HB SER 81 2HB SER 81 67.071 2.027 -8.115
511 2HB SER 81 1HB SER 81 65.926 2.850 -9.175
512 HG SER 81 HG SER 81 67.423 0.511 -9.789
513 H HIS 82 HN HIS 82 69.402 5.085 -10.389
514 HA HIS 82 HA HIS 82 68.096 7.096 -8.910
515 1HB HIS 82 2HB HIS 82 70.018 5.627 -7.390
516 2HB HIS 82 1HB HIS 82 70.675 7.232 -7.695
517 HD1 HIS 82 HD1 HIS 82 67.419 5.728 -6.390
518 HD2 HIS 82 HD2 HIS 82 69.815 9.095 -5.955
519 HE1 HIS 82 HE1 HIS 82 66.380 7.105 -4.536
Start of MODEL 7
1 1H SER 1 1HT SER 1 35.667 -5.335 5.470
2 2H SER 1 2HT SER 1 37.149 -5.226 4.662
3 3H SER 1 3HT SER 1 36.779 -6.605 5.571
4 HA SER 1 HA SER 1 36.555 -6.988 3.185
5 1HB SER 1 2HB SER 1 33.895 -7.026 4.636
6 2HB SER 1 1HB SER 1 34.417 -8.104 3.340
7 HG SER 1 HG SER 1 34.684 -9.139 5.322
8 H ALA 2 H ALA 2 35.669 -6.410 1.221
9 HA ALA 2 HA ALA 2 34.771 -5.098 -0.391
10 1HB ALA 2 1HB ALA 2 32.652 -5.249 0.828
11 2HB ALA 2 2HB ALA 2 32.859 -3.668 0.077
12 3HB ALA 2 3HB ALA 2 33.117 -3.858 1.809
13 H ARG 3 H ARG 3 35.215 -3.147 -1.378
14 HA ARG 3 HA ARG 3 36.377 -1.247 -1.823
15 1HB ARG 3 2HB ARG 3 34.876 -0.338 -0.016
16 2HB ARG 3 1HB ARG 3 36.165 -0.654 1.135
17 1HG ARG 3 2HG ARG 3 37.622 0.857 -0.281
18 2HG ARG 3 1HG ARG 3 36.151 1.314 -1.139
19 1HD ARG 3 2HD ARG 3 36.632 1.615 1.825
20 2HD ARG 3 1HD ARG 3 36.713 2.911 0.635
21 HE ARG 3 HE ARG 3 34.195 1.600 0.554
22 1HH1 ARG 3 1HH1 ARG 3 36.066 3.906 2.392
23 2HH1 ARG 3 2HH1 ARG 3 34.685 4.734 3.027
24 1HH2 ARG 3 1HH2 ARG 3 32.349 2.678 1.389
25 2HH2 ARG 3 2HH2 ARG 3 32.555 4.030 2.450
26 H THR 4 H THR 4 37.654 -3.786 -0.645
27 HA THR 4 HA THR 4 40.076 -2.710 0.554
28 HB THR 4 HB THR 4 40.622 -5.211 0.776
29 HG1 THR 4 HG1 THR 4 39.187 -6.213 -0.529
30 1HG2 THR 4 1HG2 THR 4 39.905 -3.820 2.651
31 2HG2 THR 4 2HG2 THR 4 39.193 -5.431 2.754
32 3HG2 THR 4 3HG2 THR 4 38.218 -4.069 2.202
33 H CYS 5 H CYS 5 39.263 -2.708 -2.439
34 HA CYS 5 HA CYS 5 40.340 -2.701 -4.425
35 1HB CYS 5 2HB CYS 5 42.647 -2.814 -2.518
36 2HB CYS 5 1HB CYS 5 42.935 -2.943 -4.250
37 HA PRO 6 HA PRO 6 40.873 -6.896 -5.827
38 1HB PRO 6 2HB PRO 6 43.014 -6.229 -7.694
39 2HB PRO 6 1HB PRO 6 41.336 -6.651 -8.037
40 1HG PRO 6 2HG PRO 6 42.329 -4.163 -8.435
41 2HG PRO 6 1HG PRO 6 40.637 -4.468 -8.000
42 1HD PRO 6 2HD PRO 6 42.915 -3.586 -6.265
43 2HD PRO 6 1HD PRO 6 41.227 -3.026 -6.284
44 HA PRO 7 HA PRO 7 44.373 -9.083 -4.090
45 1HB PRO 7 2HB PRO 7 44.823 -10.324 -6.762
46 2HB PRO 7 1HB PRO 7 44.625 -11.094 -5.183
47 1HG PRO 7 2HG PRO 7 42.650 -11.129 -6.971
48 2HG PRO 7 1HG PRO 7 42.313 -10.922 -5.244
49 1HD PRO 7 2HD PRO 7 42.307 -8.900 -7.434
50 2HD PRO 7 1HD PRO 7 41.251 -9.027 -6.012
51 H ASN 8 H ASN 8 46.532 -8.765 -3.867
52 HA ASN 8 HA ASN 8 48.634 -7.945 -4.161
53 1HB ASN 8 2HB ASN 8 48.313 -9.202 -6.431
54 2HB ASN 8 1HB ASN 8 48.160 -7.581 -7.102
55 1HD2 ASN 8 1HD2 ASN 8 49.969 -6.230 -7.135
56 2HD2 ASN 8 2HD2 ASN 8 51.567 -6.831 -6.871
57 H GLN 9 H GLN 9 46.110 -6.276 -4.000
58 HA GLN 9 HA GLN 9 47.320 -3.705 -4.695
59 1HB GLN 9 2HB GLN 9 44.973 -4.831 -5.880
60 2HB GLN 9 1HB GLN 9 44.483 -3.482 -4.874
61 1HG GLN 9 2HG GLN 9 44.840 -2.672 -7.076
62 2HG GLN 9 1HG GLN 9 46.139 -2.068 -6.048
63 1HE2 GLN 9 1HE2 GLN 9 46.047 -5.374 -7.179
64 2HE2 GLN 9 2HE2 GLN 9 47.377 -5.244 -8.262
65 H PHE 10 H PHE 10 46.926 -2.109 -3.251
66 HA PHE 10 HA PHE 10 45.677 -2.950 -0.738
67 1HB PHE 10 2HB PHE 10 48.000 -2.552 -0.386
68 2HB PHE 10 1HB PHE 10 47.963 -1.060 -1.318
69 HD1 PHE 10 HD1 PHE 10 45.846 -2.336 1.471
70 HD2 PHE 10 HD2 PHE 10 48.497 0.713 0.095
71 HE1 PHE 10 HE1 PHE 10 45.443 -1.056 3.529
72 HE2 PHE 10 HE2 PHE 10 48.076 1.996 2.147
73 HZ PHE 10 HZ PHE 10 46.551 1.114 3.864
74 H SER 11 H SER 11 44.167 -1.715 0.146
75 HA SER 11 HA SER 11 43.105 0.462 -1.429
76 1HB SER 11 2HB SER 11 41.015 0.025 -0.120
77 2HB SER 11 1HB SER 11 41.540 -1.351 -1.093
78 HG SER 11 HG SER 11 42.135 -0.997 1.664
79 H CYS 12 H CYS 12 43.865 2.239 -0.788
80 HA CYS 12 HA CYS 12 44.922 2.743 1.788
81 1HB CYS 12 2HB CYS 12 45.256 3.762 -0.706
82 2HB CYS 12 1HB CYS 12 44.279 5.016 0.041
83 H ALA 13 H ALA 13 44.150 5.310 2.363
84 HA ALA 13 HA ALA 13 41.805 5.067 3.813
85 1HB ALA 13 1HB ALA 13 43.091 7.584 2.781
86 2HB ALA 13 2HB ALA 13 43.478 6.756 4.286
87 3HB ALA 13 3HB ALA 13 41.894 7.501 4.072
88 H SER 14 H SER 14 40.233 4.159 2.441
89 HA SER 14 HA SER 14 38.126 4.378 1.681
90 1HB SER 14 2HB SER 14 38.732 7.330 1.561
91 2HB SER 14 1HB SER 14 37.138 6.614 1.300
92 HG SER 14 HG SER 14 38.517 7.041 3.637
93 H GLY 15 H GLY 15 40.203 6.584 -0.287
94 1HA GLY 15 2HA GLY 15 38.612 5.622 -2.585
95 2HA GLY 15 1HA GLY 15 39.252 7.246 -2.448
96 H ARG 16 H ARG 16 41.768 5.409 -1.416
97 HA ARG 16 HA ARG 16 42.926 5.559 -4.099
98 1HB ARG 16 2HB ARG 16 44.240 5.181 -1.412
99 2HB ARG 16 1HB ARG 16 45.107 5.155 -2.935
100 1HG ARG 16 2HG ARG 16 44.519 7.479 -3.333
101 2HG ARG 16 1HG ARG 16 43.572 7.506 -1.840
102 1HD ARG 16 2HD ARG 16 45.544 7.086 -0.524
103 2HD ARG 16 1HD ARG 16 46.516 6.874 -1.977
104 HE ARG 16 HE ARG 16 45.274 9.474 -1.681
105 1HH1 ARG 16 1HH1 ARG 16 48.104 7.498 -1.159
106 2HH1 ARG 16 2HH1 ARG 16 49.188 8.842 -0.974
107 1HH2 ARG 16 1HH2 ARG 16 46.719 11.274 -1.405
108 2HH2 ARG 16 2HH2 ARG 16 48.404 10.973 -1.066
109 H CYS 17 H CYS 17 44.046 3.799 -5.034
110 HA CYS 17 HA CYS 17 43.654 1.154 -3.871
111 1HB CYS 17 2HB CYS 17 41.720 1.903 -5.505
112 2HB CYS 17 1HB CYS 17 42.911 1.547 -6.752
113 H ILE 18 H ILE 18 45.824 0.781 -3.707
114 HA ILE 18 HA ILE 18 47.493 1.531 -6.032
115 HB ILE 18 HB ILE 18 49.150 2.362 -4.609
116 1HG1 ILE 18 2HG1 ILE 18 47.784 0.876 -2.355
117 2HG1 ILE 18 1HG1 ILE 18 49.325 0.453 -3.100
118 1HG2 ILE 18 1HG2 ILE 18 47.130 3.768 -4.573
119 2HG2 ILE 18 2HG2 ILE 18 48.039 3.890 -3.067
120 3HG2 ILE 18 3HG2 ILE 18 46.570 2.908 -3.135
121 1HD1 ILE 18 1HD1 ILE 18 50.268 2.569 -2.272
122 2HD1 ILE 18 2HD1 ILE 18 49.706 1.510 -0.978
123 3HD1 ILE 18 3HD1 ILE 18 48.734 2.898 -1.463
124 HA PRO 19 HA PRO 19 48.952 -2.711 -6.047
125 1HB PRO 19 2HB PRO 19 51.616 -1.647 -6.732
126 2HB PRO 19 1HB PRO 19 50.578 -2.760 -7.639
127 1HG PRO 19 2HG PRO 19 50.964 -0.214 -8.426
128 2HG PRO 19 1HG PRO 19 49.423 -1.054 -8.670
129 1HD PRO 19 2HD PRO 19 50.166 0.995 -6.627
130 2HD PRO 19 1HD PRO 19 48.632 0.768 -7.492
131 H ILE 20 H ILE 20 49.783 -3.989 -4.419
132 HA ILE 20 HA ILE 20 51.057 -2.621 -2.217
133 HB ILE 20 HB ILE 20 50.820 -5.584 -2.340
134 1HG1 ILE 20 2HG1 ILE 20 48.639 -3.608 -1.661
135 2HG1 ILE 20 1HG1 ILE 20 48.605 -4.821 -2.932
136 1HG2 ILE 20 1HG2 ILE 20 50.753 -3.536 -0.141
137 2HG2 ILE 20 2HG2 ILE 20 52.091 -4.613 -0.542
138 3HG2 ILE 20 3HG2 ILE 20 50.585 -5.277 0.094
139 1HD1 ILE 20 1HD1 ILE 20 48.602 -6.589 -1.277
140 2HD1 ILE 20 2HD1 ILE 20 47.258 -5.475 -1.013
141 3HD1 ILE 20 3HD1 ILE 20 48.690 -5.389 0.013
142 H SER 21 H SER 21 53.018 -2.001 -3.113
143 HA SER 21 HA SER 21 55.027 -4.024 -2.628
144 1HB SER 21 2HB SER 21 54.720 -4.156 -5.078
145 2HB SER 21 1HB SER 21 54.976 -2.418 -5.205
146 HG SER 21 HG SER 21 57.063 -3.130 -3.979
147 H TRP 22 H TRP 22 53.722 -1.259 -1.877
148 HA TRP 22 HA TRP 22 56.165 0.023 -1.068
149 1HB TRP 22 2HB TRP 22 55.648 2.156 -2.387
150 2HB TRP 22 1HB TRP 22 56.402 0.815 -3.234
151 HD1 TRP 22 HD1 TRP 22 54.825 -0.567 -4.969
152 HE1 TRP 22 HE1 TRP 22 52.790 0.204 -6.341
153 HE3 TRP 22 HE3 TRP 22 53.590 3.640 -2.326
154 HZ2 TRP 22 HZ2 TRP 22 50.919 2.310 -6.310
155 HZ3 TRP 22 HZ3 TRP 22 51.668 4.977 -3.071
156 HH2 TRP 22 HH2 TRP 22 50.361 4.321 -5.020
157 H THR 23 H THR 23 53.586 -0.701 0.247
158 HA THR 23 HA THR 23 52.479 1.715 1.177
159 HB THR 23 HB THR 23 51.908 0.368 3.255
160 HG1 THR 23 HG1 THR 23 53.769 -1.245 2.099
161 1HG2 THR 23 1HG2 THR 23 51.201 -0.866 0.579
162 2HG2 THR 23 2HG2 THR 23 50.397 0.523 1.315
163 3HG2 THR 23 3HG2 THR 23 50.307 -1.061 2.088
164 H CYS 24 H CYS 24 54.109 -0.196 3.512
165 HA CYS 24 HA CYS 24 55.300 1.712 5.042
166 1HB CYS 24 2HB CYS 24 54.936 -0.630 5.638
167 2HB CYS 24 1HB CYS 24 56.174 -1.130 4.501
168 H ASP 25 H ASP 25 56.249 3.216 3.480
169 HA ASP 25 HA ASP 25 58.938 2.458 2.579
170 1HB ASP 25 2HB ASP 25 57.588 1.870 0.711
171 2HB ASP 25 1HB ASP 25 56.648 3.346 0.834
172 H LEU 26 H LEU 26 56.868 4.709 3.924
173 HA LEU 26 HA LEU 26 57.204 6.745 4.827
174 1HB LEU 26 2HB LEU 26 59.951 6.410 3.668
175 2HB LEU 26 1HB LEU 26 59.447 7.928 4.387
176 HG LEU 26 HG LEU 26 59.428 5.279 5.845
177 1HD1 LEU 26 1HD1 LEU 26 61.398 6.122 7.014
178 2HD1 LEU 26 2HD1 LEU 26 61.424 7.536 5.959
179 3HD1 LEU 26 3HD1 LEU 26 61.709 5.929 5.288
180 1HD2 LEU 26 1HD2 LEU 26 59.110 8.116 6.816
181 2HD2 LEU 26 2HD2 LEU 26 59.158 6.676 7.831
182 3HD2 LEU 26 3HD2 LEU 26 57.827 6.912 6.698
183 H ASP 27 H ASP 27 56.330 6.130 1.971
184 HA ASP 27 HA ASP 27 56.538 8.894 0.976
185 1HB ASP 27 2HB ASP 27 57.239 6.892 -0.525
186 2HB ASP 27 1HB ASP 27 55.510 6.600 -0.682
187 H ASP 28 H ASP 28 54.332 9.079 -0.618
188 HA ASP 28 HA ASP 28 52.435 9.611 1.525
189 1HB ASP 28 2HB ASP 28 53.123 11.420 -0.043
190 2HB ASP 28 1HB ASP 28 52.367 10.529 -1.358
191 H ASP 29 H ASP 29 51.911 7.241 1.633
192 HA ASP 29 HA ASP 29 49.362 7.137 0.197
193 1HB ASP 29 2HB ASP 29 49.392 4.769 -0.042
194 2HB ASP 29 1HB ASP 29 50.924 5.356 -0.666
195 H CYS 30 H CYS 30 48.678 4.695 1.986
196 HA CYS 30 HA CYS 30 48.444 5.867 4.546
197 1HB CYS 30 2HB CYS 30 46.004 6.533 4.339
198 2HB CYS 30 1HB CYS 30 47.191 7.607 3.616
199 H GLY 31 H GLY 31 48.853 3.559 4.946
200 1HA GLY 31 2HA GLY 31 46.662 1.741 4.841
201 2HA GLY 31 1HA GLY 31 48.042 1.638 5.930
202 H ASP 32 H ASP 32 47.452 4.446 6.745
203 HA ASP 32 HA ASP 32 44.889 4.294 8.111
204 1HB ASP 32 2HB ASP 32 46.171 3.434 9.901
205 2HB ASP 32 1HB ASP 32 47.558 4.444 9.509
206 H ARG 33 H ARG 33 47.869 6.197 8.167
207 HA ARG 33 HA ARG 33 46.309 8.580 7.442
208 1HB ARG 33 2HB ARG 33 47.587 8.160 9.816
209 2HB ARG 33 1HB ARG 33 48.841 8.973 8.890
210 1HG ARG 33 2HG ARG 33 47.537 10.550 10.181
211 2HG ARG 33 1HG ARG 33 47.330 10.812 8.448
212 1HD ARG 33 2HD ARG 33 45.230 10.909 9.877
213 2HD ARG 33 1HD ARG 33 45.180 9.879 8.447
214 HE ARG 33 HE ARG 33 45.885 8.106 10.321
215 1HH1 ARG 33 1HH1 ARG 33 43.442 10.613 10.422
216 2HH1 ARG 33 2HH1 ARG 33 42.351 9.686 11.394
217 1HH2 ARG 33 1HH2 ARG 33 44.452 6.864 11.562
218 2HH2 ARG 33 2HH2 ARG 33 42.933 7.553 12.050
219 H SER 34 H SER 34 49.779 8.020 7.798
220 HA SER 34 HA SER 34 50.128 8.536 4.922
221 1HB SER 34 2HB SER 34 52.499 9.083 5.576
222 2HB SER 34 1HB SER 34 51.302 10.172 6.280
223 HG SER 34 HG SER 34 53.075 8.571 7.517
224 H ASP 35 H ASP 35 49.471 6.092 6.556
225 HA ASP 35 HA ASP 35 49.822 3.845 6.470
226 1HB ASP 35 2HB ASP 35 50.294 4.024 4.091
227 2HB ASP 35 1HB ASP 35 51.964 4.480 4.443
228 H GLU 36 H GLU 36 52.130 6.044 7.483
229 HA GLU 36 HA GLU 36 53.996 3.953 8.309
230 1HB GLU 36 2HB GLU 36 54.404 6.950 8.334
231 2HB GLU 36 1HB GLU 36 55.636 5.717 8.579
232 1HG GLU 36 2HG GLU 36 54.114 6.254 6.035
233 2HG GLU 36 1HG GLU 36 55.801 6.647 6.355
234 H SER 37 H SER 37 52.229 3.439 9.855
235 HA SER 37 HA SER 37 53.129 4.057 12.425
236 1HB SER 37 2HB SER 37 51.941 6.210 11.982
237 2HB SER 37 1HB SER 37 50.441 5.302 11.794
238 HG SER 37 HG SER 37 51.848 5.955 14.078
239 H ALA 38 H ALA 38 49.805 3.499 11.204
240 HA ALA 38 HA ALA 38 49.575 1.380 13.172
241 1HB ALA 38 1HB ALA 38 47.872 3.141 13.045
242 2HB ALA 38 2HB ALA 38 47.197 1.528 12.821
243 3HB ALA 38 3HB ALA 38 47.441 2.584 11.430
244 H SER 39 H SER 39 50.339 1.453 9.903
245 HA SER 39 HA SER 39 49.093 -1.168 9.497
246 1HB SER 39 2HB SER 39 49.805 -0.624 7.020
247 2HB SER 39 1HB SER 39 48.342 0.073 7.715
248 HG SER 39 HG SER 39 50.279 1.386 6.618
249 H CYS 40 H CYS 40 52.211 0.532 8.939
250 HA CYS 40 HA CYS 40 53.472 -2.067 8.623
251 1HB CYS 40 2HB CYS 40 54.196 -0.195 7.193
252 2HB CYS 40 1HB CYS 40 54.751 0.670 8.625
253 H ALA 41 H ALA 41 53.556 0.638 10.916
254 HA ALA 41 HA ALA 41 54.061 0.756 13.121
255 1HB ALA 41 1HB ALA 41 54.157 -1.223 14.500
256 2HB ALA 41 2HB ALA 41 54.302 -2.245 13.069
257 3HB ALA 41 3HB ALA 41 52.813 -1.346 13.359
258 H TYR 42 H TYR 42 56.139 -0.597 10.869
259 HA TYR 42 HA TYR 42 58.365 -0.689 10.586
260 1HB TYR 42 2HB TYR 42 58.016 1.672 12.369
261 2HB TYR 42 1HB TYR 42 59.651 1.122 12.004
262 HD1 TYR 42 HD1 TYR 42 60.318 3.032 10.677
263 HD2 TYR 42 HD2 TYR 42 56.827 0.824 9.681
264 HE1 TYR 42 HE1 TYR 42 60.238 4.148 8.492
265 HE2 TYR 42 HE2 TYR 42 56.734 1.929 7.495
266 HH TYR 42 HH TYR 42 57.502 3.823 6.373
267 HA PRO 43 HA PRO 43 59.851 -3.027 14.230
268 1HB PRO 43 2HB PRO 43 58.598 -5.388 14.171
269 2HB PRO 43 1HB PRO 43 57.883 -4.003 14.999
270 1HG PRO 43 2HG PRO 43 57.110 -5.270 12.445
271 2HG PRO 43 1HG PRO 43 56.132 -4.314 13.571
272 1HD PRO 43 2HD PRO 43 57.406 -3.444 11.142
273 2HD PRO 43 1HD PRO 43 56.416 -2.490 12.261
274 H THR 44 H THR 44 59.492 -3.222 11.002
275 HA THR 44 HA THR 44 61.816 -4.757 10.480
276 HB THR 44 HB THR 44 59.256 -5.997 9.456
277 HG1 THR 44 HG1 THR 44 60.562 -6.377 11.884
278 1HG2 THR 44 1HG2 THR 44 62.096 -6.992 9.572
279 2HG2 THR 44 2HG2 THR 44 61.255 -6.420 8.131
280 3HG2 THR 44 3HG2 THR 44 60.721 -7.892 8.938
281 H CYS 45 H CYS 45 58.856 -3.323 9.419
282 HA CYS 45 HA CYS 45 58.342 -1.872 7.768
283 1HB CYS 45 2HB CYS 45 61.237 -2.105 6.925
284 2HB CYS 45 1HB CYS 45 60.053 -1.009 6.208
285 H PHE 46 H PHE 46 58.660 -4.941 7.592
286 HA PHE 46 HA PHE 46 58.111 -5.043 4.704
287 1HB PHE 46 2HB PHE 46 60.172 -6.291 5.487
288 2HB PHE 46 1HB PHE 46 59.100 -7.353 6.379
289 HD1 PHE 46 HD1 PHE 46 56.952 -7.966 4.555
290 HD2 PHE 46 HD2 PHE 46 61.095 -7.399 3.751
291 HE1 PHE 46 HE1 PHE 46 56.764 -9.415 2.591
292 HE2 PHE 46 HE2 PHE 46 60.907 -8.841 1.772
293 HZ PHE 46 HZ PHE 46 58.738 -9.855 1.189
294 HA PRO 47 HA PRO 47 54.210 -6.580 6.503
295 1HB PRO 47 2HB PRO 47 52.832 -4.739 4.785
296 2HB PRO 47 1HB PRO 47 52.836 -4.774 6.548
297 1HG PRO 47 2HG PRO 47 53.979 -2.778 5.032
298 2HG PRO 47 1HG PRO 47 54.444 -3.165 6.698
299 1HD PRO 47 2HD PRO 47 55.778 -3.916 4.128
300 2HD PRO 47 1HD PRO 47 56.498 -3.459 5.687
301 H LEU 48 H LEU 48 55.109 -5.414 3.356
302 HA LEU 48 HA LEU 48 54.544 -7.904 2.047
303 1HB LEU 48 2HB LEU 48 52.830 -5.475 1.583
304 2HB LEU 48 1HB LEU 48 52.995 -6.741 0.383
305 HG LEU 48 HG LEU 48 52.122 -7.442 3.160
306 1HD1 LEU 48 1HD1 LEU 48 49.791 -7.150 2.468
307 2HD1 LEU 48 2HD1 LEU 48 50.338 -6.428 0.952
308 3HD1 LEU 48 3HD1 LEU 48 50.664 -5.614 2.483
309 1HD2 LEU 48 1HD2 LEU 48 52.702 -9.233 1.615
310 2HD2 LEU 48 2HD2 LEU 48 51.549 -8.603 0.437
311 3HD2 LEU 48 3HD2 LEU 48 50.978 -9.247 1.977
312 H THR 49 H THR 49 56.575 -7.930 1.220
313 HA THR 49 HA THR 49 58.258 -7.568 -0.235
314 HB THR 49 HB THR 49 57.684 -6.535 -2.447
315 HG1 THR 49 HG1 THR 49 55.739 -5.415 -1.215
316 1HG2 THR 49 1HG2 THR 49 56.201 -8.374 -3.133
317 2HG2 THR 49 2HG2 THR 49 55.882 -8.734 -1.436
318 3HG2 THR 49 3HG2 THR 49 57.507 -8.930 -2.089
319 H GLN 50 H GLN 50 59.475 -6.290 1.124
320 HA GLN 50 HA GLN 50 59.696 -3.482 0.419
321 1HB GLN 50 2HB GLN 50 59.093 -4.451 3.218
322 2HB GLN 50 1HB GLN 50 59.642 -2.829 2.827
323 1HG GLN 50 2HG GLN 50 57.119 -4.019 1.720
324 2HG GLN 50 1HG GLN 50 57.182 -3.103 3.225
325 1HE2 GLN 50 1HE2 GLN 50 59.281 -1.345 2.162
326 2HE2 GLN 50 2HE2 GLN 50 58.461 -0.232 1.139
327 H PHE 51 H PHE 51 61.580 -2.510 1.650
328 HA PHE 51 HA PHE 51 63.538 -4.514 2.526
329 1HB PHE 51 2HB PHE 51 63.963 -3.782 0.143
330 2HB PHE 51 1HB PHE 51 64.223 -2.155 0.763
331 HD1 PHE 51 HD1 PHE 51 66.233 -1.583 1.947
332 HD2 PHE 51 HD2 PHE 51 65.543 -5.565 0.623
333 HE1 PHE 51 HE1 PHE 51 68.598 -2.123 2.350
334 HE2 PHE 51 HE2 PHE 51 67.905 -6.116 1.022
335 HZ PHE 51 HZ PHE 51 69.433 -4.396 1.892
336 H THR 52 H THR 52 65.049 -3.718 4.057
337 HA THR 52 HA THR 52 64.185 -1.238 5.366
338 HB THR 52 HB THR 52 65.945 -3.325 6.637
339 HG1 THR 52 HG1 THR 52 63.242 -3.464 7.219
340 1HG2 THR 52 1HG2 THR 52 64.914 -2.465 8.697
341 2HG2 THR 52 2HG2 THR 52 63.953 -1.338 7.741
342 3HG2 THR 52 3HG2 THR 52 65.707 -1.183 7.784
343 H CYS 53 H CYS 53 65.409 0.312 4.326
344 HA CYS 53 HA CYS 53 68.074 0.097 3.519
345 1HB CYS 53 2HB CYS 53 66.507 1.933 2.916
346 2HB CYS 53 1HB CYS 53 66.724 2.589 4.537
347 H ASN 54 H ASN 54 70.031 0.412 4.497
348 HA ASN 54 HA ASN 54 70.185 -0.213 7.241
349 1HB ASN 54 2HB ASN 54 72.446 -0.438 6.930
350 2HB ASN 54 1HB ASN 54 71.913 -0.536 5.258
351 1HD2 ASN 54 1HD2 ASN 54 72.111 1.355 3.944
352 2HD2 ASN 54 2HD2 ASN 54 73.305 2.544 4.310
353 H ASN 55 H ASN 55 70.326 2.845 5.523
354 HA ASN 55 HA ASN 55 71.227 4.223 7.882
355 1HB ASN 55 2HB ASN 55 72.136 4.727 5.609
356 2HB ASN 55 1HB ASN 55 70.565 5.403 5.189
357 1HD2 ASN 55 1HD2 ASN 55 71.873 7.322 4.762
358 2HD2 ASN 55 2HD2 ASN 55 72.227 8.388 6.082
359 H GLY 56 H GLY 56 68.702 3.053 8.190
360 1HA GLY 56 2HA GLY 56 67.206 3.866 9.804
361 2HA GLY 56 1HA GLY 56 67.473 5.495 9.206
362 H ARG 57 H ARG 57 67.032 4.110 6.412
363 HA ARG 57 HA ARG 57 64.221 4.850 6.437
364 1HB ARG 57 2HB ARG 57 65.858 4.111 4.025
365 2HB ARG 57 1HB ARG 57 64.379 5.060 4.079
366 1HG ARG 57 2HG ARG 57 65.456 6.951 4.783
367 2HG ARG 57 1HG ARG 57 66.802 6.048 5.496
368 1HD ARG 57 2HD ARG 57 67.444 5.352 3.191
369 2HD ARG 57 1HD ARG 57 66.226 6.469 2.569
370 HE ARG 57 HE ARG 57 67.536 8.253 3.716
371 1HH1 ARG 57 1HH1 ARG 57 69.026 5.252 2.749
372 2HH1 ARG 57 2HH1 ARG 57 70.631 5.913 2.663
373 1HH2 ARG 57 1HH2 ARG 57 69.652 9.153 3.574
374 2HH2 ARG 57 2HH2 ARG 57 70.985 8.121 3.138
375 H CYS 58 H CYS 58 62.685 3.568 5.147
376 HA CYS 58 HA CYS 58 63.471 0.766 4.757
377 1HB CYS 58 2HB CYS 58 60.777 1.738 5.745
378 2HB CYS 58 1HB CYS 58 61.222 0.066 5.413
379 H ILE 59 H ILE 59 63.322 0.286 2.608
380 HA ILE 59 HA ILE 59 61.814 2.259 1.063
381 HB ILE 59 HB ILE 59 63.359 2.091 -0.767
382 1HG1 ILE 59 2HG1 ILE 59 65.041 0.220 0.914
383 2HG1 ILE 59 1HG1 ILE 59 63.971 -0.324 -0.374
384 1HG2 ILE 59 1HG2 ILE 59 63.850 3.720 0.949
385 2HG2 ILE 59 2HG2 ILE 59 65.346 3.077 0.271
386 3HG2 ILE 59 3HG2 ILE 59 64.785 2.524 1.849
387 1HD1 ILE 59 1HD1 ILE 59 66.357 1.487 -0.671
388 2HD1 ILE 59 2HD1 ILE 59 65.265 1.036 -1.979
389 3HD1 ILE 59 3HD1 ILE 59 66.239 -0.197 -1.176
390 H ASN 60 H ASN 60 60.978 1.663 -0.966
391 HA ASN 60 HA ASN 60 59.475 -0.624 -1.220
392 1HB ASN 60 2HB ASN 60 59.301 1.498 -2.544
393 2HB ASN 60 1HB ASN 60 60.702 0.986 -3.468
394 1HD2 ASN 60 1HD2 ASN 60 58.042 1.599 -4.374
395 2HD2 ASN 60 2HD2 ASN 60 57.460 0.181 -5.173
396 H ILE 61 H ILE 61 59.795 -2.662 -1.955
397 HA ILE 61 HA ILE 61 62.456 -3.671 -2.086
398 HB ILE 61 HB ILE 61 60.119 -4.773 -1.383
399 1HG1 ILE 61 2HG1 ILE 61 62.410 -5.661 -0.952
400 2HG1 ILE 61 1HG1 ILE 61 61.222 -6.913 -1.284
401 1HG2 ILE 61 1HG2 ILE 61 59.436 -6.475 -3.020
402 2HG2 ILE 61 2HG2 ILE 61 60.541 -5.768 -4.196
403 3HG2 ILE 61 3HG2 ILE 61 59.169 -4.833 -3.603
404 1HD1 ILE 61 1HD1 ILE 61 62.083 -7.158 -3.536
405 2HD1 ILE 61 2HD1 ILE 61 63.373 -7.358 -2.349
406 3HD1 ILE 61 3HD1 ILE 61 63.234 -5.852 -3.255
407 H ASN 62 H ASN 62 60.310 -2.383 -4.381
408 HA ASN 62 HA ASN 62 61.293 -3.917 -6.644
409 1HB ASN 62 2HB ASN 62 58.874 -3.188 -6.311
410 2HB ASN 62 1HB ASN 62 59.403 -1.560 -6.703
411 1HD2 ASN 62 1HD2 ASN 62 58.964 -4.798 -7.916
412 2HD2 ASN 62 2HD2 ASN 62 58.986 -4.386 -9.592
413 H TRP 63 H TRP 63 63.058 -2.052 -5.097
414 HA TRP 63 HA TRP 63 63.822 -0.264 -7.304
415 1HB TRP 63 2HB TRP 63 64.492 -0.186 -4.366
416 2HB TRP 63 1HB TRP 63 65.290 0.835 -5.558
417 HD1 TRP 63 HD1 TRP 63 61.816 0.603 -6.641
418 HE1 TRP 63 HE1 TRP 63 60.454 2.643 -5.864
419 HE3 TRP 63 HE3 TRP 63 65.068 2.471 -3.194
420 HZ2 TRP 63 HZ2 TRP 63 60.728 4.771 -4.024
421 HZ3 TRP 63 HZ3 TRP 63 64.454 4.512 -1.964
422 HH2 TRP 63 HH2 TRP 63 62.325 5.639 -2.373
423 H ARG 64 H ARG 64 64.353 -3.240 -6.326
424 HA ARG 64 HA ARG 64 67.131 -3.639 -6.386
425 1HB ARG 64 2HB ARG 64 64.938 -5.458 -7.425
426 2HB ARG 64 1HB ARG 64 66.598 -5.940 -7.112
427 1HG ARG 64 2HG ARG 64 64.874 -4.823 -4.934
428 2HG ARG 64 1HG ARG 64 64.814 -6.531 -5.379
429 1HD ARG 64 2HD ARG 64 67.223 -6.708 -4.978
430 2HD ARG 64 1HD ARG 64 67.272 -5.007 -4.521
431 HE ARG 64 HE ARG 64 65.549 -5.852 -2.751
432 1HH1 ARG 64 1HH1 ARG 64 68.401 -7.526 -3.924
433 2HH1 ARG 64 2HH1 ARG 64 68.753 -8.260 -2.387
434 1HH2 ARG 64 1HH2 ARG 64 66.019 -6.853 -0.730
435 2HH2 ARG 64 2HH2 ARG 64 67.403 -7.892 -0.590
436 H CYS 65 H CYS 65 68.305 -2.646 -7.943
437 HA CYS 65 HA CYS 65 67.249 -2.489 -10.643
438 1HB CYS 65 2HB CYS 65 68.216 -0.478 -9.640
439 2HB CYS 65 1HB CYS 65 69.751 -1.315 -9.421
440 H ASP 66 H ASP 66 70.315 -3.365 -9.204
441 HA ASP 66 HA ASP 66 70.945 -5.078 -11.493
442 1HB ASP 66 2HB ASP 66 73.242 -5.044 -10.559
443 2HB ASP 66 1HB ASP 66 72.629 -3.416 -10.851
444 H ASN 67 H ASN 67 71.062 -5.155 -7.952
445 HA ASN 67 HA ASN 67 70.234 -7.922 -7.969
446 1HB ASN 67 2HB ASN 67 72.740 -7.954 -8.021
447 2HB ASN 67 1HB ASN 67 72.733 -7.058 -6.505
448 1HD2 ASN 67 1HD2 ASN 67 70.450 -9.596 -7.330
449 2HD2 ASN 67 2HD2 ASN 67 70.993 -10.719 -6.135
450 H ASP 68 H ASP 68 71.202 -5.094 -6.057
451 HA ASP 68 HA ASP 68 69.041 -5.810 -4.193
452 1HB ASP 68 2HB ASP 68 71.592 -5.615 -3.425
453 2HB ASP 68 1HB ASP 68 71.153 -3.911 -3.304
454 H ASN 69 H ASN 69 68.486 -3.523 -2.913
455 HA ASN 69 HA ASN 69 67.389 -2.022 -5.204
456 1HB ASN 69 2HB ASN 69 65.531 -1.439 -3.481
457 2HB ASN 69 1HB ASN 69 65.537 -3.013 -4.261
458 1HD2 ASN 69 1HD2 ASN 69 67.636 -1.964 -1.640
459 2HD2 ASN 69 2HD2 ASN 69 67.032 -3.105 -0.487
460 H ASP 70 H ASP 70 67.798 -0.028 -5.451
461 HA ASP 70 HA ASP 70 69.906 1.198 -4.178
462 1HB ASP 70 2HB ASP 70 68.408 1.626 -6.411
463 2HB ASP 70 1HB ASP 70 67.996 3.022 -5.418
464 H CYS 71 H CYS 71 70.123 2.250 -2.315
465 HA CYS 71 HA CYS 71 67.856 3.905 -1.432
466 1HB CYS 71 2HB CYS 71 68.221 1.875 0.014
467 2HB CYS 71 1HB CYS 71 69.784 2.558 0.455
468 H GLY 72 H GLY 72 70.737 4.150 -2.811
469 1HA GLY 72 2HA GLY 72 71.674 6.262 -3.225
470 2HA GLY 72 1HA GLY 72 70.999 6.841 -1.719
471 H ASP 73 H ASP 73 72.119 5.126 0.173
472 HA ASP 73 HA ASP 73 74.935 5.920 -0.158
473 1HB ASP 73 2HB ASP 73 74.872 5.901 2.460
474 2HB ASP 73 1HB ASP 73 74.264 7.283 1.560
475 H ASN 74 H ASN 74 74.760 3.654 -1.212
476 HA ASN 74 HA ASN 74 75.763 1.619 -1.281
477 1HB ASN 74 2HB ASN 74 77.162 2.786 1.125
478 2HB ASN 74 1HB ASN 74 77.625 1.256 0.392
479 1HD2 ASN 74 1HD2 ASN 74 77.104 2.129 -2.336
480 2HD2 ASN 74 2HD2 ASN 74 78.371 3.235 -2.732
481 H SER 75 H SER 75 73.298 1.934 0.450
482 HA SER 75 HA SER 75 73.464 0.093 2.576
483 1HB SER 75 2HB SER 75 71.632 1.793 2.176
484 2HB SER 75 1HB SER 75 71.033 0.732 0.901
485 HG SER 75 HG SER 75 70.861 -0.916 2.556
486 H ASP 76 H ASP 76 71.941 -0.173 -0.492
487 HA ASP 76 HA ASP 76 71.999 -3.047 -0.654
488 1HB ASP 76 2HB ASP 76 71.111 -2.387 -3.007
489 2HB ASP 76 1HB ASP 76 70.122 -1.950 -1.613
490 H GLU 77 H GLU 77 73.238 -0.380 -2.512
491 HA GLU 77 HA GLU 77 75.860 -1.240 -2.868
492 1HB GLU 77 2HB GLU 77 75.767 -1.703 -5.341
493 2HB GLU 77 1HB GLU 77 75.061 -2.958 -4.342
494 1HG GLU 77 2HG GLU 77 73.498 -2.840 -5.983
495 2HG GLU 77 1HG GLU 77 72.828 -1.667 -4.855
496 H ALA 78 H ALA 78 73.099 0.456 -4.073
497 HA ALA 78 HA ALA 78 72.712 2.565 -4.782
498 1HB ALA 78 1HB ALA 78 75.057 3.214 -3.015
499 2HB ALA 78 2HB ALA 78 73.383 3.042 -2.492
500 3HB ALA 78 3HB ALA 78 73.835 4.345 -3.587
501 H GLY 79 H GLY 79 73.200 2.233 -6.958
502 1HA GLY 79 2HA GLY 79 74.969 4.061 -8.083
503 2HA GLY 79 1HA GLY 79 75.818 2.525 -8.009
504 H CYS 80 H CYS 80 73.117 1.136 -8.389
505 HA CYS 80 HA CYS 80 73.361 1.002 -11.239
506 1HB CYS 80 2HB CYS 80 72.819 -0.974 -9.812
507 2HB CYS 80 1HB CYS 80 71.238 -0.263 -9.495
508 H SER 81 H SER 81 70.940 2.395 -9.010
509 HA SER 81 HA SER 81 69.181 2.970 -11.243
510 1HB SER 81 2HB SER 81 68.265 2.242 -9.065
511 2HB SER 81 1HB SER 81 68.884 3.721 -8.330
512 HG SER 81 HG SER 81 67.480 4.912 -9.601
513 H HIS 82 HN HIS 82 69.259 4.725 -12.419
514 HA HIS 82 HA HIS 82 69.979 7.283 -11.202
515 1HB HIS 82 2HB HIS 82 71.234 6.045 -13.638
516 2HB HIS 82 1HB HIS 82 71.111 7.793 -13.502
517 HD1 HIS 82 HD1 HIS 82 72.602 4.877 -11.536
518 HD2 HIS 82 HD2 HIS 82 73.142 8.949 -12.161
519 HE1 HIS 82 HE1 HIS 82 74.748 5.496 -10.357
Start of MODEL 8
1 1H SER 1 1HT SER 1 30.433 -7.579 0.274
2 2H SER 1 2HT SER 1 31.425 -8.893 -0.146
3 3H SER 1 3HT SER 1 30.041 -8.547 -1.057
4 HA SER 1 HA SER 1 32.082 -7.853 -2.168
5 1HB SER 1 2HB SER 1 30.299 -5.551 -1.331
6 2HB SER 1 1HB SER 1 31.234 -5.678 -2.825
7 HG SER 1 HG SER 1 29.069 -6.245 -3.187
8 H ALA 2 H ALA 2 33.875 -6.446 -2.236
9 HA ALA 2 HA ALA 2 34.734 -5.451 0.393
10 1HB ALA 2 1HB ALA 2 36.216 -7.123 -0.604
11 2HB ALA 2 2HB ALA 2 37.015 -5.553 -0.494
12 3HB ALA 2 3HB ALA 2 36.390 -6.117 -2.044
13 H ARG 3 H ARG 3 36.569 -3.578 -0.208
14 HA ARG 3 HA ARG 3 35.443 -1.748 -2.165
15 1HB ARG 3 2HB ARG 3 34.826 -0.041 -0.717
16 2HB ARG 3 1HB ARG 3 34.316 -1.465 0.179
17 1HG ARG 3 2HG ARG 3 36.366 -1.362 1.510
18 2HG ARG 3 1HG ARG 3 36.869 0.072 0.611
19 1HD ARG 3 2HD ARG 3 34.543 0.996 1.379
20 2HD ARG 3 1HD ARG 3 34.689 -0.246 2.627
21 HE ARG 3 HE ARG 3 36.716 1.860 2.202
22 1HH1 ARG 3 1HH1 ARG 3 34.853 -0.214 4.322
23 2HH1 ARG 3 2HH1 ARG 3 35.437 0.541 5.772
24 1HH2 ARG 3 1HH2 ARG 3 37.494 2.858 4.097
25 2HH2 ARG 3 2HH2 ARG 3 36.928 2.312 5.642
26 H THR 4 H THR 4 36.838 -0.048 -2.709
27 HA THR 4 HA THR 4 38.785 1.002 -3.138
28 HB THR 4 HB THR 4 40.129 1.666 -1.100
29 HG1 THR 4 HG1 THR 4 39.331 -0.277 0.112
30 1HG2 THR 4 1HG2 THR 4 38.348 3.130 -0.232
31 2HG2 THR 4 2HG2 THR 4 37.150 2.160 -1.090
32 3HG2 THR 4 3HG2 THR 4 38.357 3.073 -1.995
33 H CYS 5 H CYS 5 39.870 -0.411 -4.454
34 HA CYS 5 HA CYS 5 41.840 -1.283 -5.163
35 1HB CYS 5 2HB CYS 5 42.528 -0.161 -2.637
36 2HB CYS 5 1HB CYS 5 43.329 -1.721 -2.771
37 HA PRO 6 HA PRO 6 41.301 -5.663 -4.487
38 1HB PRO 6 2HB PRO 6 43.826 -6.025 -5.920
39 2HB PRO 6 1HB PRO 6 42.196 -6.497 -6.405
40 1HG PRO 6 2HG PRO 6 43.553 -4.503 -7.626
41 2HG PRO 6 1HG PRO 6 41.788 -4.494 -7.459
42 1HD PRO 6 2HD PRO 6 43.853 -3.033 -5.856
43 2HD PRO 6 1HD PRO 6 42.282 -2.461 -6.457
44 HA PRO 7 HA PRO 7 43.826 -6.870 -1.069
45 1HB PRO 7 2HB PRO 7 44.252 -9.511 -2.350
46 2HB PRO 7 1HB PRO 7 43.541 -9.119 -0.780
47 1HG PRO 7 2HG PRO 7 42.002 -9.906 -2.804
48 2HG PRO 7 1HG PRO 7 41.463 -8.633 -1.692
49 1HD PRO 7 2HD PRO 7 42.571 -8.384 -4.465
50 2HD PRO 7 1HD PRO 7 41.229 -7.503 -3.705
51 H ASN 8 H ASN 8 45.150 -7.347 -4.271
52 HA ASN 8 HA ASN 8 47.859 -7.743 -3.258
53 1HB ASN 8 2HB ASN 8 46.741 -8.744 -5.452
54 2HB ASN 8 1HB ASN 8 47.274 -7.215 -6.144
55 1HD2 ASN 8 1HD2 ASN 8 49.512 -6.759 -6.218
56 2HD2 ASN 8 2HD2 ASN 8 50.676 -8.034 -6.155
57 H GLN 9 H GLN 9 46.068 -5.266 -3.100
58 HA GLN 9 HA GLN 9 48.028 -3.290 -3.946
59 1HB GLN 9 2HB GLN 9 45.415 -3.710 -5.101
60 2HB GLN 9 1HB GLN 9 45.465 -2.149 -4.303
61 1HG GLN 9 2HG GLN 9 46.051 -1.774 -6.535
62 2HG GLN 9 1HG GLN 9 47.538 -1.653 -5.601
63 1HE2 GLN 9 1HE2 GLN 9 45.993 -4.679 -6.457
64 2HE2 GLN 9 2HE2 GLN 9 47.218 -5.223 -7.538
65 H PHE 10 H PHE 10 47.156 -1.082 -3.039
66 HA PHE 10 HA PHE 10 45.778 -1.441 -0.491
67 1HB PHE 10 2HB PHE 10 48.077 -1.516 0.185
68 2HB PHE 10 1HB PHE 10 48.489 -0.153 -0.852
69 HD1 PHE 10 HD1 PHE 10 46.412 -1.067 2.083
70 HD2 PHE 10 HD2 PHE 10 48.491 1.999 -0.017
71 HE1 PHE 10 HE1 PHE 10 45.959 0.493 3.933
72 HE2 PHE 10 HE2 PHE 10 48.043 3.564 1.830
73 HZ PHE 10 HZ PHE 10 46.776 2.819 3.805
74 H SER 11 H SER 11 44.586 0.357 0.083
75 HA SER 11 HA SER 11 44.311 2.333 -2.012
76 1HB SER 11 2HB SER 11 42.002 2.646 -1.091
77 2HB SER 11 1HB SER 11 42.310 1.025 -1.717
78 HG SER 11 HG SER 11 42.759 1.611 1.000
79 H CYS 12 H CYS 12 45.360 4.163 -1.515
80 HA CYS 12 HA CYS 12 45.788 5.238 1.010
81 1HB CYS 12 2HB CYS 12 46.957 6.349 -0.681
82 2HB CYS 12 1HB CYS 12 45.546 6.451 -1.726
83 H ALA 13 H ALA 13 44.662 7.054 2.034
84 HA ALA 13 HA ALA 13 42.576 6.250 3.331
85 1HB ALA 13 1HB ALA 13 42.780 9.095 2.391
86 2HB ALA 13 2HB ALA 13 43.658 8.382 3.748
87 3HB ALA 13 3HB ALA 13 41.900 8.531 3.812
88 H SER 14 H SER 14 41.308 4.912 1.961
89 HA SER 14 HA SER 14 39.415 4.314 0.865
90 1HB SER 14 2HB SER 14 38.342 6.701 2.381
91 2HB SER 14 1HB SER 14 37.396 5.345 1.769
92 HG SER 14 HG SER 14 39.345 5.345 3.817
93 H GLY 15 H GLY 15 41.021 5.949 -0.812
94 1HA GLY 15 2HA GLY 15 38.928 6.888 -2.606
95 2HA GLY 15 1HA GLY 15 40.069 8.106 -2.061
96 H ARG 16 H ARG 16 42.435 6.717 -2.083
97 HA ARG 16 HA ARG 16 42.829 6.521 -4.965
98 1HB ARG 16 2HB ARG 16 44.816 6.737 -2.696
99 2HB ARG 16 1HB ARG 16 45.267 6.587 -4.387
100 1HG ARG 16 2HG ARG 16 45.435 8.868 -3.926
101 2HG ARG 16 1HG ARG 16 43.898 8.703 -4.774
102 1HD ARG 16 2HD ARG 16 42.733 8.706 -2.594
103 2HD ARG 16 1HD ARG 16 44.279 8.954 -1.784
104 HE ARG 16 HE ARG 16 43.166 10.886 -3.711
105 1HH1 ARG 16 1HH1 ARG 16 44.724 10.139 -0.666
106 2HH1 ARG 16 2HH1 ARG 16 44.842 11.797 -0.174
107 1HH2 ARG 16 1HH2 ARG 16 43.329 13.076 -3.078
108 2HH2 ARG 16 2HH2 ARG 16 44.039 13.476 -1.550
109 H CYS 17 H CYS 17 44.604 4.864 -5.605
110 HA CYS 17 HA CYS 17 44.325 2.347 -4.170
111 1HB CYS 17 2HB CYS 17 42.429 2.626 -5.865
112 2HB CYS 17 1HB CYS 17 43.659 2.512 -7.114
113 H ILE 18 H ILE 18 46.372 1.825 -3.878
114 HA ILE 18 HA ILE 18 48.325 2.314 -6.034
115 HB ILE 18 HB ILE 18 49.980 2.921 -4.375
116 1HG1 ILE 18 2HG1 ILE 18 48.899 3.244 -1.941
117 2HG1 ILE 18 1HG1 ILE 18 47.957 1.859 -2.472
118 1HG2 ILE 18 1HG2 ILE 18 48.404 4.684 -5.092
119 2HG2 ILE 18 2HG2 ILE 18 49.036 4.950 -3.465
120 3HG2 ILE 18 3HG2 ILE 18 47.404 4.317 -3.681
121 1HD1 ILE 18 1HD1 ILE 18 49.820 1.072 -1.230
122 2HD1 ILE 18 2HD1 ILE 18 50.934 2.039 -2.192
123 3HD1 ILE 18 3HD1 ILE 18 50.094 0.674 -2.927
124 HA PRO 19 HA PRO 19 49.266 -2.004 -5.414
125 1HB PRO 19 2HB PRO 19 51.818 -2.157 -6.291
126 2HB PRO 19 1HB PRO 19 50.448 -1.915 -7.383
127 1HG PRO 19 2HG PRO 19 52.436 0.060 -6.361
128 2HG PRO 19 1HG PRO 19 51.673 -0.046 -7.956
129 1HD PRO 19 2HD PRO 19 50.901 1.700 -5.952
130 2HD PRO 19 1HD PRO 19 49.868 1.179 -7.295
131 H ILE 20 H ILE 20 50.102 -3.362 -3.902
132 HA ILE 20 HA ILE 20 51.057 -2.418 -1.465
133 HB ILE 20 HB ILE 20 51.080 -5.113 -2.754
134 1HG1 ILE 20 2HG1 ILE 20 48.929 -4.209 -2.049
135 2HG1 ILE 20 1HG1 ILE 20 49.363 -5.607 -1.071
136 1HG2 ILE 20 1HG2 ILE 20 51.713 -6.146 -0.630
137 2HG2 ILE 20 2HG2 ILE 20 52.032 -4.544 0.033
138 3HG2 ILE 20 3HG2 ILE 20 53.010 -5.155 -1.301
139 1HD1 ILE 20 1HD1 ILE 20 49.642 -2.725 -0.254
140 2HD1 ILE 20 2HD1 ILE 20 50.089 -4.120 0.729
141 3HD1 ILE 20 3HD1 ILE 20 48.400 -3.850 0.295
142 H SER 21 H SER 21 53.123 -2.795 -0.420
143 HA SER 21 HA SER 21 55.423 -2.906 -0.261
144 1HB SER 21 2HB SER 21 55.640 -4.132 -2.423
145 2HB SER 21 1HB SER 21 55.550 -2.597 -3.280
146 HG SER 21 HG SER 21 57.521 -3.254 -1.343
147 H TRP 22 H TRP 22 53.388 -0.641 -1.550
148 HA TRP 22 HA TRP 22 55.402 1.505 -1.598
149 1HB TRP 22 2HB TRP 22 52.528 1.409 -2.494
150 2HB TRP 22 1HB TRP 22 53.493 2.877 -2.515
151 HD1 TRP 22 HD1 TRP 22 54.508 -0.668 -3.726
152 HE1 TRP 22 HE1 TRP 22 55.210 -0.491 -6.194
153 HE3 TRP 22 HE3 TRP 22 53.445 4.261 -4.508
154 HZ2 TRP 22 HZ2 TRP 22 55.299 1.479 -8.211
155 HZ3 TRP 22 HZ3 TRP 22 53.866 5.215 -6.740
156 HH2 TRP 22 HH2 TRP 22 54.771 3.855 -8.550
157 H THR 23 H THR 23 53.384 0.141 0.631
158 HA THR 23 HA THR 23 52.458 2.508 1.902
159 HB THR 23 HB THR 23 51.686 1.040 3.684
160 HG1 THR 23 HG1 THR 23 53.257 -0.461 3.944
161 1HG2 THR 23 1HG2 THR 23 51.282 -0.258 0.986
162 2HG2 THR 23 2HG2 THR 23 50.366 1.121 1.602
163 3HG2 THR 23 3HG2 THR 23 50.249 -0.448 2.401
164 H CYS 24 H CYS 24 55.035 0.217 2.587
165 HA CYS 24 HA CYS 24 55.782 1.720 4.938
166 1HB CYS 24 2HB CYS 24 55.381 -0.732 5.054
167 2HB CYS 24 1HB CYS 24 56.797 -0.965 4.036
168 H ASP 25 H ASP 25 56.546 2.643 2.145
169 HA ASP 25 HA ASP 25 59.465 2.469 2.503
170 1HB ASP 25 2HB ASP 25 59.646 3.000 0.056
171 2HB ASP 25 1HB ASP 25 58.943 1.435 0.431
172 H LEU 26 H LEU 26 57.231 4.439 3.391
173 HA LEU 26 HA LEU 26 57.420 6.470 4.327
174 1HB LEU 26 2HB LEU 26 60.107 6.540 2.974
175 2HB LEU 26 1HB LEU 26 59.457 7.921 3.831
176 HG LEU 26 HG LEU 26 59.234 6.119 5.800
177 1HD1 LEU 26 1HD1 LEU 26 61.559 5.135 4.159
178 2HD1 LEU 26 2HD1 LEU 26 60.061 4.259 4.472
179 3HD1 LEU 26 3HD1 LEU 26 61.160 4.630 5.801
180 1HD2 LEU 26 1HD2 LEU 26 61.376 6.929 6.637
181 2HD2 LEU 26 2HD2 LEU 26 60.445 8.236 5.904
182 3HD2 LEU 26 3HD2 LEU 26 61.794 7.513 5.027
183 H ASP 27 H ASP 27 55.652 7.201 3.346
184 HA ASP 27 HA ASP 27 54.610 9.051 2.534
185 1HB ASP 27 2HB ASP 27 56.986 10.050 2.745
186 2HB ASP 27 1HB ASP 27 57.043 9.881 0.994
187 H ASP 28 H ASP 28 54.686 10.281 0.062
188 HA ASP 28 HA ASP 28 53.748 10.154 -1.978
189 1HB ASP 28 2HB ASP 28 55.763 8.753 -2.522
190 2HB ASP 28 1HB ASP 28 54.780 7.324 -2.203
191 H ASP 29 H ASP 29 53.279 7.029 -0.345
192 HA ASP 29 HA ASP 29 50.580 6.717 -1.256
193 1HB ASP 29 2HB ASP 29 52.279 4.941 -0.413
194 2HB ASP 29 1HB ASP 29 51.750 5.418 1.195
195 H CYS 30 H CYS 30 48.888 6.328 0.747
196 HA CYS 30 HA CYS 30 49.121 8.193 2.873
197 1HB CYS 30 2HB CYS 30 47.263 9.725 2.008
198 2HB CYS 30 1HB CYS 30 48.900 9.953 1.406
199 H GLY 31 H GLY 31 48.275 5.533 2.749
200 1HA GLY 31 2HA GLY 31 45.432 5.378 3.043
201 2HA GLY 31 1HA GLY 31 46.606 4.216 3.655
202 H ASP 32 H ASP 32 48.100 5.574 5.393
203 HA ASP 32 HA ASP 32 46.251 6.395 7.502
204 1HB ASP 32 2HB ASP 32 47.948 4.985 8.326
205 2HB ASP 32 1HB ASP 32 49.192 5.766 7.359
206 H ARG 33 H ARG 33 49.135 7.616 5.920
207 HA ARG 33 HA ARG 33 48.152 10.267 5.593
208 1HB ARG 33 2HB ARG 33 50.022 9.647 7.838
209 2HB ARG 33 1HB ARG 33 50.350 11.089 6.886
210 1HG ARG 33 2HG ARG 33 48.450 12.153 7.591
211 2HG ARG 33 1HG ARG 33 47.602 10.644 7.933
212 1HD ARG 33 2HD ARG 33 49.969 11.618 9.514
213 2HD ARG 33 1HD ARG 33 48.296 11.967 9.952
214 HE ARG 33 HE ARG 33 48.947 9.153 9.565
215 1HH1 ARG 33 1HH1 ARG 33 48.698 11.786 11.857
216 2HH1 ARG 33 2HH1 ARG 33 48.391 10.757 13.211
217 1HH2 ARG 33 1HH2 ARG 33 48.495 7.786 11.329
218 2HH2 ARG 33 2HH2 ARG 33 48.280 8.477 12.915
219 H SER 34 H SER 34 51.306 8.743 6.126
220 HA SER 34 HA SER 34 51.677 8.697 3.219
221 1HB SER 34 2HB SER 34 53.854 9.035 5.298
222 2HB SER 34 1HB SER 34 54.079 9.007 3.550
223 HG SER 34 HG SER 34 53.848 11.101 3.718
224 H ASP 35 H ASP 35 51.027 7.015 5.870
225 HA ASP 35 HA ASP 35 50.689 4.815 6.247
226 1HB ASP 35 2HB ASP 35 52.051 4.463 3.597
227 2HB ASP 35 1HB ASP 35 51.456 3.113 4.569
228 H GLU 36 H GLU 36 52.852 6.103 7.449
229 HA GLU 36 HA GLU 36 54.776 3.903 7.712
230 1HB GLU 36 2HB GLU 36 54.800 6.688 8.897
231 2HB GLU 36 1HB GLU 36 56.036 5.474 9.194
232 1HG GLU 36 2HG GLU 36 56.814 7.016 7.538
233 2HG GLU 36 1HG GLU 36 56.542 5.447 6.790
234 H SER 37 H SER 37 52.330 5.630 9.393
235 HA SER 37 HA SER 37 52.575 3.839 11.694
236 1HB SER 37 2HB SER 37 50.830 5.537 12.646
237 2HB SER 37 1HB SER 37 52.525 6.016 12.545
238 HG SER 37 HG SER 37 50.491 6.637 10.644
239 H ALA 38 H ALA 38 50.931 2.488 12.245
240 HA ALA 38 HA ALA 38 48.994 1.348 12.221
241 1HB ALA 38 1HB ALA 38 47.836 3.642 10.655
242 2HB ALA 38 2HB ALA 38 47.917 3.547 12.414
243 3HB ALA 38 3HB ALA 38 46.932 2.393 11.514
244 H SER 39 H SER 39 50.432 2.227 9.259
245 HA SER 39 HA SER 39 49.000 0.050 7.915
246 1HB SER 39 2HB SER 39 50.932 2.049 6.708
247 2HB SER 39 1HB SER 39 49.867 0.945 5.838
248 HG SER 39 HG SER 39 48.895 2.957 5.873
249 H CYS 40 H CYS 40 52.325 1.301 8.225
250 HA CYS 40 HA CYS 40 53.287 -1.448 7.956
251 1HB CYS 40 2HB CYS 40 54.449 0.271 6.606
252 2HB CYS 40 1HB CYS 40 54.935 1.087 8.098
253 H ALA 41 H ALA 41 53.504 1.315 10.160
254 HA ALA 41 HA ALA 41 53.689 1.467 12.415
255 1HB ALA 41 1HB ALA 41 53.492 -0.460 13.870
256 2HB ALA 41 2HB ALA 41 53.701 -1.548 12.497
257 3HB ALA 41 3HB ALA 41 52.266 -0.528 12.605
258 H TYR 42 H TYR 42 55.855 -0.036 10.395
259 HA TYR 42 HA TYR 42 58.083 -0.362 10.334
260 1HB TYR 42 2HB TYR 42 57.858 2.076 12.078
261 2HB TYR 42 1HB TYR 42 59.429 1.412 11.640
262 HD1 TYR 42 HD1 TYR 42 59.524 3.905 10.665
263 HD2 TYR 42 HD2 TYR 42 57.159 0.750 9.073
264 HE1 TYR 42 HE1 TYR 42 59.417 5.075 8.510
265 HE2 TYR 42 HE2 TYR 42 57.035 1.925 6.923
266 HH TYR 42 HH TYR 42 59.023 4.531 6.144
267 HA PRO 43 HA PRO 43 58.696 -2.660 14.314
268 1HB PRO 43 2HB PRO 43 58.040 -5.127 12.964
269 2HB PRO 43 1HB PRO 43 57.250 -4.411 14.370
270 1HG PRO 43 2HG PRO 43 56.079 -4.667 11.898
271 2HG PRO 43 1HG PRO 43 55.603 -3.464 13.106
272 1HD PRO 43 2HD PRO 43 57.331 -3.142 10.687
273 2HD PRO 43 1HD PRO 43 56.124 -2.028 11.368
274 H THR 44 H THR 44 59.101 -3.646 10.962
275 HA THR 44 HA THR 44 61.989 -3.631 11.266
276 HB THR 44 HB THR 44 61.374 -5.985 11.691
277 HG1 THR 44 HG1 THR 44 62.690 -5.369 9.250
278 1HG2 THR 44 1HG2 THR 44 59.276 -6.078 10.449
279 2HG2 THR 44 2HG2 THR 44 60.374 -7.344 9.905
280 3HG2 THR 44 3HG2 THR 44 60.153 -5.893 8.927
281 H CYS 45 H CYS 45 59.545 -2.342 9.888
282 HA CYS 45 HA CYS 45 58.976 -1.337 7.963
283 1HB CYS 45 2HB CYS 45 61.924 -1.671 7.478
284 2HB CYS 45 1HB CYS 45 60.861 -0.801 6.376
285 H PHE 46 H PHE 46 59.051 -4.402 8.075
286 HA PHE 46 HA PHE 46 58.371 -4.604 5.247
287 1HB PHE 46 2HB PHE 46 60.441 -5.712 5.202
288 2HB PHE 46 1HB PHE 46 60.156 -6.507 6.741
289 HD1 PHE 46 HD1 PHE 46 57.550 -6.481 4.118
290 HD2 PHE 46 HD2 PHE 46 60.781 -8.637 5.875
291 HE1 PHE 46 HE1 PHE 46 56.828 -8.516 2.949
292 HE2 PHE 46 HE2 PHE 46 60.058 -10.673 4.707
293 HZ PHE 46 HZ PHE 46 58.078 -10.618 3.248
294 HA PRO 47 HA PRO 47 54.902 -6.659 7.158
295 1HB PRO 47 2HB PRO 47 52.969 -5.029 6.270
296 2HB PRO 47 1HB PRO 47 53.864 -4.681 7.752
297 1HG PRO 47 2HG PRO 47 54.055 -3.397 5.091
298 2HG PRO 47 1HG PRO 47 54.419 -2.731 6.691
299 1HD PRO 47 2HD PRO 47 56.255 -3.768 4.767
300 2HD PRO 47 1HD PRO 47 56.615 -3.187 6.404
301 H LEU 48 H LEU 48 55.536 -5.224 4.053
302 HA LEU 48 HA LEU 48 54.476 -7.502 2.614
303 1HB LEU 48 2HB LEU 48 53.295 -4.735 2.326
304 2HB LEU 48 1HB LEU 48 53.009 -6.053 1.204
305 HG LEU 48 HG LEU 48 52.378 -6.340 4.120
306 1HD1 LEU 48 1HD1 LEU 48 50.070 -5.699 3.620
307 2HD1 LEU 48 2HD1 LEU 48 50.534 -5.296 1.968
308 3HD1 LEU 48 3HD1 LEU 48 51.177 -4.359 3.317
309 1HD2 LEU 48 1HD2 LEU 48 51.320 -7.692 1.638
310 2HD2 LEU 48 2HD2 LEU 48 50.823 -8.042 3.294
311 3HD2 LEU 48 3HD2 LEU 48 52.478 -8.374 2.778
312 H THR 49 H THR 49 56.618 -7.703 1.865
313 HA THR 49 HA THR 49 58.258 -7.537 0.343
314 HB THR 49 HB THR 49 57.607 -6.488 -1.900
315 HG1 THR 49 HG1 THR 49 55.740 -5.376 -0.673
316 1HG2 THR 49 1HG2 THR 49 56.228 -8.417 -2.498
317 2HG2 THR 49 2HG2 THR 49 55.954 -8.751 -0.789
318 3HG2 THR 49 3HG2 THR 49 57.577 -8.893 -1.466
319 H GLN 50 H GLN 50 59.690 -6.299 1.440
320 HA GLN 50 HA GLN 50 59.934 -3.501 0.644
321 1HB GLN 50 2HB GLN 50 59.986 -4.412 3.529
322 2HB GLN 50 1HB GLN 50 60.245 -2.775 2.952
323 1HG GLN 50 2HG GLN 50 57.665 -4.225 2.484
324 2HG GLN 50 1HG GLN 50 57.991 -3.343 3.974
325 1HE2 GLN 50 1HE2 GLN 50 59.576 -1.302 2.561
326 2HE2 GLN 50 2HE2 GLN 50 58.420 -0.299 1.763
327 H PHE 51 H PHE 51 62.041 -2.596 1.372
328 HA PHE 51 HA PHE 51 63.981 -4.564 2.340
329 1HB PHE 51 2HB PHE 51 64.288 -4.347 -0.149
330 2HB PHE 51 1HB PHE 51 64.630 -2.635 0.092
331 HD1 PHE 51 HD1 PHE 51 66.851 -1.988 0.298
332 HD2 PHE 51 HD2 PHE 51 65.746 -5.967 1.326
333 HE1 PHE 51 HE1 PHE 51 69.201 -2.516 0.739
334 HE2 PHE 51 HE2 PHE 51 68.106 -6.503 1.770
335 HZ PHE 51 HZ PHE 51 69.836 -4.777 1.476
336 H THR 52 H THR 52 65.760 -3.566 3.486
337 HA THR 52 HA THR 52 65.106 -0.868 4.428
338 HB THR 52 HB THR 52 66.871 -2.911 5.790
339 HG1 THR 52 HG1 THR 52 64.397 -2.366 6.885
340 1HG2 THR 52 1HG2 THR 52 65.550 -0.391 6.797
341 2HG2 THR 52 2HG2 THR 52 67.266 -0.585 6.444
342 3HG2 THR 52 3HG2 THR 52 66.527 -1.497 7.761
343 H CYS 53 H CYS 53 66.265 0.619 3.408
344 HA CYS 53 HA CYS 53 68.603 0.251 1.957
345 1HB CYS 53 2HB CYS 53 67.243 2.230 1.707
346 2HB CYS 53 1HB CYS 53 67.608 2.720 3.358
347 H ASN 54 H ASN 54 70.779 0.814 2.358
348 HA ASN 54 HA ASN 54 71.695 -0.247 4.833
349 1HB ASN 54 2HB ASN 54 73.156 1.001 2.499
350 2HB ASN 54 1HB ASN 54 73.967 0.259 3.882
351 1HD2 ASN 54 1HD2 ASN 54 72.095 -0.274 1.025
352 2HD2 ASN 54 2HD2 ASN 54 72.330 -1.981 0.936
353 H ASN 55 H ASN 55 70.967 2.935 3.787
354 HA ASN 55 HA ASN 55 72.689 4.197 5.707
355 1HB ASN 55 2HB ASN 55 72.152 6.225 4.756
356 2HB ASN 55 1HB ASN 55 72.005 5.127 3.390
357 1HD2 ASN 55 1HD2 ASN 55 70.807 7.723 3.904
358 2HD2 ASN 55 2HD2 ASN 55 69.107 7.481 3.807
359 H GLY 56 H GLY 56 69.568 2.876 5.685
360 1HA GLY 56 2HA GLY 56 68.665 2.697 8.017
361 2HA GLY 56 1HA GLY 56 68.863 4.438 8.089
362 H ARG 57 H ARG 57 67.895 4.211 5.034
363 HA ARG 57 HA ARG 57 65.184 4.886 5.593
364 1HB ARG 57 2HB ARG 57 66.420 4.038 2.974
365 2HB ARG 57 1HB ARG 57 64.842 4.769 3.160
366 1HG ARG 57 2HG ARG 57 65.720 6.855 3.624
367 2HG ARG 57 1HG ARG 57 67.311 6.195 4.048
368 1HD ARG 57 2HD ARG 57 67.584 5.435 1.723
369 2HD ARG 57 1HD ARG 57 66.047 6.189 1.310
370 HE ARG 57 HE ARG 57 68.581 7.550 1.893
371 1HH1 ARG 57 1HH1 ARG 57 65.188 7.771 1.022
372 2HH1 ARG 57 2HH1 ARG 57 65.331 9.372 0.384
373 1HH2 ARG 57 1HH2 ARG 57 68.788 9.607 1.036
374 2HH2 ARG 57 2HH2 ARG 57 67.401 10.421 0.364
375 H CYS 58 H CYS 58 63.289 3.724 5.070
376 HA CYS 58 HA CYS 58 63.652 0.844 4.605
377 1HB CYS 58 2HB CYS 58 61.167 2.305 5.544
378 2HB CYS 58 1HB CYS 58 61.410 0.563 5.476
379 H ILE 59 H ILE 59 63.299 0.207 2.526
380 HA ILE 59 HA ILE 59 62.054 2.252 0.840
381 HB ILE 59 HB ILE 59 63.574 1.695 -0.969
382 1HG1 ILE 59 2HG1 ILE 59 64.985 -0.064 1.045
383 2HG1 ILE 59 1HG1 ILE 59 64.015 -0.652 -0.303
384 1HG2 ILE 59 1HG2 ILE 59 65.599 2.688 -0.008
385 2HG2 ILE 59 2HG2 ILE 59 64.966 2.394 1.612
386 3HG2 ILE 59 3HG2 ILE 59 64.138 3.517 0.534
387 1HD1 ILE 59 1HD1 ILE 59 65.552 0.459 -1.860
388 2HD1 ILE 59 2HD1 ILE 59 66.345 -0.760 -0.866
389 3HD1 ILE 59 3HD1 ILE 59 66.551 0.952 -0.491
390 H ASN 60 H ASN 60 61.577 1.414 -1.397
391 HA ASN 60 HA ASN 60 59.544 -0.583 -1.174
392 1HB ASN 60 2HB ASN 60 59.522 1.550 -2.591
393 2HB ASN 60 1HB ASN 60 60.596 0.701 -3.699
394 1HD2 ASN 60 1HD2 ASN 60 57.403 1.141 -2.594
395 2HD2 ASN 60 2HD2 ASN 60 56.641 0.023 -3.686
396 H ILE 61 H ILE 61 59.507 -2.651 -2.124
397 HA ILE 61 HA ILE 61 62.059 -3.917 -2.326
398 HB ILE 61 HB ILE 61 59.642 -4.780 -1.568
399 1HG1 ILE 61 2HG1 ILE 61 61.869 -5.899 -1.235
400 2HG1 ILE 61 1HG1 ILE 61 60.522 -7.004 -1.460
401 1HG2 ILE 61 1HG2 ILE 61 58.584 -4.752 -3.693
402 2HG2 ILE 61 2HG2 ILE 61 58.817 -6.437 -3.229
403 3HG2 ILE 61 3HG2 ILE 61 59.885 -5.696 -4.417
404 1HD1 ILE 61 1HD1 ILE 61 61.204 -7.368 -3.767
405 2HD1 ILE 61 2HD1 ILE 61 62.503 -7.756 -2.638
406 3HD1 ILE 61 3HD1 ILE 61 62.547 -6.247 -3.550
407 H ASN 62 H ASN 62 60.154 -2.281 -4.600
408 HA ASN 62 HA ASN 62 60.938 -3.904 -6.875
409 1HB ASN 62 2HB ASN 62 59.280 -1.409 -6.581
410 2HB ASN 62 1HB ASN 62 59.785 -1.991 -8.163
411 1HD2 ASN 62 1HD2 ASN 62 57.673 -2.370 -8.791
412 2HD2 ASN 62 2HD2 ASN 62 56.748 -3.694 -8.181
413 H TRP 63 H TRP 63 62.941 -2.386 -5.211
414 HA TRP 63 HA TRP 63 64.101 -0.713 -7.338
415 1HB TRP 63 2HB TRP 63 64.645 -0.768 -4.366
416 2HB TRP 63 1HB TRP 63 65.561 0.199 -5.516
417 HD1 TRP 63 HD1 TRP 63 61.966 0.234 -6.436
418 HE1 TRP 63 HE1 TRP 63 60.857 2.427 -5.671
419 HE3 TRP 63 HE3 TRP 63 65.642 1.965 -3.364
420 HZ2 TRP 63 HZ2 TRP 63 61.459 4.602 -3.987
421 HZ3 TRP 63 HZ3 TRP 63 65.304 4.107 -2.204
422 HH2 TRP 63 HH2 TRP 63 63.258 5.399 -2.508
423 H ARG 64 H ARG 64 64.196 -3.722 -6.118
424 HA ARG 64 HA ARG 64 66.945 -4.377 -6.074
425 1HB ARG 64 2HB ARG 64 64.878 -5.717 -5.249
426 2HB ARG 64 1HB ARG 64 64.768 -6.287 -6.905
427 1HG ARG 64 2HG ARG 64 66.003 -7.975 -5.997
428 2HG ARG 64 1HG ARG 64 67.307 -6.897 -6.497
429 1HD ARG 64 2HD ARG 64 67.600 -7.775 -4.192
430 2HD ARG 64 1HD ARG 64 67.516 -6.013 -4.254
431 HE ARG 64 HE ARG 64 64.954 -6.721 -3.776
432 1HH1 ARG 64 1HH1 ARG 64 67.978 -7.591 -2.233
433 2HH1 ARG 64 2HH1 ARG 64 67.271 -7.739 -0.661
434 1HH2 ARG 64 1HH2 ARG 64 64.030 -6.919 -1.702
435 2HH2 ARG 64 2HH2 ARG 64 65.019 -7.375 -0.357
436 H CYS 65 H CYS 65 67.927 -3.426 -7.869
437 HA CYS 65 HA CYS 65 66.895 -3.795 -10.517
438 1HB CYS 65 2HB CYS 65 69.249 -2.401 -9.340
439 2HB CYS 65 1HB CYS 65 69.293 -2.800 -11.050
440 H ASP 66 H ASP 66 70.173 -4.373 -9.490
441 HA ASP 66 HA ASP 66 70.354 -6.495 -11.488
442 1HB ASP 66 2HB ASP 66 72.843 -6.099 -11.173
443 2HB ASP 66 1HB ASP 66 71.925 -4.749 -11.837
444 H ASN 67 H ASN 67 71.667 -5.877 -8.210
445 HA ASN 67 HA ASN 67 71.599 -8.760 -7.832
446 1HB ASN 67 2HB ASN 67 73.689 -8.803 -6.824
447 2HB ASN 67 1HB ASN 67 73.912 -7.612 -8.099
448 1HD2 ASN 67 1HD2 ASN 67 73.845 -5.361 -7.518
449 2HD2 ASN 67 2HD2 ASN 67 74.225 -4.880 -5.894
450 H ASP 68 H ASP 68 71.386 -5.605 -6.177
451 HA ASP 68 HA ASP 68 69.478 -6.924 -4.399
452 1HB ASP 68 2HB ASP 68 71.758 -6.619 -3.280
453 2HB ASP 68 1HB ASP 68 71.407 -4.892 -3.295
454 H ASN 69 H ASN 69 69.227 -4.263 -2.881
455 HA ASN 69 HA ASN 69 66.984 -3.683 -4.711
456 1HB ASN 69 2HB ASN 69 66.767 -4.867 -2.401
457 2HB ASN 69 1HB ASN 69 66.904 -3.237 -1.754
458 1HD2 ASN 69 1HD2 ASN 69 65.273 -1.725 -2.253
459 2HD2 ASN 69 2HD2 ASN 69 63.690 -2.238 -2.732
460 H ASP 70 H ASP 70 69.575 -2.066 -4.490
461 HA ASP 70 HA ASP 70 70.072 0.150 -4.836
462 1HB ASP 70 2HB ASP 70 67.827 -0.355 -6.198
463 2HB ASP 70 1HB ASP 70 67.191 0.851 -5.087
464 H CYS 71 H CYS 71 68.638 2.501 -4.327
465 HA CYS 71 HA CYS 71 67.171 2.842 -2.054
466 1HB CYS 71 2HB CYS 71 68.912 1.912 -0.675
467 2HB CYS 71 1HB CYS 71 70.109 2.994 -1.378
468 H GLY 72 H GLY 72 70.256 4.411 -2.948
469 1HA GLY 72 2HA GLY 72 69.821 6.431 -4.495
470 2HA GLY 72 1HA GLY 72 68.792 6.958 -3.172
471 H ASP 73 H ASP 73 70.508 5.981 -1.090
472 HA ASP 73 HA ASP 73 73.069 7.161 -1.448
473 1HB ASP 73 2HB ASP 73 72.984 8.921 0.065
474 2HB ASP 73 1HB ASP 73 71.424 9.060 -0.723
475 H ASN 74 H ASN 74 74.109 5.540 -0.912
476 HA ASN 74 HA ASN 74 75.157 3.935 0.349
477 1HB ASN 74 2HB ASN 74 73.201 4.672 2.550
478 2HB ASN 74 1HB ASN 74 74.563 3.573 2.727
479 1HD2 ASN 74 1HD2 ASN 74 73.528 6.859 2.547
480 2HD2 ASN 74 2HD2 ASN 74 75.057 7.574 2.925
481 H SER 75 H SER 75 73.768 3.120 -1.510
482 HA SER 75 HA SER 75 71.371 1.678 -0.756
483 1HB SER 75 2HB SER 75 72.570 1.790 -3.487
484 2HB SER 75 1HB SER 75 70.876 1.682 -3.013
485 HG SER 75 HG SER 75 72.047 3.840 -3.719
486 H ASP 76 H ASP 76 71.185 -0.339 -2.419
487 HA ASP 76 HA ASP 76 72.726 -2.519 -1.867
488 1HB ASP 76 2HB ASP 76 70.872 -2.884 -3.235
489 2HB ASP 76 1HB ASP 76 71.316 -1.599 -4.353
490 H GLU 77 H GLU 77 73.156 -0.621 -4.846
491 HA GLU 77 HA GLU 77 76.035 -1.123 -4.720
492 1HB GLU 77 2HB GLU 77 75.652 -0.295 -7.270
493 2HB GLU 77 1HB GLU 77 75.607 -1.975 -6.764
494 1HG GLU 77 2HG GLU 77 73.733 -1.443 -8.221
495 2HG GLU 77 1HG GLU 77 73.176 -1.881 -6.609
496 H ALA 78 H ALA 78 73.754 1.349 -5.736
497 HA ALA 78 HA ALA 78 75.116 3.485 -4.476
498 1HB ALA 78 1HB ALA 78 75.505 3.333 -7.466
499 2HB ALA 78 2HB ALA 78 76.764 3.090 -6.256
500 3HB ALA 78 3HB ALA 78 75.990 4.667 -6.417
501 H GLY 79 H GLY 79 73.200 2.732 -7.405
502 1HA GLY 79 2HA GLY 79 70.811 3.853 -6.708
503 2HA GLY 79 1HA GLY 79 71.763 5.227 -7.253
504 H CYS 80 H CYS 80 70.319 2.188 -8.179
505 HA CYS 80 HA CYS 80 70.819 2.674 -11.012
506 1HB CYS 80 2HB CYS 80 71.105 0.411 -10.527
507 2HB CYS 80 1HB CYS 80 69.771 0.383 -9.379
508 H SER 81 H SER 81 68.183 2.470 -8.689
509 HA SER 81 HA SER 81 66.120 2.906 -10.622
510 1HB SER 81 2HB SER 81 65.753 1.679 -8.496
511 2HB SER 81 1HB SER 81 66.018 3.179 -7.608
512 HG SER 81 HG SER 81 64.194 4.047 -8.656
513 H HIS 82 HN HIS 82 65.371 4.754 -11.408
514 HA HIS 82 HA HIS 82 65.692 7.226 -9.901
515 1HB HIS 82 2HB HIS 82 67.645 7.044 -11.459
516 2HB HIS 82 1HB HIS 82 66.518 6.977 -12.809
517 HD1 HIS 82 HD1 HIS 82 64.896 9.229 -12.937
518 HD2 HIS 82 HD2 HIS 82 68.473 9.527 -10.847
519 HE1 HIS 82 HE1 HIS 82 65.423 11.701 -12.778
Start of MODEL 9
1 1H SER 1 1HT SER 1 38.124 -10.874 3.248
2 2H SER 1 2HT SER 1 36.598 -10.159 3.400
3 3H SER 1 3HT SER 1 37.782 -9.876 4.571
4 HA SER 1 HA SER 1 39.136 -8.694 3.013
5 1HB SER 1 2HB SER 1 36.877 -9.132 1.045
6 2HB SER 1 1HB SER 1 38.425 -8.341 0.733
7 HG SER 1 HG SER 1 38.521 -10.461 -0.006
8 H ALA 2 H ALA 2 38.492 -6.446 2.078
9 HA ALA 2 HA ALA 2 36.028 -5.421 3.261
10 1HB ALA 2 1HB ALA 2 37.745 -5.124 4.992
11 2HB ALA 2 2HB ALA 2 37.192 -3.571 4.360
12 3HB ALA 2 3HB ALA 2 38.747 -4.232 3.847
13 H ARG 3 H ARG 3 36.349 -2.754 2.749
14 HA ARG 3 HA ARG 3 36.431 -2.743 -0.165
15 1HB ARG 3 2HB ARG 3 35.217 -0.725 -0.096
16 2HB ARG 3 1HB ARG 3 34.555 -1.676 1.222
17 1HG ARG 3 2HG ARG 3 35.872 -0.407 2.822
18 2HG ARG 3 1HG ARG 3 36.587 0.526 1.503
19 1HD ARG 3 2HD ARG 3 34.194 1.153 0.882
20 2HD ARG 3 1HD ARG 3 33.735 0.509 2.458
21 HE ARG 3 HE ARG 3 35.855 2.439 2.600
22 1HH1 ARG 3 1HH1 ARG 3 32.388 2.016 2.462
23 2HH1 ARG 3 2HH1 ARG 3 32.035 3.566 3.147
24 1HH2 ARG 3 1HH2 ARG 3 35.410 4.514 3.482
25 2HH2 ARG 3 2HH2 ARG 3 33.760 4.992 3.726
26 H THR 4 H THR 4 38.744 -2.713 1.882
27 HA THR 4 HA THR 4 40.108 -0.229 1.366
28 HB THR 4 HB THR 4 41.416 -2.654 2.564
29 HG1 THR 4 HG1 THR 4 40.378 -1.613 4.599
30 1HG2 THR 4 1HG2 THR 4 42.709 -0.570 2.298
31 2HG2 THR 4 2HG2 THR 4 42.480 -0.984 3.996
32 3HG2 THR 4 3HG2 THR 4 41.508 0.291 3.262
33 H CYS 5 H CYS 5 39.455 -1.718 -0.984
34 HA CYS 5 HA CYS 5 40.293 -2.426 -2.946
35 1HB CYS 5 2HB CYS 5 42.793 -1.336 -1.707
36 2HB CYS 5 1HB CYS 5 42.870 -2.210 -3.239
37 HA PRO 6 HA PRO 6 41.153 -6.688 -2.385
38 1HB PRO 6 2HB PRO 6 42.687 -6.864 -4.860
39 2HB PRO 6 1HB PRO 6 41.087 -7.508 -4.495
40 1HG PRO 6 2HG PRO 6 41.543 -5.436 -6.202
41 2HG PRO 6 1HG PRO 6 40.026 -5.664 -5.316
42 1HD PRO 6 2HD PRO 6 42.272 -3.779 -4.798
43 2HD PRO 6 1HD PRO 6 40.531 -3.564 -4.527
44 HA PRO 7 HA PRO 7 45.191 -7.571 -0.724
45 1HB PRO 7 2HB PRO 7 45.140 -10.038 -2.410
46 2HB PRO 7 1HB PRO 7 45.462 -9.866 -0.680
47 1HG PRO 7 2HG PRO 7 43.116 -10.793 -1.517
48 2HG PRO 7 1HG PRO 7 43.207 -9.675 -0.144
49 1HD PRO 7 2HD PRO 7 42.372 -9.150 -2.963
50 2HD PRO 7 1HD PRO 7 41.738 -8.471 -1.450
51 H ASN 8 H ASN 8 47.263 -7.202 -1.256
52 HA ASN 8 HA ASN 8 49.165 -6.851 -2.451
53 1HB ASN 8 2HB ASN 8 48.480 -8.718 -3.978
54 2HB ASN 8 1HB ASN 8 47.652 -7.532 -4.978
55 1HD2 ASN 8 1HD2 ASN 8 48.835 -6.242 -6.338
56 2HD2 ASN 8 2HD2 ASN 8 50.531 -6.430 -6.586
57 H GLN 9 H GLN 9 46.246 -5.285 -2.721
58 HA GLN 9 HA GLN 9 47.733 -2.871 -3.361
59 1HB GLN 9 2HB GLN 9 45.794 -1.943 -4.647
60 2HB GLN 9 1HB GLN 9 46.682 -3.221 -5.456
61 1HG GLN 9 2HG GLN 9 44.383 -4.137 -3.908
62 2HG GLN 9 1HG GLN 9 43.985 -3.061 -5.245
63 1HE2 GLN 9 1HE2 GLN 9 46.722 -5.195 -5.224
64 2HE2 GLN 9 2HE2 GLN 9 46.153 -6.278 -6.439
65 H PHE 10 H PHE 10 46.218 -0.898 -2.882
66 HA PHE 10 HA PHE 10 44.862 -1.336 -0.325
67 1HB PHE 10 2HB PHE 10 47.132 -0.991 0.351
68 2HB PHE 10 1HB PHE 10 47.348 0.307 -0.811
69 HD1 PHE 10 HD1 PHE 10 47.526 2.387 0.045
70 HD2 PHE 10 HD2 PHE 10 45.084 -0.462 2.068
71 HE1 PHE 10 HE1 PHE 10 47.010 4.055 1.791
72 HE2 PHE 10 HE2 PHE 10 44.575 1.202 3.813
73 HZ PHE 10 HZ PHE 10 45.541 3.461 3.672
74 H SER 11 H SER 11 43.547 0.501 0.295
75 HA SER 11 HA SER 11 42.848 2.132 -2.005
76 1HB SER 11 2HB SER 11 40.617 2.327 -1.059
77 2HB SER 11 1HB SER 11 41.069 0.624 -1.143
78 HG SER 11 HG SER 11 41.660 2.014 1.208
79 H CYS 12 H CYS 12 43.837 4.052 -1.861
80 HA CYS 12 HA CYS 12 44.330 5.493 0.485
81 1HB CYS 12 2HB CYS 12 43.785 6.454 -2.320
82 2HB CYS 12 1HB CYS 12 44.131 7.564 -0.999
83 H ALA 13 H ALA 13 43.135 7.247 1.431
84 HA ALA 13 HA ALA 13 41.004 6.463 2.706
85 1HB ALA 13 1HB ALA 13 42.118 8.603 3.097
86 2HB ALA 13 2HB ALA 13 40.361 8.745 3.158
87 3HB ALA 13 3HB ALA 13 41.243 9.296 1.732
88 H SER 14 H SER 14 39.602 5.197 1.663
89 HA SER 14 HA SER 14 37.724 4.577 0.571
90 1HB SER 14 2HB SER 14 36.831 7.279 1.592
91 2HB SER 14 1HB SER 14 35.764 5.955 1.116
92 HG SER 14 HG SER 14 37.525 6.117 3.321
93 H GLY 15 H GLY 15 38.801 4.724 -1.557
94 1HA GLY 15 2HA GLY 15 37.048 5.335 -3.479
95 2HA GLY 15 1HA GLY 15 37.812 6.896 -3.225
96 H ARG 16 H ARG 16 40.451 5.849 -2.715
97 HA ARG 16 HA ARG 16 41.149 5.479 -5.520
98 1HB ARG 16 2HB ARG 16 42.908 6.152 -3.155
99 2HB ARG 16 1HB ARG 16 43.450 6.055 -4.823
100 1HG ARG 16 2HG ARG 16 43.186 8.342 -4.400
101 2HG ARG 16 1HG ARG 16 41.750 7.887 -5.315
102 1HD ARG 16 2HD ARG 16 40.501 7.688 -3.184
103 2HD ARG 16 1HD ARG 16 41.931 8.254 -2.322
104 HE ARG 16 HE ARG 16 41.486 10.204 -4.151
105 1HH1 ARG 16 1HH1 ARG 16 39.475 8.689 -1.709
106 2HH1 ARG 16 2HH1 ARG 16 38.470 10.079 -1.490
107 1HH2 ARG 16 1HH2 ARG 16 40.158 12.057 -3.842
108 2HH2 ARG 16 2HH2 ARG 16 38.854 11.986 -2.706
109 H CYS 17 H CYS 17 43.196 4.058 -5.861
110 HA CYS 17 HA CYS 17 43.252 1.684 -4.190
111 1HB CYS 17 2HB CYS 17 41.389 1.635 -6.132
112 2HB CYS 17 1HB CYS 17 42.789 1.101 -7.065
113 H ILE 18 H ILE 18 45.361 1.371 -3.972
114 HA ILE 18 HA ILE 18 47.157 1.993 -6.230
115 HB ILE 18 HB ILE 18 48.753 2.945 -4.705
116 1HG1 ILE 18 2HG1 ILE 18 47.705 3.194 -2.220
117 2HG1 ILE 18 1HG1 ILE 18 47.066 1.615 -2.665
118 1HG2 ILE 18 1HG2 ILE 18 46.966 4.456 -5.394
119 2HG2 ILE 18 2HG2 ILE 18 47.520 4.835 -3.761
120 3HG2 ILE 18 3HG2 ILE 18 46.005 3.966 -3.997
121 1HD1 ILE 18 1HD1 ILE 18 49.404 0.914 -3.188
122 2HD1 ILE 18 2HD1 ILE 18 49.109 1.299 -1.495
123 3HD1 ILE 18 3HD1 ILE 18 49.951 2.455 -2.526
124 HA PRO 19 HA PRO 19 48.821 -2.128 -5.484
125 1HB PRO 19 2HB PRO 19 51.369 -1.078 -6.530
126 2HB PRO 19 1HB PRO 19 50.348 -2.375 -7.161
127 1HG PRO 19 2HG PRO 19 50.553 -0.009 -8.411
128 2HG PRO 19 1HG PRO 19 49.035 -0.925 -8.390
129 1HD PRO 19 2HD PRO 19 49.838 1.450 -6.746
130 2HD PRO 19 1HD PRO 19 48.278 1.089 -7.516
131 H ILE 20 H ILE 20 49.722 -2.960 -3.640
132 HA ILE 20 HA ILE 20 50.853 -1.239 -1.678
133 HB ILE 20 HB ILE 20 51.059 -4.229 -1.777
134 1HG1 ILE 20 2HG1 ILE 20 48.694 -3.190 -1.837
135 2HG1 ILE 20 1HG1 ILE 20 49.024 -4.421 -0.622
136 1HG2 ILE 20 1HG2 ILE 20 51.305 -4.055 0.667
137 2HG2 ILE 20 2HG2 ILE 20 51.315 -2.299 0.512
138 3HG2 ILE 20 3HG2 ILE 20 52.610 -3.256 -0.210
139 1HD1 ILE 20 1HD1 ILE 20 49.373 -2.672 1.044
140 2HD1 ILE 20 2HD1 ILE 20 47.769 -2.580 0.316
141 3HD1 ILE 20 3HD1 ILE 20 49.029 -1.448 -0.178
142 H SER 21 H SER 21 52.566 -0.302 -2.995
143 HA SER 21 HA SER 21 55.051 -1.636 -2.288
144 1HB SER 21 2HB SER 21 54.707 -2.237 -4.662
145 2HB SER 21 1HB SER 21 54.492 -0.538 -5.062
146 HG SER 21 HG SER 21 56.745 -0.489 -3.912
147 H TRP 22 H TRP 22 53.055 0.739 -1.958
148 HA TRP 22 HA TRP 22 55.064 2.909 -2.060
149 1HB TRP 22 2HB TRP 22 52.111 3.314 -2.518
150 2HB TRP 22 1HB TRP 22 53.396 4.484 -2.763
151 HD1 TRP 22 HD1 TRP 22 55.034 1.892 -4.370
152 HE1 TRP 22 HE1 TRP 22 54.430 1.630 -6.841
153 HE3 TRP 22 HE3 TRP 22 50.696 4.591 -4.430
154 HZ2 TRP 22 HZ2 TRP 22 52.400 2.488 -8.619
155 HZ3 TRP 22 HZ3 TRP 22 49.489 4.839 -6.562
156 HH2 TRP 22 HH2 TRP 22 50.324 3.809 -8.617
157 H THR 23 H THR 23 52.700 1.320 -0.193
158 HA THR 23 HA THR 23 51.806 3.473 1.388
159 HB THR 23 HB THR 23 50.830 1.600 2.776
160 HG1 THR 23 HG1 THR 23 52.636 0.220 1.313
161 1HG2 THR 23 1HG2 THR 23 50.366 1.558 -0.200
162 2HG2 THR 23 2HG2 THR 23 49.580 2.632 0.957
163 3HG2 THR 23 3HG2 THR 23 49.270 0.896 1.009
164 H CYS 24 H CYS 24 52.640 0.698 3.089
165 HA CYS 24 HA CYS 24 53.679 2.141 5.274
166 1HB CYS 24 2HB CYS 24 53.409 -0.791 4.671
167 2HB CYS 24 1HB CYS 24 53.857 -0.151 6.248
168 H ASP 25 H ASP 25 55.520 2.778 3.412
169 HA ASP 25 HA ASP 25 57.884 1.358 4.350
170 1HB ASP 25 2HB ASP 25 58.745 1.053 2.045
171 2HB ASP 25 1HB ASP 25 57.330 0.074 2.402
172 H LEU 26 H LEU 26 56.644 4.078 4.506
173 HA LEU 26 HA LEU 26 57.541 6.086 5.023
174 1HB LEU 26 2HB LEU 26 60.125 4.860 4.082
175 2HB LEU 26 1HB LEU 26 60.005 6.473 4.757
176 HG LEU 26 HG LEU 26 59.341 3.904 6.210
177 1HD1 LEU 26 1HD1 LEU 26 61.339 4.419 7.535
178 2HD1 LEU 26 2HD1 LEU 26 61.673 5.798 6.488
179 3HD1 LEU 26 3HD1 LEU 26 61.730 4.163 5.833
180 1HD2 LEU 26 1HD2 LEU 26 59.402 6.758 7.181
181 2HD2 LEU 26 2HD2 LEU 26 59.149 5.329 8.185
182 3HD2 LEU 26 3HD2 LEU 26 57.962 5.768 6.956
183 H ASP 27 H ASP 27 56.536 5.315 2.283
184 HA ASP 27 HA ASP 27 57.542 7.786 1.031
185 1HB ASP 27 2HB ASP 27 57.977 5.572 -0.232
186 2HB ASP 27 1HB ASP 27 56.249 5.583 -0.566
187 H ASP 28 H ASP 28 55.560 8.264 -0.811
188 HA ASP 28 HA ASP 28 53.277 8.734 0.993
189 1HB ASP 28 2HB ASP 28 54.732 10.713 0.950
190 2HB ASP 28 1HB ASP 28 54.627 10.758 -0.803
191 H ASP 29 H ASP 29 51.793 7.410 0.016
192 HA ASP 29 HA ASP 29 51.209 8.042 -2.795
193 1HB ASP 29 2HB ASP 29 50.347 5.826 -3.124
194 2HB ASP 29 1HB ASP 29 51.950 5.696 -2.414
195 H CYS 30 H CYS 30 49.836 7.452 0.351
196 HA CYS 30 HA CYS 30 47.285 8.542 -0.629
197 1HB CYS 30 2HB CYS 30 47.850 6.938 1.872
198 2HB CYS 30 1HB CYS 30 46.287 7.632 1.456
199 H GLY 31 H GLY 31 49.964 9.098 1.486
200 1HA GLY 31 2HA GLY 31 50.607 11.261 2.138
201 2HA GLY 31 1HA GLY 31 48.960 11.811 1.864
202 H ASP 32 H ASP 32 50.601 9.420 3.940
203 HA ASP 32 HA ASP 32 50.747 9.222 6.207
204 1HB ASP 32 2HB ASP 32 51.120 11.501 6.592
205 2HB ASP 32 1HB ASP 32 49.501 11.953 6.079
206 H ARG 33 H ARG 33 47.770 9.640 4.614
207 HA ARG 33 HA ARG 33 46.120 8.890 6.862
208 1HB ARG 33 2HB ARG 33 45.373 9.197 3.955
209 2HB ARG 33 1HB ARG 33 44.259 9.090 5.312
210 1HG ARG 33 2HG ARG 33 46.300 11.263 5.000
211 2HG ARG 33 1HG ARG 33 44.643 11.390 4.410
212 1HD ARG 33 2HD ARG 33 44.621 12.454 6.506
213 2HD ARG 33 1HD ARG 33 43.920 10.863 6.796
214 HE ARG 33 HE ARG 33 46.784 11.278 7.331
215 1HH1 ARG 33 1HH1 ARG 33 43.548 10.764 8.574
216 2HH1 ARG 33 2HH1 ARG 33 44.091 10.333 10.157
217 1HH2 ARG 33 1HH2 ARG 33 47.508 10.751 9.385
218 2HH2 ARG 33 2HH2 ARG 33 46.364 10.324 10.630
219 H SER 34 H SER 34 47.183 6.897 7.270
220 HA SER 34 HA SER 34 46.695 4.699 7.622
221 1HB SER 34 2HB SER 34 45.036 4.891 5.106
222 2HB SER 34 1HB SER 34 45.155 3.458 6.128
223 HG SER 34 HG SER 34 44.154 4.542 7.768
224 H ASP 35 H ASP 35 48.174 6.068 4.931
225 HA ASP 35 HA ASP 35 49.267 3.545 4.003
226 1HB ASP 35 2HB ASP 35 50.504 4.940 2.370
227 2HB ASP 35 1HB ASP 35 48.766 5.200 2.316
228 H GLU 36 H GLU 36 50.305 6.369 5.747
229 HA GLU 36 HA GLU 36 52.849 5.014 6.304
230 1HB GLU 36 2HB GLU 36 52.090 7.854 6.015
231 2HB GLU 36 1HB GLU 36 53.269 7.491 7.271
232 1HG GLU 36 2HG GLU 36 53.529 6.604 4.415
233 2HG GLU 36 1HG GLU 36 54.254 8.071 5.070
234 H SER 37 H SER 37 52.491 3.754 7.948
235 HA SER 37 HA SER 37 52.611 3.178 10.138
236 1HB SER 37 2HB SER 37 53.852 5.291 10.459
237 2HB SER 37 1HB SER 37 52.326 6.127 10.749
238 HG SER 37 HG SER 37 52.194 4.200 12.410
239 H ALA 38 H ALA 38 49.948 5.108 9.047
240 HA ALA 38 HA ALA 38 48.296 4.559 11.348
241 1HB ALA 38 1HB ALA 38 47.587 5.780 8.686
242 2HB ALA 38 2HB ALA 38 48.055 6.657 10.143
243 3HB ALA 38 3HB ALA 38 46.551 5.740 10.115
244 H SER 39 H SER 39 49.310 2.252 10.085
245 HA SER 39 HA SER 39 46.945 0.694 9.984
246 1HB SER 39 2HB SER 39 46.903 1.580 7.661
247 2HB SER 39 1HB SER 39 48.510 0.908 7.390
248 HG SER 39 HG SER 39 47.529 -0.870 6.888
249 H CYS 40 H CYS 40 50.278 0.688 8.736
250 HA CYS 40 HA CYS 40 50.727 -1.947 9.891
251 1HB CYS 40 2HB CYS 40 52.660 -0.251 8.311
252 2HB CYS 40 1HB CYS 40 52.768 -1.976 8.629
253 H ALA 41 H ALA 41 51.973 -2.313 11.652
254 HA ALA 41 HA ALA 41 52.550 -0.063 13.340
255 1HB ALA 41 1HB ALA 41 53.146 -1.740 15.012
256 2HB ALA 41 2HB ALA 41 53.058 -3.002 13.780
257 3HB ALA 41 3HB ALA 41 51.601 -2.122 14.246
258 H TYR 42 H TYR 42 54.271 -1.740 11.004
259 HA TYR 42 HA TYR 42 56.400 -1.724 10.247
260 1HB TYR 42 2HB TYR 42 56.643 0.689 12.053
261 2HB TYR 42 1HB TYR 42 57.867 0.192 10.892
262 HD1 TYR 42 HD1 TYR 42 56.939 2.874 10.657
263 HD2 TYR 42 HD2 TYR 42 55.126 -0.675 9.165
264 HE1 TYR 42 HE1 TYR 42 55.783 4.191 8.925
265 HE2 TYR 42 HE2 TYR 42 53.976 0.633 7.442
266 HH TYR 42 HH TYR 42 54.756 3.829 6.673
267 HA PRO 43 HA PRO 43 58.176 -4.002 13.823
268 1HB PRO 43 2HB PRO 43 58.744 -6.039 11.810
269 2HB PRO 43 1HB PRO 43 57.812 -6.183 13.300
270 1HG PRO 43 2HG PRO 43 56.674 -6.290 10.841
271 2HG PRO 43 1HG PRO 43 55.831 -5.664 12.270
272 1HD PRO 43 2HD PRO 43 57.162 -4.166 10.043
273 2HD PRO 43 1HD PRO 43 55.631 -3.818 10.876
274 H THR 44 H THR 44 59.134 -3.565 10.496
275 HA THR 44 HA THR 44 61.603 -2.354 11.068
276 HB THR 44 HB THR 44 62.328 -4.649 11.632
277 HG1 THR 44 HG1 THR 44 63.360 -3.522 9.236
278 1HG2 THR 44 1HG2 THR 44 62.393 -6.407 9.930
279 2HG2 THR 44 2HG2 THR 44 61.562 -5.346 8.790
280 3HG2 THR 44 3HG2 THR 44 60.736 -5.898 10.248
281 H CYS 45 H CYS 45 59.272 -1.880 9.589
282 HA CYS 45 HA CYS 45 58.359 -1.416 7.568
283 1HB CYS 45 2HB CYS 45 61.229 -1.664 6.638
284 2HB CYS 45 1HB CYS 45 59.909 -1.144 5.600
285 H PHE 46 H PHE 46 58.870 -2.459 5.034
286 HA PHE 46 HA PHE 46 58.565 -4.238 3.696
287 1HB PHE 46 2HB PHE 46 60.768 -4.889 4.488
288 2HB PHE 46 1HB PHE 46 60.063 -5.675 5.895
289 HD1 PHE 46 HD1 PHE 46 60.832 -7.870 5.570
290 HD2 PHE 46 HD2 PHE 46 58.786 -5.856 2.429
291 HE1 PHE 46 HE1 PHE 46 60.663 -9.983 4.329
292 HE2 PHE 46 HE2 PHE 46 58.618 -7.965 1.181
293 HZ PHE 46 HZ PHE 46 59.559 -10.039 2.131
294 HA PRO 47 HA PRO 47 54.994 -6.276 5.596
295 1HB PRO 47 2HB PRO 47 53.037 -4.432 5.249
296 2HB PRO 47 1HB PRO 47 54.018 -4.517 6.715
297 1HG PRO 47 2HG PRO 47 53.994 -2.483 4.645
298 2HG PRO 47 1HG PRO 47 54.782 -2.449 6.228
299 1HD PRO 47 2HD PRO 47 55.924 -3.073 3.595
300 2HD PRO 47 1HD PRO 47 56.754 -2.666 5.112
301 H LEU 48 H LEU 48 56.241 -5.430 2.836
302 HA LEU 48 HA LEU 48 54.104 -6.478 1.185
303 1HB LEU 48 2HB LEU 48 54.784 -4.584 -0.509
304 2HB LEU 48 1HB LEU 48 53.549 -4.316 0.708
305 HG LEU 48 HG LEU 48 56.038 -3.644 1.866
306 1HD1 LEU 48 1HD1 LEU 48 55.581 -2.272 -0.777
307 2HD1 LEU 48 2HD1 LEU 48 56.870 -3.427 -0.454
308 3HD1 LEU 48 3HD1 LEU 48 56.831 -1.881 0.398
309 1HD2 LEU 48 1HD2 LEU 48 53.746 -1.913 0.919
310 2HD2 LEU 48 2HD2 LEU 48 55.001 -1.424 2.057
311 3HD2 LEU 48 3HD2 LEU 48 53.871 -2.705 2.491
312 H THR 49 H THR 49 57.198 -4.860 0.558
313 HA THR 49 HA THR 49 58.721 -7.069 -0.074
314 HB THR 49 HB THR 49 57.107 -7.509 -1.860
315 HG1 THR 49 HG1 THR 49 58.611 -7.829 -3.427
316 1HG2 THR 49 1HG2 THR 49 56.313 -5.234 -2.274
317 2HG2 THR 49 2HG2 THR 49 56.839 -6.021 -3.761
318 3HG2 THR 49 3HG2 THR 49 57.873 -4.822 -2.987
319 H GLN 50 H GLN 50 60.427 -6.049 0.695
320 HA GLN 50 HA GLN 50 61.222 -3.448 -0.368
321 1HB GLN 50 2HB GLN 50 60.689 -4.063 2.540
322 2HB GLN 50 1HB GLN 50 61.617 -2.675 2.000
323 1HG GLN 50 2HG GLN 50 58.760 -3.199 1.231
324 2HG GLN 50 1HG GLN 50 59.264 -2.180 2.580
325 1HE2 GLN 50 1HE2 GLN 50 60.376 -0.249 2.136
326 2HE2 GLN 50 2HE2 GLN 50 60.243 0.535 0.604
327 H PHE 51 H PHE 51 63.387 -2.884 0.105
328 HA PHE 51 HA PHE 51 65.069 -5.030 1.225
329 1HB PHE 51 2HB PHE 51 65.621 -4.256 -1.100
330 2HB PHE 51 1HB PHE 51 65.903 -2.644 -0.462
331 HD1 PHE 51 HD1 PHE 51 67.189 -6.065 -0.664
332 HD2 PHE 51 HD2 PHE 51 67.917 -2.136 0.771
333 HE1 PHE 51 HE1 PHE 51 69.532 -6.660 -0.216
334 HE2 PHE 51 HE2 PHE 51 70.248 -2.713 1.220
335 HZ PHE 51 HZ PHE 51 71.070 -4.984 0.727
336 H THR 52 H THR 52 66.830 -4.216 2.703
337 HA THR 52 HA THR 52 65.725 -2.063 4.352
338 HB THR 52 HB THR 52 67.665 -4.221 5.203
339 HG1 THR 52 HG1 THR 52 65.403 -4.751 6.298
340 1HG2 THR 52 1HG2 THR 52 65.927 -2.313 6.779
341 2HG2 THR 52 2HG2 THR 52 67.681 -2.227 6.609
342 3HG2 THR 52 3HG2 THR 52 66.944 -3.581 7.465
343 H CYS 53 H CYS 53 66.678 -0.223 3.810
344 HA CYS 53 HA CYS 53 69.289 0.124 2.844
345 1HB CYS 53 2HB CYS 53 67.553 1.767 2.505
346 2HB CYS 53 1HB CYS 53 67.393 2.016 4.240
347 H ASN 54 H ASN 54 71.206 0.116 3.846
348 HA ASN 54 HA ASN 54 71.471 -0.629 6.530
349 1HB ASN 54 2HB ASN 54 73.806 -0.566 6.224
350 2HB ASN 54 1HB ASN 54 73.154 -0.982 4.646
351 1HD2 ASN 54 1HD2 ASN 54 72.364 1.612 3.835
352 2HD2 ASN 54 2HD2 ASN 54 73.778 2.572 3.610
353 H ASN 55 H ASN 55 71.151 2.510 5.142
354 HA ASN 55 HA ASN 55 72.444 3.966 7.193
355 1HB ASN 55 2HB ASN 55 71.787 4.650 4.750
356 2HB ASN 55 1HB ASN 55 70.272 5.140 5.500
357 1HD2 ASN 55 1HD2 ASN 55 73.649 5.748 5.191
358 2HD2 ASN 55 2HD2 ASN 55 73.664 7.286 5.991
359 H GLY 56 H GLY 56 69.678 2.166 7.279
360 1HA GLY 56 2HA GLY 56 68.572 2.019 9.436
361 2HA GLY 56 1HA GLY 56 68.647 3.773 9.528
362 H ARG 57 H ARG 57 67.901 3.384 6.437
363 HA ARG 57 HA ARG 57 65.049 3.685 6.984
364 1HB ARG 57 2HB ARG 57 66.337 3.947 4.276
365 2HB ARG 57 1HB ARG 57 64.798 4.594 4.814
366 1HG ARG 57 2HG ARG 57 65.981 6.505 4.893
367 2HG ARG 57 1HG ARG 57 66.422 5.893 6.491
368 1HD ARG 57 2HD ARG 57 68.484 5.036 5.685
369 2HD ARG 57 1HD ARG 57 68.020 5.315 4.008
370 HE ARG 57 HE ARG 57 68.409 7.556 5.875
371 1HH1 ARG 57 1HH1 ARG 57 69.206 5.873 2.906
372 2HH1 ARG 57 2HH1 ARG 57 70.204 7.151 2.297
373 1HH2 ARG 57 1HH2 ARG 57 69.741 9.246 5.076
374 2HH2 ARG 57 2HH2 ARG 57 70.509 9.068 3.534
375 H CYS 58 H CYS 58 63.652 2.774 5.092
376 HA CYS 58 HA CYS 58 64.620 0.118 4.276
377 1HB CYS 58 2HB CYS 58 62.125 -0.481 4.277
378 2HB CYS 58 1HB CYS 58 62.913 -0.341 5.845
379 H ILE 59 H ILE 59 64.571 -0.217 2.118
380 HA ILE 59 HA ILE 59 63.425 1.968 0.528
381 HB ILE 59 HB ILE 59 65.106 1.267 -1.235
382 1HG1 ILE 59 2HG1 ILE 59 66.421 -0.085 1.131
383 2HG1 ILE 59 1HG1 ILE 59 65.635 -0.930 -0.196
384 1HG2 ILE 59 1HG2 ILE 59 66.926 2.541 -0.171
385 2HG2 ILE 59 2HG2 ILE 59 66.090 2.409 1.376
386 3HG2 ILE 59 3HG2 ILE 59 65.352 3.304 0.046
387 1HD1 ILE 59 1HD1 ILE 59 68.097 -0.842 -0.398
388 2HD1 ILE 59 2HD1 ILE 59 67.997 0.911 -0.523
389 3HD1 ILE 59 3HD1 ILE 59 67.261 -0.107 -1.764
390 H ASN 60 H ASN 60 62.626 1.398 -1.608
391 HA ASN 60 HA ASN 60 60.845 -0.794 -1.494
392 1HB ASN 60 2HB ASN 60 61.689 0.979 -3.788
393 2HB ASN 60 1HB ASN 60 60.470 -0.277 -3.951
394 1HD2 ASN 60 1HD2 ASN 60 59.246 0.105 -1.401
395 2HD2 ASN 60 2HD2 ASN 60 58.410 1.626 -1.450
396 H ILE 61 H ILE 61 60.825 -2.712 -2.715
397 HA ILE 61 HA ILE 61 63.400 -3.917 -2.960
398 HB ILE 61 HB ILE 61 61.256 -5.061 -2.241
399 1HG1 ILE 61 2HG1 ILE 61 61.903 -7.216 -3.264
400 2HG1 ILE 61 1HG1 ILE 61 62.919 -6.352 -4.413
401 1HG2 ILE 61 1HG2 ILE 61 60.805 -5.232 -5.216
402 2HG2 ILE 61 2HG2 ILE 61 59.864 -4.250 -4.095
403 3HG2 ILE 61 3HG2 ILE 61 59.838 -6.008 -3.956
404 1HD1 ILE 61 1HD1 ILE 61 64.295 -5.533 -2.573
405 2HD1 ILE 61 2HD1 ILE 61 64.239 -7.295 -2.615
406 3HD1 ILE 61 3HD1 ILE 61 63.279 -6.408 -1.430
407 H ASN 62 H ASN 62 61.941 -1.798 -4.939
408 HA ASN 62 HA ASN 62 62.862 -3.089 -7.414
409 1HB ASN 62 2HB ASN 62 61.286 -1.517 -8.585
410 2HB ASN 62 1HB ASN 62 60.508 -2.722 -7.569
411 1HD2 ASN 62 1HD2 ASN 62 58.660 -1.631 -7.209
412 2HD2 ASN 62 2HD2 ASN 62 58.565 -0.165 -6.301
413 H TRP 63 H TRP 63 64.503 -1.600 -5.524
414 HA TRP 63 HA TRP 63 65.377 0.637 -7.239
415 1HB TRP 63 2HB TRP 63 66.011 -0.020 -4.347
416 2HB TRP 63 1HB TRP 63 66.831 1.247 -5.253
417 HD1 TRP 63 HD1 TRP 63 63.065 0.778 -5.668
418 HE1 TRP 63 HE1 TRP 63 61.842 2.812 -4.674
419 HE3 TRP 63 HE3 TRP 63 67.032 3.096 -3.447
420 HZ2 TRP 63 HZ2 TRP 63 62.476 5.086 -3.143
421 HZ3 TRP 63 HZ3 TRP 63 66.635 5.200 -2.236
422 HH2 TRP 63 HH2 TRP 63 64.407 6.174 -2.086
423 H ARG 64 H ARG 64 65.662 -2.464 -6.983
424 HA ARG 64 HA ARG 64 68.385 -3.055 -7.452
425 1HB ARG 64 2HB ARG 64 65.887 -4.364 -8.569
426 2HB ARG 64 1HB ARG 64 67.496 -5.061 -8.601
427 1HG ARG 64 2HG ARG 64 66.306 -4.330 -5.975
428 2HG ARG 64 1HG ARG 64 65.740 -5.781 -6.803
429 1HD ARG 64 2HD ARG 64 68.649 -5.208 -6.286
430 2HD ARG 64 1HD ARG 64 67.636 -6.096 -5.154
431 HE ARG 64 HE ARG 64 67.591 -7.898 -6.616
432 1HH1 ARG 64 1HH1 ARG 64 69.264 -5.202 -8.120
433 2HH1 ARG 64 2HH1 ARG 64 70.076 -6.198 -9.285
434 1HH2 ARG 64 1HH2 ARG 64 68.666 -9.196 -8.168
435 2HH2 ARG 64 2HH2 ARG 64 69.727 -8.452 -9.317
436 H CYS 65 H CYS 65 69.175 -1.320 -8.876
437 HA CYS 65 HA CYS 65 67.863 -1.164 -11.462
438 1HB CYS 65 2HB CYS 65 69.270 0.731 -11.952
439 2HB CYS 65 1HB CYS 65 68.590 0.927 -10.342
440 H ASP 66 H ASP 66 70.849 -2.318 -10.081
441 HA ASP 66 HA ASP 66 71.291 -3.815 -12.544
442 1HB ASP 66 2HB ASP 66 73.712 -3.272 -12.550
443 2HB ASP 66 1HB ASP 66 72.683 -1.884 -12.863
444 H ASN 67 H ASN 67 73.407 -3.455 -9.673
445 HA ASN 67 HA ASN 67 73.885 -6.256 -9.694
446 1HB ASN 67 2HB ASN 67 75.624 -4.645 -9.007
447 2HB ASN 67 1HB ASN 67 74.657 -4.218 -7.599
448 1HD2 ASN 67 1HD2 ASN 67 74.724 -5.477 -5.809
449 2HD2 ASN 67 2HD2 ASN 67 75.690 -6.912 -5.679
450 H ASP 68 H ASP 68 72.760 -4.296 -6.936
451 HA ASP 68 HA ASP 68 70.531 -6.169 -6.637
452 1HB ASP 68 2HB ASP 68 72.433 -6.794 -5.045
453 2HB ASP 68 1HB ASP 68 72.096 -5.278 -4.213
454 H ASN 69 H ASN 69 70.231 -4.507 -3.927
455 HA ASN 69 HA ASN 69 68.608 -2.446 -5.307
456 1HB ASN 69 2HB ASN 69 67.576 -4.460 -4.004
457 2HB ASN 69 1HB ASN 69 68.006 -3.533 -2.573
458 1HD2 ASN 69 1HD2 ASN 69 66.983 -1.555 -2.210
459 2HD2 ASN 69 2HD2 ASN 69 65.471 -1.171 -2.960
460 H ASP 70 H ASP 70 69.117 -0.339 -4.877
461 HA ASP 70 HA ASP 70 70.897 0.092 -2.575
462 1HB ASP 70 2HB ASP 70 71.976 1.782 -3.694
463 2HB ASP 70 1HB ASP 70 71.723 0.554 -4.925
464 H CYS 71 H CYS 71 71.000 2.537 -2.016
465 HA CYS 71 HA CYS 71 68.273 3.398 -1.343
466 1HB CYS 71 2HB CYS 71 69.102 2.017 0.487
467 2HB CYS 71 1HB CYS 71 70.586 2.956 0.558
468 H GLY 72 H GLY 72 71.221 4.224 -2.620
469 1HA GLY 72 2HA GLY 72 71.742 6.368 -3.427
470 2HA GLY 72 1HA GLY 72 70.659 7.060 -2.233
471 H ASP 73 H ASP 73 72.229 5.131 -0.262
472 HA ASP 73 HA ASP 73 74.336 7.122 0.208
473 1HB ASP 73 2HB ASP 73 74.191 6.603 2.562
474 2HB ASP 73 1HB ASP 73 72.576 6.949 1.956
475 H ASN 74 H ASN 74 73.771 3.643 0.846
476 HA ASN 74 HA ASN 74 76.144 2.749 -0.360
477 1HB ASN 74 2HB ASN 74 77.009 4.021 1.731
478 2HB ASN 74 1HB ASN 74 76.331 2.692 2.656
479 1HD2 ASN 74 1HD2 ASN 74 77.033 0.669 0.658
480 2HD2 ASN 74 2HD2 ASN 74 78.744 0.469 0.761
481 H SER 75 H SER 75 73.782 1.777 -0.758
482 HA SER 75 HA SER 75 73.100 -0.230 1.221
483 1HB SER 75 2HB SER 75 71.353 1.223 0.182
484 2HB SER 75 1HB SER 75 71.673 0.411 -1.351
485 HG SER 75 HG SER 75 70.716 -1.368 -0.638
486 H ASP 76 H ASP 76 72.405 -0.917 -2.052
487 HA ASP 76 HA ASP 76 73.595 -3.443 -2.104
488 1HB ASP 76 2HB ASP 76 71.900 -3.029 -3.679
489 2HB ASP 76 1HB ASP 76 72.668 -1.546 -4.243
490 H GLU 77 H GLU 77 74.604 -0.472 -3.733
491 HA GLU 77 HA GLU 77 77.394 -1.313 -3.411
492 1HB GLU 77 2HB GLU 77 77.595 0.340 -5.540
493 2HB GLU 77 1HB GLU 77 77.434 -1.401 -5.674
494 1HG GLU 77 2HG GLU 77 75.962 -0.241 -7.230
495 2HG GLU 77 1HG GLU 77 75.042 -1.175 -6.055
496 H ALA 78 H ALA 78 75.307 1.425 -3.954
497 HA ALA 78 HA ALA 78 76.163 2.888 -1.705
498 1HB ALA 78 1HB ALA 78 77.311 4.751 -2.826
499 2HB ALA 78 2HB ALA 78 77.275 3.849 -4.341
500 3HB ALA 78 3HB ALA 78 78.209 3.241 -2.976
501 H GLY 79 H GLY 79 75.450 4.005 -5.011
502 1HA GLY 79 2HA GLY 79 72.749 4.722 -4.265
503 2HA GLY 79 1HA GLY 79 73.846 6.087 -4.421
504 H CYS 80 H CYS 80 71.864 3.865 -6.036
505 HA CYS 80 HA CYS 80 72.904 4.582 -8.681
506 1HB CYS 80 2HB CYS 80 72.356 2.221 -8.186
507 2HB CYS 80 1HB CYS 80 70.698 2.682 -7.844
508 H SER 81 H SER 81 70.845 5.742 -6.397
509 HA SER 81 HA SER 81 68.720 6.655 -8.141
510 1HB SER 81 2HB SER 81 69.217 7.128 -5.192
511 2HB SER 81 1HB SER 81 67.758 7.582 -6.072
512 HG SER 81 HG SER 81 68.757 4.934 -5.805
513 H HIS 82 HN HIS 82 71.189 7.657 -8.920
514 HA HIS 82 HA HIS 82 72.033 9.580 -9.775
515 1HB HIS 82 2HB HIS 82 69.687 10.912 -8.423
516 2HB HIS 82 1HB HIS 82 70.818 11.735 -9.488
517 HD1 HIS 82 HD1 HIS 82 67.799 9.596 -9.521
518 HD2 HIS 82 HD2 HIS 82 70.660 10.931 -12.221
519 HE1 HIS 82 HE1 HIS 82 66.844 9.187 -11.826
Start of MODEL 10
1 1H SER 1 1HT SER 1 38.515 -6.160 -3.332
2 2H SER 1 2HT SER 1 38.262 -4.488 -3.380
3 3H SER 1 3HT SER 1 37.676 -5.468 -4.629
4 HA SER 1 HA SER 1 36.174 -6.570 -3.101
5 1HB SER 1 2HB SER 1 37.611 -6.146 -1.085
6 2HB SER 1 1HB SER 1 37.100 -4.461 -1.123
7 HG SER 1 HG SER 1 35.909 -6.289 0.181
8 H ALA 2 H ALA 2 34.435 -4.784 -1.719
9 HA ALA 2 HA ALA 2 33.059 -3.645 -3.877
10 1HB ALA 2 1HB ALA 2 31.942 -4.320 -1.834
11 2HB ALA 2 2HB ALA 2 31.613 -2.622 -2.183
12 3HB ALA 2 3HB ALA 2 32.787 -3.058 -0.941
13 H ARG 3 H ARG 3 35.446 -2.344 -1.756
14 HA ARG 3 HA ARG 3 35.674 -0.026 -3.486
15 1HB ARG 3 2HB ARG 3 34.215 0.775 -1.685
16 2HB ARG 3 1HB ARG 3 35.398 0.264 -0.486
17 1HG ARG 3 2HG ARG 3 35.446 2.693 -0.939
18 2HG ARG 3 1HG ARG 3 36.983 1.896 -1.286
19 1HD ARG 3 2HD ARG 3 36.187 1.739 -3.691
20 2HD ARG 3 1HD ARG 3 34.891 2.842 -3.233
21 HE ARG 3 HE ARG 3 36.829 4.347 -2.501
22 1HH1 ARG 3 1HH1 ARG 3 37.007 2.088 -5.158
23 2HH1 ARG 3 2HH1 ARG 3 38.155 3.025 -6.051
24 1HH2 ARG 3 1HH2 ARG 3 38.341 5.581 -3.647
25 2HH2 ARG 3 2HH2 ARG 3 38.931 5.025 -5.181
26 H THR 4 H THR 4 36.969 -1.878 -0.777
27 HA THR 4 HA THR 4 39.530 -0.718 -0.827
28 HB THR 4 HB THR 4 40.093 -3.049 0.301
29 HG1 THR 4 HG1 THR 4 38.007 -3.658 1.385
30 1HG2 THR 4 1HG2 THR 4 39.359 -2.120 2.438
31 2HG2 THR 4 2HG2 THR 4 38.317 -0.977 1.593
32 3HG2 THR 4 3HG2 THR 4 40.068 -0.858 1.425
33 H CYS 5 H CYS 5 41.417 -1.372 -1.653
34 HA CYS 5 HA CYS 5 41.438 -2.348 -4.263
35 1HB CYS 5 2HB CYS 5 43.647 -1.853 -2.266
36 2HB CYS 5 1HB CYS 5 43.936 -2.271 -3.956
37 HA PRO 6 HA PRO 6 41.968 -6.780 -4.032
38 1HB PRO 6 2HB PRO 6 44.412 -6.457 -5.687
39 2HB PRO 6 1HB PRO 6 42.966 -7.425 -5.994
40 1HG PRO 6 2HG PRO 6 43.419 -5.166 -7.340
41 2HG PRO 6 1HG PRO 6 41.779 -5.617 -6.837
42 1HD PRO 6 2HD PRO 6 43.646 -3.608 -5.655
43 2HD PRO 6 1HD PRO 6 41.885 -3.525 -5.867
44 HA PRO 7 HA PRO 7 44.780 -7.699 -0.788
45 1HB PRO 7 2HB PRO 7 45.410 -10.269 -2.121
46 2HB PRO 7 1HB PRO 7 44.734 -9.969 -0.516
47 1HG PRO 7 2HG PRO 7 43.201 -10.888 -2.492
48 2HG PRO 7 1HG PRO 7 42.580 -9.697 -1.334
49 1HD PRO 7 2HD PRO 7 43.531 -9.294 -4.143
50 2HD PRO 7 1HD PRO 7 42.141 -8.569 -3.310
51 H ASN 8 H ASN 8 45.951 -7.684 -4.016
52 HA ASN 8 HA ASN 8 48.726 -8.108 -3.303
53 1HB ASN 8 2HB ASN 8 47.477 -8.560 -5.595
54 2HB ASN 8 1HB ASN 8 47.883 -6.874 -5.893
55 1HD2 ASN 8 1HD2 ASN 8 50.421 -7.005 -4.437
56 2HD2 ASN 8 2HD2 ASN 8 51.493 -7.918 -5.442
57 H GLN 9 H GLN 9 46.563 -5.635 -2.960
58 HA GLN 9 HA GLN 9 48.671 -3.682 -2.612
59 1HB GLN 9 2HB GLN 9 47.196 -1.946 -3.817
60 2HB GLN 9 1HB GLN 9 48.159 -3.037 -4.800
61 1HG GLN 9 2HG GLN 9 45.527 -4.112 -4.274
62 2HG GLN 9 1HG GLN 9 45.450 -2.524 -5.038
63 1HE2 GLN 9 1HE2 GLN 9 48.132 -4.677 -5.544
64 2HE2 GLN 9 2HE2 GLN 9 47.771 -5.067 -7.186
65 H PHE 10 H PHE 10 46.990 -1.493 -2.233
66 HA PHE 10 HA PHE 10 45.272 -2.207 0.011
67 1HB PHE 10 2HB PHE 10 47.401 -2.187 1.077
68 2HB PHE 10 1HB PHE 10 47.908 -0.747 0.211
69 HD1 PHE 10 HD1 PHE 10 47.501 1.389 1.055
70 HD2 PHE 10 HD2 PHE 10 45.663 -1.990 2.876
71 HE1 PHE 10 HE1 PHE 10 46.806 2.789 2.941
72 HE2 PHE 10 HE2 PHE 10 44.956 -0.579 4.776
73 HZ PHE 10 HZ PHE 10 45.531 1.824 4.804
74 H SER 11 H SER 11 44.180 -0.203 0.849
75 HA SER 11 HA SER 11 43.751 1.637 -1.357
76 1HB SER 11 2HB SER 11 41.889 0.777 0.852
77 2HB SER 11 1HB SER 11 41.522 2.052 -0.314
78 HG SER 11 HG SER 11 41.825 0.466 -1.963
79 H CYS 12 H CYS 12 45.035 3.321 -0.982
80 HA CYS 12 HA CYS 12 45.354 4.586 1.495
81 1HB CYS 12 2HB CYS 12 46.862 5.285 -0.169
82 2HB CYS 12 1HB CYS 12 45.574 5.584 -1.331
83 H ALA 13 H ALA 13 44.230 6.180 2.497
84 HA ALA 13 HA ALA 13 41.731 5.858 3.072
85 1HB ALA 13 1HB ALA 13 43.169 7.552 4.083
86 2HB ALA 13 2HB ALA 13 41.529 8.140 3.813
87 3HB ALA 13 3HB ALA 13 42.835 8.633 2.731
88 H SER 14 H SER 14 40.234 5.253 1.666
89 HA SER 14 HA SER 14 38.198 5.609 0.764
90 1HB SER 14 2HB SER 14 38.971 8.525 0.739
91 2HB SER 14 1HB SER 14 37.356 7.890 0.427
92 HG SER 14 HG SER 14 37.438 8.447 2.571
93 H GLY 15 H GLY 15 40.781 7.393 -0.939
94 1HA GLY 15 2HA GLY 15 39.196 7.006 -3.400
95 2HA GLY 15 1HA GLY 15 40.296 8.343 -3.138
96 H ARG 16 H ARG 16 42.413 6.472 -2.079
97 HA ARG 16 HA ARG 16 43.434 6.137 -4.799
98 1HB ARG 16 2HB ARG 16 44.943 6.250 -2.189
99 2HB ARG 16 1HB ARG 16 45.670 6.131 -3.782
100 1HG ARG 16 2HG ARG 16 45.871 8.380 -3.250
101 2HG ARG 16 1HG ARG 16 44.449 8.332 -4.290
102 1HD ARG 16 2HD ARG 16 43.003 8.368 -2.316
103 2HD ARG 16 1HD ARG 16 44.424 8.402 -1.275
104 HE ARG 16 HE ARG 16 43.776 10.566 -3.170
105 1HH1 ARG 16 1HH1 ARG 16 44.906 9.436 -0.060
106 2HH1 ARG 16 2HH1 ARG 16 45.108 11.028 0.594
107 1HH2 ARG 16 1HH2 ARG 16 44.027 12.681 -2.303
108 2HH2 ARG 16 2HH2 ARG 16 44.603 12.876 -0.683
109 H CYS 17 H CYS 17 45.162 4.405 -5.026
110 HA CYS 17 HA CYS 17 44.458 1.895 -3.681
111 1HB CYS 17 2HB CYS 17 43.260 2.316 -5.999
112 2HB CYS 17 1HB CYS 17 44.840 1.890 -6.657
113 H ILE 18 H ILE 18 46.456 1.702 -2.701
114 HA ILE 18 HA ILE 18 48.834 2.177 -4.378
115 HB ILE 18 HB ILE 18 50.028 2.858 -2.414
116 1HG1 ILE 18 2HG1 ILE 18 48.225 3.041 -0.328
117 2HG1 ILE 18 1HG1 ILE 18 47.878 1.460 -1.017
118 1HG2 ILE 18 1HG2 ILE 18 47.281 4.078 -2.306
119 2HG2 ILE 18 2HG2 ILE 18 48.567 4.549 -3.423
120 3HG2 ILE 18 3HG2 ILE 18 48.771 4.797 -1.687
121 1HD1 ILE 18 1HD1 ILE 18 49.487 1.199 0.719
122 2HD1 ILE 18 2HD1 ILE 18 50.516 2.453 0.025
123 3HD1 ILE 18 3HD1 ILE 18 50.290 0.921 -0.829
124 HA PRO 19 HA PRO 19 49.723 -2.144 -4.044
125 1HB PRO 19 2HB PRO 19 52.573 -1.294 -4.087
126 2HB PRO 19 1HB PRO 19 51.713 -2.421 -5.143
127 1HG PRO 19 2HG PRO 19 52.370 0.009 -6.011
128 2HG PRO 19 1HG PRO 19 50.813 -0.720 -6.447
129 1HD PRO 19 2HD PRO 19 51.412 1.377 -4.396
130 2HD PRO 19 1HD PRO 19 50.047 1.263 -5.527
131 H ILE 20 H ILE 20 50.519 -3.670 -2.580
132 HA ILE 20 HA ILE 20 50.520 -2.948 0.125
133 HB ILE 20 HB ILE 20 51.153 -5.408 -1.409
134 1HG1 ILE 20 2HG1 ILE 20 48.830 -4.789 -0.928
135 2HG1 ILE 20 1HG1 ILE 20 49.266 -6.312 -0.156
136 1HG2 ILE 20 1HG2 ILE 20 51.608 -5.195 1.545
137 2HG2 ILE 20 2HG2 ILE 20 52.830 -5.507 0.316
138 3HG2 ILE 20 3HG2 ILE 20 51.566 -6.698 0.617
139 1HD1 ILE 20 1HD1 ILE 20 49.124 -3.623 1.196
140 2HD1 ILE 20 2HD1 ILE 20 49.548 -5.152 1.969
141 3HD1 ILE 20 3HD1 ILE 20 47.926 -4.914 1.315
142 H SER 21 H SER 21 52.123 -2.990 1.702
143 HA SER 21 HA SER 21 54.158 -2.822 2.685
144 1HB SER 21 2HB SER 21 55.344 -3.254 -0.054
145 2HB SER 21 1HB SER 21 56.231 -3.254 1.472
146 HG SER 21 HG SER 21 55.367 -5.336 0.430
147 H TRP 22 H TRP 22 53.148 -0.990 0.072
148 HA TRP 22 HA TRP 22 55.010 1.147 0.160
149 1HB TRP 22 2HB TRP 22 52.149 0.997 -0.729
150 2HB TRP 22 1HB TRP 22 53.014 2.525 -0.730
151 HD1 TRP 22 HD1 TRP 22 54.157 -0.971 -1.988
152 HE1 TRP 22 HE1 TRP 22 54.886 -0.703 -4.433
153 HE3 TRP 22 HE3 TRP 22 53.086 3.980 -2.619
154 HZ2 TRP 22 HZ2 TRP 22 55.021 1.351 -6.381
155 HZ3 TRP 22 HZ3 TRP 22 53.544 5.025 -4.791
156 HH2 TRP 22 HH2 TRP 22 54.491 3.737 -6.638
157 H THR 23 H THR 23 52.165 0.430 1.972
158 HA THR 23 HA THR 23 51.696 2.896 3.156
159 HB THR 23 HB THR 23 49.875 1.639 3.555
160 HG1 THR 23 HG1 THR 23 51.131 2.041 5.711
161 1HG2 THR 23 1HG2 THR 23 50.626 -0.380 2.488
162 2HG2 THR 23 2HG2 THR 23 49.918 -0.812 4.046
163 3HG2 THR 23 3HG2 THR 23 51.670 -0.770 3.857
164 H CYS 24 H CYS 24 53.293 0.133 4.673
165 HA CYS 24 HA CYS 24 54.553 1.887 6.566
166 1HB CYS 24 2HB CYS 24 54.935 -1.075 6.180
167 2HB CYS 24 1HB CYS 24 55.447 -0.119 7.567
168 H ASP 25 H ASP 25 55.966 3.120 5.284
169 HA ASP 25 HA ASP 25 58.056 1.647 3.796
170 1HB ASP 25 2HB ASP 25 56.672 2.964 2.291
171 2HB ASP 25 1HB ASP 25 56.907 4.397 3.282
172 H LEU 26 H LEU 26 57.566 4.836 5.280
173 HA LEU 26 HA LEU 26 59.371 4.531 7.374
174 1HB LEU 26 2HB LEU 26 60.855 4.810 5.097
175 2HB LEU 26 1HB LEU 26 60.666 6.488 5.564
176 HG LEU 26 HG LEU 26 61.867 4.298 7.259
177 1HD1 LEU 26 1HD1 LEU 26 63.152 6.712 5.985
178 2HD1 LEU 26 2HD1 LEU 26 63.257 5.067 5.363
179 3HD1 LEU 26 3HD1 LEU 26 63.957 5.459 6.933
180 1HD2 LEU 26 1HD2 LEU 26 60.708 5.910 8.651
181 2HD2 LEU 26 2HD2 LEU 26 61.540 7.237 7.841
182 3HD2 LEU 26 3HD2 LEU 26 62.454 6.089 8.820
183 H ASP 27 H ASP 27 58.005 6.713 5.004
184 HA ASP 27 HA ASP 27 56.939 8.313 7.237
185 1HB ASP 27 2HB ASP 27 58.708 9.396 5.567
186 2HB ASP 27 1HB ASP 27 57.289 9.558 4.539
187 H ASP 28 H ASP 28 54.835 9.463 6.469
188 HA ASP 28 HA ASP 28 53.055 7.348 5.859
189 1HB ASP 28 2HB ASP 28 52.256 9.126 7.257
190 2HB ASP 28 1HB ASP 28 52.599 10.331 6.024
191 H ASP 29 H ASP 29 52.590 6.478 3.973
192 HA ASP 29 HA ASP 29 53.088 7.799 1.485
193 1HB ASP 29 2HB ASP 29 52.993 5.262 1.914
194 2HB ASP 29 1HB ASP 29 51.244 5.448 1.905
195 H CYS 30 H CYS 30 49.985 6.401 2.185
196 HA CYS 30 HA CYS 30 48.907 8.676 3.423
197 1HB CYS 30 2HB CYS 30 47.257 9.379 1.809
198 2HB CYS 30 1HB CYS 30 48.891 9.667 1.234
199 H GLY 31 H GLY 31 48.967 5.604 3.294
200 1HA GLY 31 2HA GLY 31 46.644 4.413 2.538
201 2HA GLY 31 1HA GLY 31 47.572 3.902 3.937
202 H ASP 32 H ASP 32 47.156 5.786 5.786
203 HA ASP 32 HA ASP 32 44.257 6.252 5.849
204 1HB ASP 32 2HB ASP 32 44.877 4.256 7.267
205 2HB ASP 32 1HB ASP 32 45.814 5.349 8.282
206 H ARG 33 H ARG 33 46.499 7.930 5.135
207 HA ARG 33 HA ARG 33 47.206 10.094 5.436
208 1HB ARG 33 2HB ARG 33 45.075 10.321 7.568
209 2HB ARG 33 1HB ARG 33 45.739 11.606 6.558
210 1HG ARG 33 2HG ARG 33 44.473 11.051 4.770
211 2HG ARG 33 1HG ARG 33 44.500 9.327 5.170
212 1HD ARG 33 2HD ARG 33 42.920 11.385 6.722
213 2HD ARG 33 1HD ARG 33 42.248 10.459 5.379
214 HE ARG 33 HE ARG 33 43.151 8.492 6.936
215 1HH1 ARG 33 1HH1 ARG 33 41.337 11.359 7.803
216 2HH1 ARG 33 2HH1 ARG 33 40.521 10.590 9.120
217 1HH2 ARG 33 1HH2 ARG 33 42.100 7.469 8.649
218 2HH2 ARG 33 2HH2 ARG 33 40.973 8.372 9.626
219 H SER 34 H SER 34 48.054 7.841 6.942
220 HA SER 34 HA SER 34 49.959 8.690 8.677
221 1HB SER 34 2HB SER 34 48.069 9.536 10.097
222 2HB SER 34 1HB SER 34 47.440 7.891 10.187
223 HG SER 34 HG SER 34 49.449 7.299 11.172
224 H ASP 35 H ASP 35 49.373 6.756 6.624
225 HA ASP 35 HA ASP 35 48.881 4.169 7.775
226 1HB ASP 35 2HB ASP 35 49.551 3.212 5.671
227 2HB ASP 35 1HB ASP 35 48.509 4.598 5.406
228 H GLU 36 H GLU 36 51.292 5.937 8.663
229 HA GLU 36 HA GLU 36 53.313 3.805 8.763
230 1HB GLU 36 2HB GLU 36 53.366 6.776 9.093
231 2HB GLU 36 1HB GLU 36 54.579 5.814 9.926
232 1HG GLU 36 2HG GLU 36 54.068 5.634 6.976
233 2HG GLU 36 1HG GLU 36 55.261 6.715 7.698
234 H SER 37 H SER 37 50.694 4.634 10.387
235 HA SER 37 HA SER 37 51.714 3.635 12.908
236 1HB SER 37 2HB SER 37 50.264 6.289 12.707
237 2HB SER 37 1HB SER 37 50.665 5.456 14.209
238 HG SER 37 HG SER 37 52.848 5.691 12.641
239 H ALA 38 H ALA 38 50.142 2.686 14.177
240 HA ALA 38 HA ALA 38 48.243 1.626 14.711
241 1HB ALA 38 1HB ALA 38 47.126 3.813 14.456
242 2HB ALA 38 2HB ALA 38 46.076 2.459 14.039
243 3HB ALA 38 3HB ALA 38 46.816 3.424 12.763
244 H SER 39 H SER 39 49.519 1.652 11.673
245 HA SER 39 HA SER 39 48.171 -0.873 11.048
246 1HB SER 39 2HB SER 39 49.488 -0.585 8.849
247 2HB SER 39 1HB SER 39 48.169 0.556 9.127
248 HG SER 39 HG SER 39 50.323 1.425 8.439
249 H CYS 40 H CYS 40 51.411 0.489 10.607
250 HA CYS 40 HA CYS 40 52.576 -1.925 11.765
251 1HB CYS 40 2HB CYS 40 53.727 0.362 10.190
252 2HB CYS 40 1HB CYS 40 54.746 -0.821 11.013
253 H ALA 41 H ALA 41 53.805 -1.943 13.612
254 HA ALA 41 HA ALA 41 53.864 0.530 15.192
255 1HB ALA 41 1HB ALA 41 54.427 -0.924 17.084
256 2HB ALA 41 2HB ALA 41 54.438 -2.319 16.004
257 3HB ALA 41 3HB ALA 41 52.936 -1.442 16.293
258 H TYR 42 H TYR 42 55.635 -1.061 13.011
259 HA TYR 42 HA TYR 42 57.760 -1.161 12.321
260 1HB TYR 42 2HB TYR 42 57.467 1.514 13.511
261 2HB TYR 42 1HB TYR 42 59.128 0.977 13.258
262 HD1 TYR 42 HD1 TYR 42 55.870 0.946 11.411
263 HD2 TYR 42 HD2 TYR 42 60.091 1.499 11.219
264 HE1 TYR 42 HE1 TYR 42 55.693 1.456 9.006
265 HE2 TYR 42 HE2 TYR 42 59.917 2.006 8.828
266 HH TYR 42 HH TYR 42 57.053 2.765 7.322
267 HA PRO 43 HA PRO 43 59.893 -2.919 15.924
268 1HB PRO 43 2HB PRO 43 60.015 -5.447 15.015
269 2HB PRO 43 1HB PRO 43 58.607 -4.853 15.902
270 1HG PRO 43 2HG PRO 43 58.968 -5.234 12.963
271 2HG PRO 43 1HG PRO 43 57.549 -5.566 13.973
272 1HD PRO 43 2HD PRO 43 57.866 -3.312 12.409
273 2HD PRO 43 1HD PRO 43 56.808 -3.410 13.828
274 H THR 44 H THR 44 60.081 -3.065 12.475
275 HA THR 44 HA THR 44 62.936 -2.559 12.572
276 HB THR 44 HB THR 44 63.169 -4.098 10.517
277 HG1 THR 44 HG1 THR 44 61.466 -5.943 11.253
278 1HG2 THR 44 1HG2 THR 44 63.640 -6.056 11.888
279 2HG2 THR 44 2HG2 THR 44 62.715 -5.362 13.219
280 3HG2 THR 44 3HG2 THR 44 64.210 -4.591 12.689
281 H CYS 45 H CYS 45 60.877 -3.420 9.911
282 HA CYS 45 HA CYS 45 60.477 -0.708 9.025
283 1HB CYS 45 2HB CYS 45 62.254 -2.561 7.434
284 2HB CYS 45 1HB CYS 45 61.540 -1.090 6.789
285 H PHE 46 H PHE 46 60.632 -3.961 7.687
286 HA PHE 46 HA PHE 46 58.635 -3.375 5.762
287 1HB PHE 46 2HB PHE 46 59.182 -5.367 4.777
288 2HB PHE 46 1HB PHE 46 60.639 -5.097 5.721
289 HD1 PHE 46 HD1 PHE 46 57.739 -7.165 5.202
290 HD2 PHE 46 HD2 PHE 46 61.007 -6.389 7.809
291 HE1 PHE 46 HE1 PHE 46 57.403 -9.360 6.245
292 HE2 PHE 46 HE2 PHE 46 60.686 -8.590 8.863
293 HZ PHE 46 HZ PHE 46 58.886 -10.082 8.082
294 HA PRO 47 HA PRO 47 55.136 -5.102 7.974
295 1HB PRO 47 2HB PRO 47 53.242 -4.261 6.315
296 2HB PRO 47 1HB PRO 47 54.088 -3.105 7.352
297 1HG PRO 47 2HG PRO 47 54.490 -3.692 4.445
298 2HG PRO 47 1HG PRO 47 54.490 -2.129 5.281
299 1HD PRO 47 2HD PRO 47 56.757 -3.575 4.581
300 2HD PRO 47 1HD PRO 47 56.704 -2.305 5.822
301 H LEU 48 H LEU 48 56.200 -5.510 4.725
302 HA LEU 48 HA LEU 48 55.074 -8.151 4.500
303 1HB LEU 48 2HB LEU 48 54.120 -5.855 2.775
304 2HB LEU 48 1HB LEU 48 53.986 -7.537 2.267
305 HG LEU 48 HG LEU 48 52.913 -7.403 4.877
306 1HD1 LEU 48 1HD1 LEU 48 51.106 -5.777 4.581
307 2HD1 LEU 48 2HD1 LEU 48 51.846 -5.227 3.078
308 3HD1 LEU 48 3HD1 LEU 48 52.689 -5.000 4.611
309 1HD2 LEU 48 1HD2 LEU 48 50.852 -8.076 3.745
310 2HD2 LEU 48 2HD2 LEU 48 52.249 -8.963 3.133
311 3HD2 LEU 48 3HD2 LEU 48 51.563 -7.639 2.190
312 H THR 49 H THR 49 56.346 -5.642 2.282
313 HA THR 49 HA THR 49 58.599 -7.353 1.640
314 HB THR 49 HB THR 49 58.216 -6.968 -0.829
315 HG1 THR 49 HG1 THR 49 56.255 -6.293 -1.532
316 1HG2 THR 49 1HG2 THR 49 56.153 -8.656 0.583
317 2HG2 THR 49 2HG2 THR 49 57.802 -9.150 0.199
318 3HG2 THR 49 3HG2 THR 49 56.654 -8.824 -1.100
319 H GLN 50 H GLN 50 59.913 -5.890 2.528
320 HA GLN 50 HA GLN 50 60.251 -3.325 1.159
321 1HB GLN 50 2HB GLN 50 60.255 -3.798 4.143
322 2HB GLN 50 1HB GLN 50 60.893 -2.345 3.396
323 1HG GLN 50 2HG GLN 50 58.059 -3.239 3.002
324 2HG GLN 50 1HG GLN 50 58.560 -2.232 4.360
325 1HE2 GLN 50 1HE2 GLN 50 59.288 -0.141 3.970
326 2HE2 GLN 50 2HE2 GLN 50 58.943 0.690 2.498
327 H PHE 51 H PHE 51 62.385 -2.544 1.163
328 HA PHE 51 HA PHE 51 64.471 -4.450 2.000
329 1HB PHE 51 2HB PHE 51 64.419 -3.784 -0.418
330 2HB PHE 51 1HB PHE 51 64.648 -2.115 0.065
331 HD1 PHE 51 HD1 PHE 51 66.829 -1.580 1.366
332 HD2 PHE 51 HD2 PHE 51 66.244 -5.121 -0.908
333 HE1 PHE 51 HE1 PHE 51 69.260 -1.865 1.202
334 HE2 PHE 51 HE2 PHE 51 68.669 -5.417 -1.077
335 HZ PHE 51 HZ PHE 51 70.189 -3.793 -0.021
336 H THR 52 H THR 52 66.172 -3.599 3.327
337 HA THR 52 HA THR 52 65.510 -1.029 4.580
338 HB THR 52 HB THR 52 67.134 -3.292 5.764
339 HG1 THR 52 HG1 THR 52 64.441 -2.959 5.501
340 1HG2 THR 52 1HG2 THR 52 67.608 -1.068 6.702
341 2HG2 THR 52 2HG2 THR 52 66.797 -2.108 7.872
342 3HG2 THR 52 3HG2 THR 52 65.889 -0.849 7.036
343 H CYS 53 H CYS 53 66.724 0.482 3.522
344 HA CYS 53 HA CYS 53 69.295 0.201 2.500
345 1HB CYS 53 2HB CYS 53 68.050 2.588 3.851
346 2HB CYS 53 1HB CYS 53 69.561 2.651 2.954
347 H ASN 54 H ASN 54 71.297 0.052 3.310
348 HA ASN 54 HA ASN 54 71.675 -0.945 5.866
349 1HB ASN 54 2HB ASN 54 74.150 -0.494 5.406
350 2HB ASN 54 1HB ASN 54 73.286 -1.561 4.306
351 1HD2 ASN 54 1HD2 ASN 54 73.142 -1.054 2.215
352 2HD2 ASN 54 2HD2 ASN 54 73.842 0.361 1.501
353 H ASN 55 H ASN 55 71.733 2.387 4.837
354 HA ASN 55 HA ASN 55 73.143 3.284 7.144
355 1HB ASN 55 2HB ASN 55 72.019 4.517 4.742
356 2HB ASN 55 1HB ASN 55 71.948 5.536 6.175
357 1HD2 ASN 55 1HD2 ASN 55 74.053 3.800 3.997
358 2HD2 ASN 55 2HD2 ASN 55 75.494 4.654 4.412
359 H GLY 56 H GLY 56 70.191 1.981 7.003
360 1HA GLY 56 2HA GLY 56 69.052 1.760 9.108
361 2HA GLY 56 1HA GLY 56 69.454 3.436 9.454
362 H ARG 57 H ARG 57 68.493 3.147 6.281
363 HA ARG 57 HA ARG 57 65.887 4.275 6.936
364 1HB ARG 57 2HB ARG 57 67.254 4.051 4.245
365 2HB ARG 57 1HB ARG 57 65.736 4.869 4.548
366 1HG ARG 57 2HG ARG 57 67.424 6.513 4.350
367 2HG ARG 57 1HG ARG 57 66.969 6.428 6.051
368 1HD ARG 57 2HD ARG 57 68.966 5.517 6.679
369 2HD ARG 57 1HD ARG 57 69.214 4.719 5.129
370 HE ARG 57 HE ARG 57 70.022 6.769 4.234
371 1HH1 ARG 57 1HH1 ARG 57 69.466 6.860 7.695
372 2HH1 ARG 57 2HH1 ARG 57 70.587 8.148 7.967
373 1HH2 ARG 57 1HH2 ARG 57 71.534 8.402 4.582
374 2HH2 ARG 57 2HH2 ARG 57 71.763 9.047 6.184
375 H CYS 58 H CYS 58 63.971 3.462 6.008
376 HA CYS 58 HA CYS 58 64.125 0.664 5.118
377 1HB CYS 58 2HB CYS 58 61.652 2.146 6.029
378 2HB CYS 58 1HB CYS 58 61.894 0.408 5.921
379 H ILE 59 H ILE 59 63.438 0.186 3.047
380 HA ILE 59 HA ILE 59 62.060 2.310 1.599
381 HB ILE 59 HB ILE 59 63.332 1.712 -0.470
382 1HG1 ILE 59 2HG1 ILE 59 65.325 0.485 1.433
383 2HG1 ILE 59 1HG1 ILE 59 64.163 -0.477 0.528
384 1HG2 ILE 59 1HG2 ILE 59 63.770 3.735 0.778
385 2HG2 ILE 59 2HG2 ILE 59 65.266 3.077 0.113
386 3HG2 ILE 59 3HG2 ILE 59 64.891 2.870 1.825
387 1HD1 ILE 59 1HD1 ILE 59 65.106 0.320 -1.564
388 2HD1 ILE 59 2HD1 ILE 59 66.342 -0.436 -0.558
389 3HD1 ILE 59 3HD1 ILE 59 66.260 1.322 -0.677
390 H ASN 60 H ASN 60 60.968 1.527 -0.399
391 HA ASN 60 HA ASN 60 59.458 -0.812 0.119
392 1HB ASN 60 2HB ASN 60 59.777 0.722 -2.467
393 2HB ASN 60 1HB ASN 60 58.579 -0.530 -2.186
394 1HD2 ASN 60 1HD2 ASN 60 57.990 0.310 0.530
395 2HD2 ASN 60 2HD2 ASN 60 57.113 1.799 0.402
396 H ILE 61 H ILE 61 59.461 -2.834 -0.930
397 HA ILE 61 HA ILE 61 61.997 -3.816 -1.787
398 HB ILE 61 HB ILE 61 60.042 -5.150 -0.726
399 1HG1 ILE 61 2HG1 ILE 61 60.794 -7.224 -1.901
400 2HG1 ILE 61 1HG1 ILE 61 61.624 -6.210 -3.075
401 1HG2 ILE 61 1HG2 ILE 61 58.642 -6.326 -2.414
402 2HG2 ILE 61 2HG2 ILE 61 59.235 -5.198 -3.630
403 3HG2 ILE 61 3HG2 ILE 61 58.287 -4.604 -2.266
404 1HD1 ILE 61 1HD1 ILE 61 63.182 -7.047 -1.439
405 2HD1 ILE 61 2HD1 ILE 61 62.215 -6.362 -0.133
406 3HD1 ILE 61 3HD1 ILE 61 63.022 -5.299 -1.287
407 H ASN 62 H ASN 62 59.903 -1.817 -3.261
408 HA ASN 62 HA ASN 62 59.920 -3.031 -5.928
409 1HB ASN 62 2HB ASN 62 58.334 -0.724 -4.778
410 2HB ASN 62 1HB ASN 62 58.169 -1.341 -6.419
411 1HD2 ASN 62 1HD2 ASN 62 56.452 -1.231 -3.869
412 2HD2 ASN 62 2HD2 ASN 62 55.796 -2.829 -3.765
413 H TRP 63 H TRP 63 62.165 -1.466 -4.549
414 HA TRP 63 HA TRP 63 62.461 0.707 -6.517
415 1HB TRP 63 2HB TRP 63 63.784 0.252 -3.832
416 2HB TRP 63 1HB TRP 63 64.285 1.512 -4.954
417 HD1 TRP 63 HD1 TRP 63 60.546 0.880 -4.595
418 HE1 TRP 63 HE1 TRP 63 59.470 2.874 -3.365
419 HE3 TRP 63 HE3 TRP 63 64.797 3.345 -3.164
420 HZ2 TRP 63 HZ2 TRP 63 60.307 5.177 -1.988
421 HZ3 TRP 63 HZ3 TRP 63 64.563 5.445 -1.893
422 HH2 TRP 63 HH2 TRP 63 62.367 6.337 -1.319
423 H ARG 64 H ARG 64 63.010 -2.295 -6.596
424 HA ARG 64 HA ARG 64 65.732 -2.773 -7.053
425 1HB ARG 64 2HB ARG 64 63.331 -4.022 -8.413
426 2HB ARG 64 1HB ARG 64 64.966 -4.660 -8.467
427 1HG ARG 64 2HG ARG 64 63.508 -4.276 -5.874
428 2HG ARG 64 1HG ARG 64 63.316 -5.732 -6.848
429 1HD ARG 64 2HD ARG 64 65.738 -6.123 -6.724
430 2HD ARG 64 1HD ARG 64 65.922 -4.673 -5.735
431 HE ARG 64 HE ARG 64 64.229 -5.996 -4.232
432 1HH1 ARG 64 1HH1 ARG 64 66.930 -7.313 -6.036
433 2HH1 ARG 64 2HH1 ARG 64 67.369 -8.443 -4.792
434 1HH2 ARG 64 1HH2 ARG 64 64.780 -7.530 -2.623
435 2HH2 ARG 64 2HH2 ARG 64 66.138 -8.574 -2.864
436 H CYS 65 H CYS 65 66.615 -0.988 -8.200
437 HA CYS 65 HA CYS 65 65.613 -0.358 -10.826
438 1HB CYS 65 2HB CYS 65 68.095 0.528 -9.356
439 2HB CYS 65 1HB CYS 65 67.635 1.118 -10.947
440 H ASP 66 H ASP 66 68.322 -2.019 -9.417
441 HA ASP 66 HA ASP 66 69.128 -2.938 -12.094
442 1HB ASP 66 2HB ASP 66 70.946 -2.367 -9.739
443 2HB ASP 66 1HB ASP 66 71.440 -2.831 -11.366
444 H ASN 67 H ASN 67 69.819 -3.748 -8.677
445 HA ASN 67 HA ASN 67 69.307 -6.544 -9.358
446 1HB ASN 67 2HB ASN 67 71.661 -6.431 -9.178
447 2HB ASN 67 1HB ASN 67 71.582 -5.366 -7.781
448 1HD2 ASN 67 1HD2 ASN 67 71.426 -6.192 -5.795
449 2HD2 ASN 67 2HD2 ASN 67 71.417 -7.884 -5.433
450 H ASP 68 H ASP 68 69.984 -4.696 -6.418
451 HA ASP 68 HA ASP 68 67.562 -5.835 -5.199
452 1HB ASP 68 2HB ASP 68 70.266 -5.293 -4.177
453 2HB ASP 68 1HB ASP 68 68.981 -4.709 -3.124
454 H ASN 69 H ASN 69 67.763 -3.761 -3.047
455 HA ASN 69 HA ASN 69 66.561 -1.578 -4.631
456 1HB ASN 69 2HB ASN 69 65.897 -2.320 -1.779
457 2HB ASN 69 1HB ASN 69 65.074 -1.135 -2.780
458 1HD2 ASN 69 1HD2 ASN 69 63.798 -1.860 -4.485
459 2HD2 ASN 69 2HD2 ASN 69 63.121 -3.456 -4.481
460 H ASP 70 H ASP 70 67.087 0.546 -4.143
461 HA ASP 70 HA ASP 70 68.758 1.004 -1.779
462 1HB ASP 70 2HB ASP 70 70.454 2.014 -2.899
463 2HB ASP 70 1HB ASP 70 69.939 0.907 -4.160
464 H CYS 71 H CYS 71 69.104 3.725 -1.988
465 HA CYS 71 HA CYS 71 66.453 4.865 -2.289
466 1HB CYS 71 2HB CYS 71 66.674 5.820 0.095
467 2HB CYS 71 1HB CYS 71 66.124 4.161 -0.098
468 H GLY 72 H GLY 72 69.357 5.843 -0.453
469 1HA GLY 72 2HA GLY 72 70.186 7.639 -2.539
470 2HA GLY 72 1HA GLY 72 69.455 8.467 -1.175
471 H ASP 73 H ASP 73 71.079 5.628 -0.269
472 HA ASP 73 HA ASP 73 73.383 7.236 0.591
473 1HB ASP 73 2HB ASP 73 72.577 4.551 1.721
474 2HB ASP 73 1HB ASP 73 73.671 5.738 2.420
475 H ASN 74 H ASN 74 72.892 3.776 0.213
476 HA ASN 74 HA ASN 74 74.211 3.293 -2.157
477 1HB ASN 74 2HB ASN 74 76.174 4.265 -0.769
478 2HB ASN 74 1HB ASN 74 76.100 2.762 0.141
479 1HD2 ASN 74 1HD2 ASN 74 75.449 1.103 -2.170
480 2HD2 ASN 74 2HD2 ASN 74 76.889 1.006 -3.114
481 H SER 75 H SER 75 72.175 2.024 -1.708
482 HA SER 75 HA SER 75 72.568 -0.209 0.089
483 1HB SER 75 2HB SER 75 70.091 0.457 -1.474
484 2HB SER 75 1HB SER 75 70.224 -0.665 -0.118
485 HG SER 75 HG SER 75 69.432 1.598 0.270
486 H ASP 76 H ASP 76 70.729 -0.465 -2.857
487 HA ASP 76 HA ASP 76 71.895 -2.925 -3.572
488 1HB ASP 76 2HB ASP 76 69.691 -2.290 -4.386
489 2HB ASP 76 1HB ASP 76 70.397 -0.968 -5.318
490 H GLU 77 H GLU 77 72.173 0.279 -5.070
491 HA GLU 77 HA GLU 77 74.924 -0.261 -5.822
492 1HB GLU 77 2HB GLU 77 74.657 -0.073 -8.130
493 2HB GLU 77 1HB GLU 77 73.293 -1.059 -7.643
494 1HG GLU 77 2HG GLU 77 73.280 1.837 -8.452
495 2HG GLU 77 1HG GLU 77 72.522 0.477 -9.271
496 H ALA 78 H ALA 78 72.298 1.969 -5.523
497 HA ALA 78 HA ALA 78 72.181 4.140 -4.919
498 1HB ALA 78 1HB ALA 78 74.024 3.682 -3.360
499 2HB ALA 78 2HB ALA 78 74.080 5.319 -4.013
500 3HB ALA 78 3HB ALA 78 75.180 4.086 -4.631
501 H GLY 79 H GLY 79 71.732 3.850 -7.402
502 1HA GLY 79 2HA GLY 79 72.083 6.242 -8.599
503 2HA GLY 79 1HA GLY 79 73.562 5.400 -9.036
504 H CYS 80 H CYS 80 70.042 4.820 -8.968
505 HA CYS 80 HA CYS 80 69.856 2.875 -10.908
506 1HB CYS 80 2HB CYS 80 67.882 5.142 -10.566
507 2HB CYS 80 1HB CYS 80 67.549 3.553 -11.237
508 H SER 81 H SER 81 70.605 6.222 -11.336
509 HA SER 81 HA SER 81 71.125 5.779 -14.136
510 1HB SER 81 2HB SER 81 69.155 7.920 -13.292
511 2HB SER 81 1HB SER 81 69.786 7.695 -14.923
512 HG SER 81 HG SER 81 68.827 5.358 -14.150
513 H HIS 82 HN HIS 82 70.766 8.313 -11.670
514 HA HIS 82 HA HIS 82 73.555 8.921 -11.747
515 1HB HIS 82 2HB HIS 82 73.168 11.375 -12.270
516 2HB HIS 82 1HB HIS 82 73.043 10.275 -13.634
517 HD1 HIS 82 HD1 HIS 82 70.344 11.260 -11.114
518 HD2 HIS 82 HD2 HIS 82 71.170 11.405 -15.188
519 HE1 HIS 82 HE1 HIS 82 68.293 12.254 -12.227
Start of MODEL 11
1 1H SER 1 1HT SER 1 34.418 0.493 -11.067
2 2H SER 1 2HT SER 1 35.114 -0.983 -10.623
3 3H SER 1 3HT SER 1 36.070 0.412 -10.699
4 HA SER 1 HA SER 1 34.987 1.368 -8.847
5 1HB SER 1 2HB SER 1 33.227 -1.097 -8.831
6 2HB SER 1 1HB SER 1 33.116 0.283 -7.737
7 HG SER 1 HG SER 1 31.619 0.238 -9.601
8 H ALA 2 H ALA 2 35.783 0.967 -6.759
9 HA ALA 2 HA ALA 2 36.760 -1.670 -6.080
10 1HB ALA 2 1HB ALA 2 38.683 0.637 -6.387
11 2HB ALA 2 2HB ALA 2 38.611 -0.793 -7.416
12 3HB ALA 2 3HB ALA 2 39.072 -0.951 -5.722
13 H ARG 3 H ARG 3 37.706 -1.675 -3.862
14 HA ARG 3 HA ARG 3 37.021 0.633 -2.223
15 1HB ARG 3 2HB ARG 3 35.677 -2.001 -2.071
16 2HB ARG 3 1HB ARG 3 36.165 -1.297 -0.534
17 1HG ARG 3 2HG ARG 3 34.923 0.759 -1.136
18 2HG ARG 3 1HG ARG 3 34.366 -0.052 -2.603
19 1HD ARG 3 2HD ARG 3 33.199 -1.700 -1.333
20 2HD ARG 3 1HD ARG 3 33.916 -1.128 0.172
21 HE ARG 3 HE ARG 3 32.522 0.999 -0.974
22 1HH1 ARG 3 1HH1 ARG 3 31.843 -2.141 0.405
23 2HH1 ARG 3 2HH1 ARG 3 30.279 -1.693 0.999
24 1HH2 ARG 3 1HH2 ARG 3 30.454 1.609 -0.187
25 2HH2 ARG 3 2HH2 ARG 3 29.487 0.451 0.664
26 H THR 4 H THR 4 38.556 -2.538 -2.462
27 HA THR 4 HA THR 4 40.440 -1.696 -0.369
28 HB THR 4 HB THR 4 40.998 -4.173 -0.259
29 HG1 THR 4 HG1 THR 4 40.093 -5.192 -1.915
30 1HG2 THR 4 1HG2 THR 4 39.649 -3.074 1.453
31 2HG2 THR 4 2HG2 THR 4 39.046 -4.701 1.140
32 3HG2 THR 4 3HG2 THR 4 38.197 -3.303 0.479
33 H CYS 5 H CYS 5 40.225 -1.580 -3.543
34 HA CYS 5 HA CYS 5 41.695 -1.347 -5.250
35 1HB CYS 5 2HB CYS 5 43.196 -0.788 -2.962
36 2HB CYS 5 1HB CYS 5 44.180 -1.946 -3.853
37 HA PRO 6 HA PRO 6 42.548 -5.465 -6.671
38 1HB PRO 6 2HB PRO 6 44.586 -5.140 -8.425
39 2HB PRO 6 1HB PRO 6 42.942 -4.589 -8.765
40 1HG PRO 6 2HG PRO 6 45.307 -3.024 -7.812
41 2HG PRO 6 1HG PRO 6 44.102 -2.596 -9.041
42 1HD PRO 6 2HD PRO 6 44.030 -1.647 -6.500
43 2HD PRO 6 1HD PRO 6 42.570 -1.905 -7.475
44 HA PRO 7 HA PRO 7 45.815 -7.605 -4.519
45 1HB PRO 7 2HB PRO 7 46.772 -8.610 -7.162
46 2HB PRO 7 1HB PRO 7 46.410 -9.505 -5.681
47 1HG PRO 7 2HG PRO 7 44.712 -9.540 -7.728
48 2HG PRO 7 1HG PRO 7 44.118 -9.461 -6.059
49 1HD PRO 7 2HD PRO 7 44.273 -7.313 -8.122
50 2HD PRO 7 1HD PRO 7 43.055 -7.581 -6.860
51 H ASN 8 H ASN 8 47.806 -7.119 -3.845
52 HA ASN 8 HA ASN 8 49.889 -6.235 -3.684
53 1HB ASN 8 2HB ASN 8 50.120 -7.361 -6.008
54 2HB ASN 8 1HB ASN 8 49.957 -5.730 -6.650
55 1HD2 ASN 8 1HD2 ASN 8 51.623 -4.252 -6.347
56 2HD2 ASN 8 2HD2 ASN 8 53.189 -4.727 -5.790
57 H GLN 9 H GLN 9 47.306 -4.677 -3.907
58 HA GLN 9 HA GLN 9 48.561 -2.033 -4.133
59 1HB GLN 9 2HB GLN 9 46.266 -3.059 -5.562
60 2HB GLN 9 1HB GLN 9 45.812 -1.681 -4.572
61 1HG GLN 9 2HG GLN 9 46.383 -0.886 -6.727
62 2HG GLN 9 1HG GLN 9 47.648 -0.395 -5.606
63 1HE2 GLN 9 1HE2 GLN 9 47.337 -3.637 -6.855
64 2HE2 GLN 9 2HE2 GLN 9 48.756 -3.610 -7.825
65 H PHE 10 H PHE 10 46.832 -0.404 -3.127
66 HA PHE 10 HA PHE 10 45.637 -1.422 -0.686
67 1HB PHE 10 2HB PHE 10 47.941 -1.111 0.008
68 2HB PHE 10 1HB PHE 10 47.980 0.499 -0.695
69 HD1 PHE 10 HD1 PHE 10 47.397 2.354 0.554
70 HD2 PHE 10 HD2 PHE 10 46.390 -1.521 1.986
71 HE1 PHE 10 HE1 PHE 10 46.706 3.332 2.696
72 HE2 PHE 10 HE2 PHE 10 45.706 -0.548 4.150
73 HZ PHE 10 HZ PHE 10 45.863 1.888 4.501
74 H SER 11 H SER 11 43.976 -0.090 -0.031
75 HA SER 11 HA SER 11 43.481 2.201 -1.726
76 1HB SER 11 2HB SER 11 41.614 0.379 -0.247
77 2HB SER 11 1HB SER 11 41.088 1.957 -0.833
78 HG SER 11 HG SER 11 41.780 1.278 -2.931
79 H CYS 12 H CYS 12 43.971 4.047 -0.907
80 HA CYS 12 HA CYS 12 44.194 4.774 1.761
81 1HB CYS 12 2HB CYS 12 45.061 6.129 -0.097
82 2HB CYS 12 1HB CYS 12 43.417 6.479 -0.613
83 H ALA 13 H ALA 13 42.782 5.690 3.211
84 HA ALA 13 HA ALA 13 40.580 4.472 3.869
85 1HB ALA 13 1HB ALA 13 40.810 7.458 4.117
86 2HB ALA 13 2HB ALA 13 41.574 6.275 5.181
87 3HB ALA 13 3HB ALA 13 39.815 6.398 5.115
88 H SER 14 H SER 14 39.175 3.746 2.437
89 HA SER 14 HA SER 14 37.376 3.643 1.061
90 1HB SER 14 2HB SER 14 36.506 5.892 2.875
91 2HB SER 14 1HB SER 14 35.438 4.882 1.904
92 HG SER 14 HG SER 14 36.791 4.307 4.254
93 H GLY 15 H GLY 15 38.647 4.443 -0.814
94 1HA GLY 15 2HA GLY 15 37.112 5.717 -2.555
95 2HA GLY 15 1HA GLY 15 37.779 7.091 -1.691
96 H ARG 16 H ARG 16 40.418 6.130 -1.321
97 HA ARG 16 HA ARG 16 41.297 6.708 -4.041
98 1HB ARG 16 2HB ARG 16 42.887 6.782 -1.470
99 2HB ARG 16 1HB ARG 16 43.429 7.348 -3.040
100 1HG ARG 16 2HG ARG 16 42.851 9.290 -1.884
101 2HG ARG 16 1HG ARG 16 41.473 8.989 -2.941
102 1HD ARG 16 2HD ARG 16 40.297 7.923 -1.034
103 2HD ARG 16 1HD ARG 16 41.658 8.334 0.008
104 HE ARG 16 HE ARG 16 40.953 10.727 -1.021
105 1HH1 ARG 16 1HH1 ARG 16 39.116 8.204 0.586
106 2HH1 ARG 16 2HH1 ARG 16 37.938 9.300 1.218
107 1HH2 ARG 16 1HH2 ARG 16 39.392 12.174 -0.179
108 2HH2 ARG 16 2HH2 ARG 16 38.097 11.548 0.794
109 H CYS 17 H CYS 17 43.652 5.668 -4.425
110 HA CYS 17 HA CYS 17 43.768 2.908 -3.630
111 1HB CYS 17 2HB CYS 17 42.239 3.604 -5.923
112 2HB CYS 17 1HB CYS 17 43.721 2.842 -6.494
113 H ILE 18 H ILE 18 45.838 2.762 -3.217
114 HA ILE 18 HA ILE 18 47.766 3.888 -5.139
115 HB ILE 18 HB ILE 18 49.210 4.446 -3.322
116 1HG1 ILE 18 2HG1 ILE 18 47.320 3.130 -1.384
117 2HG1 ILE 18 1HG1 ILE 18 48.654 2.246 -2.124
118 1HG2 ILE 18 1HG2 ILE 18 47.312 5.990 -3.563
119 2HG2 ILE 18 2HG2 ILE 18 47.830 5.878 -1.880
120 3HG2 ILE 18 3HG2 ILE 18 46.379 5.022 -2.415
121 1HD1 ILE 18 1HD1 ILE 18 50.248 3.761 -1.139
122 2HD1 ILE 18 2HD1 ILE 18 49.193 3.092 0.108
123 3HD1 ILE 18 3HD1 ILE 18 48.938 4.738 -0.470
124 HA PRO 19 HA PRO 19 49.429 -0.301 -5.131
125 1HB PRO 19 2HB PRO 19 52.190 0.563 -5.212
126 2HB PRO 19 1HB PRO 19 51.200 -0.091 -6.519
127 1HG PRO 19 2HG PRO 19 52.077 2.499 -6.431
128 2HG PRO 19 1HG PRO 19 50.611 1.978 -7.281
129 1HD PRO 19 2HD PRO 19 50.885 3.282 -4.598
130 2HD PRO 19 1HD PRO 19 49.674 3.559 -5.871
131 H ILE 20 H ILE 20 50.701 -1.825 -3.876
132 HA ILE 20 HA ILE 20 50.907 -1.081 -1.108
133 HB ILE 20 HB ILE 20 50.228 -3.386 -2.173
134 1HG1 ILE 20 2HG1 ILE 20 50.835 -4.501 -0.058
135 2HG1 ILE 20 1HG1 ILE 20 51.914 -3.159 0.316
136 1HG2 ILE 20 1HG2 ILE 20 53.197 -3.740 -1.864
137 2HG2 ILE 20 2HG2 ILE 20 52.284 -3.810 -3.371
138 3HG2 ILE 20 3HG2 ILE 20 52.034 -5.039 -2.131
139 1HD1 ILE 20 1HD1 ILE 20 49.822 -2.954 1.520
140 2HD1 ILE 20 2HD1 ILE 20 48.925 -3.002 0.002
141 3HD1 ILE 20 3HD1 ILE 20 49.992 -1.643 0.352
142 H SER 21 H SER 21 52.976 -1.959 0.058
143 HA SER 21 HA SER 21 55.182 -1.717 0.511
144 1HB SER 21 2HB SER 21 55.557 -2.686 -1.801
145 2HB SER 21 1HB SER 21 55.644 -1.032 -2.403
146 HG SER 21 HG SER 21 57.473 -2.497 -0.925
147 H TRP 22 H TRP 22 53.031 0.485 -0.228
148 HA TRP 22 HA TRP 22 54.829 2.808 -0.056
149 1HB TRP 22 2HB TRP 22 51.912 2.601 -0.786
150 2HB TRP 22 1HB TRP 22 52.744 4.134 -0.559
151 HD1 TRP 22 HD1 TRP 22 53.865 1.008 -2.572
152 HE1 TRP 22 HE1 TRP 22 54.377 1.766 -4.957
153 HE3 TRP 22 HE3 TRP 22 52.600 5.940 -2.164
154 HZ2 TRP 22 HZ2 TRP 22 54.285 4.134 -6.490
155 HZ3 TRP 22 HZ3 TRP 22 52.845 7.385 -4.138
156 HH2 TRP 22 HH2 TRP 22 53.668 6.501 -6.254
157 H THR 23 H THR 23 52.510 1.047 1.770
158 HA THR 23 HA THR 23 51.418 3.174 3.221
159 HB THR 23 HB THR 23 50.393 1.471 4.641
160 HG1 THR 23 HG1 THR 23 51.385 -0.372 4.882
161 1HG2 THR 23 1HG2 THR 23 49.381 1.927 2.482
162 2HG2 THR 23 2HG2 THR 23 49.219 0.219 2.894
163 3HG2 THR 23 3HG2 THR 23 50.432 0.727 1.719
164 H CYS 24 H CYS 24 53.211 0.562 4.654
165 HA CYS 24 HA CYS 24 53.751 2.185 6.967
166 1HB CYS 24 2HB CYS 24 54.258 -0.737 6.484
167 2HB CYS 24 1HB CYS 24 54.232 0.084 8.041
168 H ASP 25 H ASP 25 55.571 3.514 6.071
169 HA ASP 25 HA ASP 25 58.020 2.073 6.585
170 1HB ASP 25 2HB ASP 25 59.152 3.117 4.514
171 2HB ASP 25 1HB ASP 25 58.205 1.650 4.330
172 H LEU 26 H LEU 26 57.684 5.287 4.974
173 HA LEU 26 HA LEU 26 58.786 6.416 7.434
174 1HB LEU 26 2HB LEU 26 60.335 6.184 4.885
175 2HB LEU 26 1HB LEU 26 60.661 7.492 6.007
176 HG LEU 26 HG LEU 26 60.822 4.546 6.672
177 1HD1 LEU 26 1HD1 LEU 26 62.994 6.589 6.206
178 2HD1 LEU 26 2HD1 LEU 26 62.592 5.237 5.145
179 3HD1 LEU 26 3HD1 LEU 26 63.237 4.933 6.759
180 1HD2 LEU 26 1HD2 LEU 26 61.866 5.325 8.748
181 2HD2 LEU 26 2HD2 LEU 26 60.203 5.893 8.596
182 3HD2 LEU 26 3HD2 LEU 26 61.545 6.994 8.281
183 H ASP 27 H ASP 27 57.328 7.131 4.245
184 HA ASP 27 HA ASP 27 57.197 9.888 5.243
185 1HB ASP 27 2HB ASP 27 57.411 10.799 2.977
186 2HB ASP 27 1HB ASP 27 58.831 9.913 3.501
187 H ASP 28 H ASP 28 55.625 9.914 2.253
188 HA ASP 28 HA ASP 28 53.259 10.400 3.958
189 1HB ASP 28 2HB ASP 28 54.483 12.448 3.307
190 2HB ASP 28 1HB ASP 28 54.189 12.061 1.617
191 H ASP 29 H ASP 29 52.182 8.473 3.376
192 HA ASP 29 HA ASP 29 50.765 8.827 0.825
193 1HB ASP 29 2HB ASP 29 51.731 6.388 2.179
194 2HB ASP 29 1HB ASP 29 50.084 6.298 1.559
195 H CYS 30 H CYS 30 48.830 6.724 2.043
196 HA CYS 30 HA CYS 30 47.692 7.914 4.303
197 1HB CYS 30 2HB CYS 30 45.664 8.887 3.375
198 2HB CYS 30 1HB CYS 30 47.083 9.709 2.744
199 H GLY 31 H GLY 31 47.552 5.819 5.019
200 1HA GLY 31 2HA GLY 31 45.578 4.073 3.798
201 2HA GLY 31 1HA GLY 31 46.340 3.855 5.380
202 H ASP 32 H ASP 32 45.929 6.331 6.396
203 HA ASP 32 HA ASP 32 43.270 7.311 5.977
204 1HB ASP 32 2HB ASP 32 42.733 5.475 7.561
205 2HB ASP 32 1HB ASP 32 43.881 6.148 8.714
206 H ARG 33 H ARG 33 44.928 8.834 5.358
207 HA ARG 33 HA ARG 33 46.132 10.717 5.545
208 1HB ARG 33 2HB ARG 33 45.486 12.306 7.045
209 2HB ARG 33 1HB ARG 33 44.127 11.204 7.190
210 1HG ARG 33 2HG ARG 33 45.679 10.185 9.098
211 2HG ARG 33 1HG ARG 33 46.271 11.849 9.120
212 1HD ARG 33 2HD ARG 33 44.468 11.625 10.703
213 2HD ARG 33 1HD ARG 33 43.937 12.636 9.360
214 HE ARG 33 HE ARG 33 43.226 9.769 9.608
215 1HH1 ARG 33 1HH1 ARG 33 42.396 13.078 8.805
216 2HH1 ARG 33 2HH1 ARG 33 40.755 12.687 8.381
217 1HH2 ARG 33 1HH2 ARG 33 41.106 9.243 9.036
218 2HH2 ARG 33 2HH2 ARG 33 40.027 10.499 8.496
219 H SER 34 H SER 34 46.500 8.449 8.185
220 HA SER 34 HA SER 34 49.383 8.685 7.857
221 1HB SER 34 2HB SER 34 48.041 8.713 10.573
222 2HB SER 34 1HB SER 34 49.778 8.731 10.267
223 HG SER 34 HG SER 34 48.864 10.722 8.881
224 H ASP 35 H ASP 35 49.059 6.729 6.705
225 HA ASP 35 HA ASP 35 48.340 4.331 8.192
226 1HB ASP 35 2HB ASP 35 49.186 3.154 6.118
227 2HB ASP 35 1HB ASP 35 47.793 4.203 5.898
228 H GLU 36 H GLU 36 50.317 5.967 9.248
229 HA GLU 36 HA GLU 36 52.797 4.439 8.896
230 1HB GLU 36 2HB GLU 36 52.176 7.254 9.602
231 2HB GLU 36 1HB GLU 36 53.558 6.528 10.411
232 1HG GLU 36 2HG GLU 36 53.182 6.589 7.431
233 2HG GLU 36 1HG GLU 36 54.137 7.758 8.347
234 H SER 37 H SER 37 52.777 2.805 10.202
235 HA SER 37 HA SER 37 52.938 1.567 12.088
236 1HB SER 37 2HB SER 37 52.980 4.246 13.497
237 2HB SER 37 1HB SER 37 53.380 2.697 14.241
238 HG SER 37 HG SER 37 54.719 3.854 12.013
239 H ALA 38 H ALA 38 50.313 2.860 11.053
240 HA ALA 38 HA ALA 38 48.646 2.448 13.411
241 1HB ALA 38 1HB ALA 38 46.827 3.376 12.077
242 2HB ALA 38 2HB ALA 38 47.879 3.421 10.662
243 3HB ALA 38 3HB ALA 38 48.226 4.448 12.054
244 H SER 39 H SER 39 50.073 0.422 11.627
245 HA SER 39 HA SER 39 48.026 -1.569 11.721
246 1HB SER 39 2HB SER 39 48.299 -2.126 9.240
247 2HB SER 39 1HB SER 39 47.356 -0.679 9.601
248 HG SER 39 HG SER 39 49.528 -0.876 8.100
249 H CYS 40 H CYS 40 51.131 -0.739 10.223
250 HA CYS 40 HA CYS 40 52.106 -3.447 10.713
251 1HB CYS 40 2HB CYS 40 53.594 -1.231 9.328
252 2HB CYS 40 1HB CYS 40 53.853 -2.966 9.195
253 H ALA 41 H ALA 41 53.351 -3.959 12.367
254 HA ALA 41 HA ALA 41 54.710 -1.876 13.887
255 1HB ALA 41 1HB ALA 41 55.322 -3.666 15.424
256 2HB ALA 41 2HB ALA 41 54.645 -4.866 14.323
257 3HB ALA 41 3HB ALA 41 53.587 -3.692 15.109
258 H TYR 42 H TYR 42 56.301 -1.145 12.585
259 HA TYR 42 HA TYR 42 57.696 -2.559 10.648
260 1HB TYR 42 2HB TYR 42 58.814 -0.177 12.139
261 2HB TYR 42 1HB TYR 42 59.243 -0.705 10.522
262 HD1 TYR 42 HD1 TYR 42 58.717 2.003 10.595
263 HD2 TYR 42 HD2 TYR 42 55.847 -1.134 10.590
264 HE1 TYR 42 HE1 TYR 42 57.027 3.555 9.702
265 HE2 TYR 42 HE2 TYR 42 54.162 0.405 9.698
266 HH TYR 42 HH TYR 42 54.918 3.538 8.526
267 HA PRO 43 HA PRO 43 60.755 -4.587 13.296
268 1HB PRO 43 2HB PRO 43 61.099 -6.764 11.762
269 2HB PRO 43 1HB PRO 43 59.698 -6.594 12.822
270 1HG PRO 43 2HG PRO 43 59.883 -6.307 9.873
271 2HG PRO 43 1HG PRO 43 58.541 -6.895 10.866
272 1HD PRO 43 2HD PRO 43 58.810 -4.315 9.761
273 2HD PRO 43 1HD PRO 43 57.629 -4.824 10.984
274 H THR 44 H THR 44 60.658 -3.652 10.010
275 HA THR 44 HA THR 44 63.290 -2.663 9.906
276 HB THR 44 HB THR 44 63.886 -5.056 9.748
277 HG1 THR 44 HG1 THR 44 64.217 -3.433 7.447
278 1HG2 THR 44 1HG2 THR 44 62.187 -5.071 7.245
279 2HG2 THR 44 2HG2 THR 44 61.793 -5.884 8.759
280 3HG2 THR 44 3HG2 THR 44 63.196 -6.399 7.825
281 H CYS 45 H CYS 45 60.454 -2.065 9.308
282 HA CYS 45 HA CYS 45 59.064 -1.145 7.788
283 1HB CYS 45 2HB CYS 45 61.641 -0.742 6.275
284 2HB CYS 45 1HB CYS 45 60.087 -0.134 5.718
285 H PHE 46 H PHE 46 57.612 -2.199 6.683
286 HA PHE 46 HA PHE 46 58.135 -3.689 4.354
287 1HB PHE 46 2HB PHE 46 59.007 -5.277 6.107
288 2HB PHE 46 1HB PHE 46 57.373 -5.376 6.746
289 HD1 PHE 46 HD1 PHE 46 59.565 -6.237 3.937
290 HD2 PHE 46 HD2 PHE 46 55.683 -6.677 5.628
291 HE1 PHE 46 HE1 PHE 46 59.094 -8.071 2.374
292 HE2 PHE 46 HE2 PHE 46 55.206 -8.517 4.066
293 HZ PHE 46 HZ PHE 46 56.915 -9.216 2.436
294 HA PRO 47 HA PRO 47 53.708 -2.487 4.816
295 1HB PRO 47 2HB PRO 47 53.650 -0.818 2.713
296 2HB PRO 47 1HB PRO 47 54.151 -0.267 4.314
297 1HG PRO 47 2HG PRO 47 55.821 -0.984 1.953
298 2HG PRO 47 1HG PRO 47 56.018 0.349 3.104
299 1HD PRO 47 2HD PRO 47 57.438 -1.993 3.209
300 2HD PRO 47 1HD PRO 47 57.117 -0.957 4.612
301 H LEU 48 H LEU 48 54.716 -4.832 3.929
302 HA LEU 48 HA LEU 48 54.556 -6.524 2.454
303 1HB LEU 48 2HB LEU 48 52.680 -4.645 1.026
304 2HB LEU 48 1HB LEU 48 53.079 -6.240 0.415
305 HG LEU 48 HG LEU 48 52.243 -7.070 2.736
306 1HD1 LEU 48 1HD1 LEU 48 50.464 -5.673 3.681
307 2HD1 LEU 48 2HD1 LEU 48 50.886 -4.381 2.557
308 3HD1 LEU 48 3HD1 LEU 48 52.042 -4.891 3.788
309 1HD2 LEU 48 1HD2 LEU 48 51.193 -7.597 0.621
310 2HD2 LEU 48 2HD2 LEU 48 50.383 -6.030 0.610
311 3HD2 LEU 48 3HD2 LEU 48 49.967 -7.226 1.836
312 H THR 49 H THR 49 56.308 -7.011 1.436
313 HA THR 49 HA THR 49 57.963 -7.130 -0.066
314 HB THR 49 HB THR 49 57.579 -6.450 -2.354
315 HG1 THR 49 HG1 THR 49 55.902 -4.599 -1.183
316 1HG2 THR 49 1HG2 THR 49 54.989 -7.349 -1.095
317 2HG2 THR 49 2HG2 THR 49 56.333 -8.402 -1.542
318 3HG2 THR 49 3HG2 THR 49 55.439 -7.532 -2.790
319 H GLN 50 H GLN 50 59.430 -5.945 1.312
320 HA GLN 50 HA GLN 50 60.346 -3.510 0.045
321 1HB GLN 50 2HB GLN 50 59.034 -3.491 2.682
322 2HB GLN 50 1HB GLN 50 60.559 -2.619 2.599
323 1HG GLN 50 2HG GLN 50 59.342 -1.726 0.356
324 2HG GLN 50 1HG GLN 50 57.957 -2.013 1.408
325 1HE2 GLN 50 1HE2 GLN 50 57.643 0.282 1.271
326 2HE2 GLN 50 2HE2 GLN 50 58.532 1.332 2.318
327 H PHE 51 H PHE 51 62.261 -2.605 1.214
328 HA PHE 51 HA PHE 51 63.981 -4.566 2.539
329 1HB PHE 51 2HB PHE 51 64.412 -4.693 0.064
330 2HB PHE 51 1HB PHE 51 64.799 -2.977 0.077
331 HD1 PHE 51 HD1 PHE 51 65.876 -6.222 1.602
332 HD2 PHE 51 HD2 PHE 51 66.987 -2.309 0.369
333 HE1 PHE 51 HE1 PHE 51 68.235 -6.733 2.077
334 HE2 PHE 51 HE2 PHE 51 69.319 -2.788 0.859
335 HZ PHE 51 HZ PHE 51 69.965 -5.015 1.713
336 H THR 52 H THR 52 66.173 -3.162 3.089
337 HA THR 52 HA THR 52 65.366 -0.407 3.650
338 HB THR 52 HB THR 52 64.880 -1.626 5.701
339 HG1 THR 52 HG1 THR 52 66.160 0.532 5.601
340 1HG2 THR 52 1HG2 THR 52 67.794 -2.409 5.702
341 2HG2 THR 52 2HG2 THR 52 66.438 -3.502 5.424
342 3HG2 THR 52 3HG2 THR 52 66.641 -2.727 6.997
343 H CYS 53 H CYS 53 66.828 0.932 2.836
344 HA CYS 53 HA CYS 53 69.447 0.280 2.070
345 1HB CYS 53 2HB CYS 53 68.655 3.007 3.040
346 2HB CYS 53 1HB CYS 53 69.859 2.587 1.829
347 H ASN 54 H ASN 54 71.476 0.532 3.065
348 HA ASN 54 HA ASN 54 71.573 0.172 5.882
349 1HB ASN 54 2HB ASN 54 73.767 0.786 3.900
350 2HB ASN 54 1HB ASN 54 74.058 0.465 5.607
351 1HD2 ASN 54 1HD2 ASN 54 73.424 -0.871 2.532
352 2HD2 ASN 54 2HD2 ASN 54 73.415 -2.533 3.000
353 H ASN 55 H ASN 55 71.399 2.953 3.926
354 HA ASN 55 HA ASN 55 72.530 4.879 5.615
355 1HB ASN 55 2HB ASN 55 71.746 5.178 3.218
356 2HB ASN 55 1HB ASN 55 70.110 5.283 3.854
357 1HD2 ASN 55 1HD2 ASN 55 73.172 6.841 3.547
358 2HD2 ASN 55 2HD2 ASN 55 72.679 8.393 4.125
359 H GLY 56 H GLY 56 69.778 2.926 6.011
360 1HA GLY 56 2HA GLY 56 68.530 2.902 8.060
361 2HA GLY 56 1HA GLY 56 68.801 4.636 8.203
362 H ARG 57 H ARG 57 68.101 3.715 5.062
363 HA ARG 57 HA ARG 57 65.456 4.922 5.236
364 1HB ARG 57 2HB ARG 57 67.184 4.118 2.900
365 2HB ARG 57 1HB ARG 57 65.571 4.797 2.734
366 1HG ARG 57 2HG ARG 57 66.227 6.882 3.370
367 2HG ARG 57 1HG ARG 57 67.588 6.283 4.329
368 1HD ARG 57 2HD ARG 57 68.826 5.734 2.340
369 2HD ARG 57 1HD ARG 57 67.446 6.145 1.323
370 HE ARG 57 HE ARG 57 68.046 8.418 2.790
371 1HH1 ARG 57 1HH1 ARG 57 69.760 6.375 0.527
372 2HH1 ARG 57 2HH1 ARG 57 70.594 7.698 -0.239
373 1HH2 ARG 57 1HH2 ARG 57 69.185 10.166 1.813
374 2HH2 ARG 57 2HH2 ARG 57 70.272 9.847 0.504
375 H CYS 58 H CYS 58 63.599 3.922 4.343
376 HA CYS 58 HA CYS 58 63.777 0.999 4.136
377 1HB CYS 58 2HB CYS 58 61.316 2.698 4.602
378 2HB CYS 58 1HB CYS 58 61.442 0.948 4.756
379 H ILE 59 H ILE 59 63.489 0.122 2.139
380 HA ILE 59 HA ILE 59 62.455 1.938 0.090
381 HB ILE 59 HB ILE 59 64.031 0.766 -1.521
382 1HG1 ILE 59 2HG1 ILE 59 65.451 0.157 1.082
383 2HG1 ILE 59 1HG1 ILE 59 64.761 -1.033 -0.018
384 1HG2 ILE 59 1HG2 ILE 59 64.241 3.069 -0.967
385 2HG2 ILE 59 2HG2 ILE 59 65.849 2.337 -0.922
386 3HG2 ILE 59 3HG2 ILE 59 64.993 2.677 0.582
387 1HD1 ILE 59 1HD1 ILE 59 66.365 -0.554 -1.691
388 2HD1 ILE 59 2HD1 ILE 59 67.252 -0.707 -0.172
389 3HD1 ILE 59 3HD1 ILE 59 66.919 0.885 -0.841
390 H ASN 60 H ASN 60 61.688 0.925 -1.871
391 HA ASN 60 HA ASN 60 59.915 -1.233 -1.271
392 1HB ASN 60 2HB ASN 60 60.574 -0.048 -3.979
393 2HB ASN 60 1HB ASN 60 59.173 -1.031 -3.582
394 1HD2 ASN 60 1HD2 ASN 60 58.624 0.270 -1.061
395 2HD2 ASN 60 2HD2 ASN 60 58.010 1.842 -1.435
396 H ILE 61 H ILE 61 59.913 -3.311 -2.297
397 HA ILE 61 HA ILE 61 62.525 -4.442 -2.377
398 HB ILE 61 HB ILE 61 60.403 -5.580 -1.556
399 1HG1 ILE 61 2HG1 ILE 61 62.011 -7.161 -3.564
400 2HG1 ILE 61 1HG1 ILE 61 62.626 -6.692 -1.983
401 1HG2 ILE 61 1HG2 ILE 61 60.035 -5.981 -4.516
402 2HG2 ILE 61 2HG2 ILE 61 58.960 -5.111 -3.420
403 3HG2 ILE 61 3HG2 ILE 61 59.158 -6.857 -3.261
404 1HD1 ILE 61 1HD1 ILE 61 61.822 -8.983 -2.006
405 2HD1 ILE 61 2HD1 ILE 61 60.221 -8.423 -2.488
406 3HD1 ILE 61 3HD1 ILE 61 60.871 -7.981 -0.908
407 H ASN 62 H ASN 62 60.752 -2.830 -4.681
408 HA ASN 62 HA ASN 62 61.637 -4.382 -6.970
409 1HB ASN 62 2HB ASN 62 60.034 -1.824 -6.795
410 2HB ASN 62 1HB ASN 62 60.399 -2.671 -8.294
411 1HD2 ASN 62 1HD2 ASN 62 57.820 -2.061 -7.102
412 2HD2 ASN 62 2HD2 ASN 62 57.024 -3.576 -6.872
413 H TRP 63 H TRP 63 63.331 -2.617 -5.040
414 HA TRP 63 HA TRP 63 64.696 -1.026 -7.111
415 1HB TRP 63 2HB TRP 63 64.865 -0.854 -4.090
416 2HB TRP 63 1HB TRP 63 65.779 0.151 -5.207
417 HD1 TRP 63 HD1 TRP 63 62.020 -0.570 -5.674
418 HE1 TRP 63 HE1 TRP 63 60.730 1.649 -5.445
419 HE3 TRP 63 HE3 TRP 63 65.857 2.456 -4.205
420 HZ2 TRP 63 HZ2 TRP 63 61.267 4.315 -4.738
421 HZ3 TRP 63 HZ3 TRP 63 65.384 4.831 -3.766
422 HH2 TRP 63 HH2 TRP 63 63.138 5.736 -4.024
423 H ARG 64 H ARG 64 64.661 -3.936 -6.052
424 HA ARG 64 HA ARG 64 67.438 -4.592 -5.695
425 1HB ARG 64 2HB ARG 64 65.418 -5.943 -4.891
426 2HB ARG 64 1HB ARG 64 65.159 -6.389 -6.567
427 1HG ARG 64 2HG ARG 64 66.440 -8.151 -6.156
428 2HG ARG 64 1HG ARG 64 67.806 -7.031 -6.124
429 1HD ARG 64 2HD ARG 64 67.713 -8.472 -4.116
430 2HD ARG 64 1HD ARG 64 67.588 -6.756 -3.729
431 HE ARG 64 HE ARG 64 64.994 -7.655 -3.958
432 1HH1 ARG 64 1HH1 ARG 64 67.783 -8.475 -1.968
433 2HH1 ARG 64 2HH1 ARG 64 66.806 -8.946 -0.611
434 1HH2 ARG 64 1HH2 ARG 64 63.732 -8.287 -2.152
435 2HH2 ARG 64 2HH2 ARG 64 64.517 -8.844 -0.714
436 H CYS 65 H CYS 65 68.707 -3.994 -7.439
437 HA CYS 65 HA CYS 65 67.564 -4.458 -10.112
438 1HB CYS 65 2HB CYS 65 69.414 -2.215 -9.330
439 2HB CYS 65 1HB CYS 65 68.614 -2.432 -10.883
440 H ASP 66 H ASP 66 70.691 -3.673 -8.715
441 HA ASP 66 HA ASP 66 72.043 -4.837 -10.966
442 1HB ASP 66 2HB ASP 66 73.309 -3.722 -8.465
443 2HB ASP 66 1HB ASP 66 73.993 -3.804 -10.087
444 H ASN 67 H ASN 67 72.508 -5.277 -7.462
445 HA ASN 67 HA ASN 67 72.976 -8.109 -7.987
446 1HB ASN 67 2HB ASN 67 75.040 -7.250 -7.217
447 2HB ASN 67 1HB ASN 67 74.258 -6.248 -6.000
448 1HD2 ASN 67 1HD2 ASN 67 73.786 -7.069 -4.040
449 2HD2 ASN 67 2HD2 ASN 67 74.241 -8.668 -3.537
450 H ASP 68 H ASP 68 71.938 -5.849 -5.517
451 HA ASP 68 HA ASP 68 69.671 -7.589 -4.873
452 1HB ASP 68 2HB ASP 68 71.595 -7.873 -3.204
453 2HB ASP 68 1HB ASP 68 71.296 -6.208 -2.725
454 H ASN 69 H ASN 69 69.323 -5.418 -2.593
455 HA ASN 69 HA ASN 69 67.655 -3.797 -4.413
456 1HB ASN 69 2HB ASN 69 66.662 -5.431 -2.714
457 2HB ASN 69 1HB ASN 69 67.203 -4.310 -1.476
458 1HD2 ASN 69 1HD2 ASN 69 66.586 -1.887 -2.842
459 2HD2 ASN 69 2HD2 ASN 69 64.860 -1.782 -2.918
460 H ASP 70 H ASP 70 67.914 -1.632 -4.485
461 HA ASP 70 HA ASP 70 69.548 -0.379 -2.374
462 1HB ASP 70 2HB ASP 70 70.603 -0.999 -4.739
463 2HB ASP 70 1HB ASP 70 69.908 0.568 -5.143
464 H CYS 71 H CYS 71 69.767 2.133 -3.457
465 HA CYS 71 HA CYS 71 67.196 3.256 -4.034
466 1HB CYS 71 2HB CYS 71 67.152 4.569 -1.843
467 2HB CYS 71 1HB CYS 71 66.677 2.875 -1.764
468 H GLY 72 H GLY 72 70.209 4.143 -2.302
469 1HA GLY 72 2HA GLY 72 71.495 5.590 -4.190
470 2HA GLY 72 1HA GLY 72 70.263 6.709 -3.627
471 H ASP 73 H ASP 73 72.285 4.340 -1.903
472 HA ASP 73 HA ASP 73 73.948 6.447 -0.846
473 1HB ASP 73 2HB ASP 73 73.616 5.522 1.540
474 2HB ASP 73 1HB ASP 73 72.386 6.600 0.898
475 H ASN 74 H ASN 74 73.252 3.184 0.281
476 HA ASN 74 HA ASN 74 75.185 1.840 -1.226
477 1HB ASN 74 2HB ASN 74 76.656 3.200 0.422
478 2HB ASN 74 1HB ASN 74 76.030 2.121 1.662
479 1HD2 ASN 74 1HD2 ASN 74 75.967 -0.216 -0.128
480 2HD2 ASN 74 2HD2 ASN 74 77.612 -0.685 -0.348
481 H SER 75 H SER 75 72.770 1.179 -1.068
482 HA SER 75 HA SER 75 72.045 -0.269 1.298
483 1HB SER 75 2HB SER 75 70.380 1.007 -0.023
484 2HB SER 75 1HB SER 75 70.635 -0.111 -1.362
485 HG SER 75 HG SER 75 69.566 -1.644 -0.321
486 H ASP 76 H ASP 76 71.977 -1.259 -2.029
487 HA ASP 76 HA ASP 76 72.933 -3.920 -1.340
488 1HB ASP 76 2HB ASP 76 71.166 -3.941 -2.914
489 2HB ASP 76 1HB ASP 76 71.879 -2.630 -3.848
490 H GLU 77 H GLU 77 73.652 -1.300 -3.581
491 HA GLU 77 HA GLU 77 76.484 -1.447 -3.137
492 1HB GLU 77 2HB GLU 77 76.922 -1.845 -5.662
493 2HB GLU 77 1HB GLU 77 76.642 -3.214 -4.601
494 1HG GLU 77 2HG GLU 77 75.475 -3.553 -6.649
495 2HG GLU 77 1HG GLU 77 74.304 -3.286 -5.364
496 H ALA 78 H ALA 78 73.846 0.313 -3.828
497 HA ALA 78 HA ALA 78 73.566 2.536 -4.113
498 1HB ALA 78 1HB ALA 78 75.447 4.059 -4.203
499 2HB ALA 78 2HB ALA 78 76.552 2.711 -4.472
500 3HB ALA 78 3HB ALA 78 75.689 2.853 -2.940
501 H GLY 79 H GLY 79 73.615 0.544 -6.322
502 1HA GLY 79 2HA GLY 79 74.263 2.310 -8.587
503 2HA GLY 79 1HA GLY 79 74.018 0.572 -8.675
504 H CYS 80 H CYS 80 72.306 0.120 -9.824
505 HA CYS 80 HA CYS 80 70.322 0.319 -10.917
506 1HB CYS 80 2HB CYS 80 69.647 -0.439 -8.622
507 2HB CYS 80 1HB CYS 80 69.313 1.242 -8.216
508 H SER 81 H SER 81 72.009 2.703 -10.945
509 HA SER 81 HA SER 81 69.965 4.801 -11.202
510 1HB SER 81 2HB SER 81 72.944 5.087 -10.755
511 2HB SER 81 1HB SER 81 71.794 6.417 -10.886
512 HG SER 81 HG SER 81 71.542 4.362 -8.944
513 H HIS 82 HN HIS 82 70.972 2.667 -13.129
514 HA HIS 82 HA HIS 82 71.079 4.369 -15.445
515 1HB HIS 82 2HB HIS 82 73.468 4.288 -14.794
516 2HB HIS 82 1HB HIS 82 73.418 2.531 -14.838
517 HD1 HIS 82 HD1 HIS 82 72.777 1.547 -17.328
518 HD2 HIS 82 HD2 HIS 82 74.259 5.418 -17.080
519 HE1 HIS 82 HE1 HIS 82 73.653 2.120 -19.634
Start of MODEL 12
1 1H SER 1 1HT SER 1 41.150 -2.514 -7.257
2 2H SER 1 2HT SER 1 40.424 -3.393 -6.006
3 3H SER 1 3HT SER 1 39.501 -2.314 -6.923
4 HA SER 1 HA SER 1 39.735 -3.644 -8.874
5 1HB SER 1 2HB SER 1 41.314 -5.558 -7.139
6 2HB SER 1 1HB SER 1 40.980 -5.722 -8.864
7 HG SER 1 HG SER 1 42.740 -4.630 -9.159
8 H ALA 2 H ALA 2 39.723 -5.497 -5.824
9 HA ALA 2 HA ALA 2 36.998 -6.390 -6.351
10 1HB ALA 2 1HB ALA 2 38.606 -8.013 -5.455
11 2HB ALA 2 2HB ALA 2 37.296 -7.735 -4.308
12 3HB ALA 2 3HB ALA 2 38.870 -6.983 -4.049
13 H ARG 3 H ARG 3 36.694 -6.355 -3.249
14 HA ARG 3 HA ARG 3 35.466 -3.825 -2.964
15 1HB ARG 3 2HB ARG 3 34.937 -5.813 -1.547
16 2HB ARG 3 1HB ARG 3 36.501 -5.633 -0.767
17 1HG ARG 3 2HG ARG 3 34.768 -4.685 0.621
18 2HG ARG 3 1HG ARG 3 35.836 -3.404 0.034
19 1HD ARG 3 2HD ARG 3 34.212 -2.860 -1.716
20 2HD ARG 3 1HD ARG 3 33.149 -4.141 -1.132
21 HE ARG 3 HE ARG 3 33.526 -2.583 1.054
22 1HH1 ARG 3 1HH1 ARG 3 32.514 -1.929 -2.225
23 2HH1 ARG 3 2HH1 ARG 3 31.492 -0.600 -1.790
24 1HH2 ARG 3 1HH2 ARG 3 32.165 -0.827 1.650
25 2HH2 ARG 3 2HH2 ARG 3 31.286 0.025 0.426
26 H THR 4 H THR 4 38.675 -5.016 -2.528
27 HA THR 4 HA THR 4 39.623 -2.303 -1.952
28 HB THR 4 HB THR 4 41.448 -3.397 -0.563
29 HG1 THR 4 HG1 THR 4 40.964 -5.502 0.210
30 1HG2 THR 4 1HG2 THR 4 39.567 -2.213 0.469
31 2HG2 THR 4 2HG2 THR 4 40.063 -3.601 1.435
32 3HG2 THR 4 3HG2 THR 4 38.616 -3.697 0.433
33 H CYS 5 H CYS 5 42.401 -3.281 -1.949
34 HA CYS 5 HA CYS 5 42.757 -3.448 -4.826
35 1HB CYS 5 2HB CYS 5 44.658 -2.822 -2.560
36 2HB CYS 5 1HB CYS 5 45.140 -2.913 -4.255
37 HA PRO 6 HA PRO 6 44.182 -7.665 -5.064
38 1HB PRO 6 2HB PRO 6 46.813 -6.667 -6.040
39 2HB PRO 6 1HB PRO 6 45.711 -7.837 -6.774
40 1HG PRO 6 2HG PRO 6 45.905 -5.378 -7.759
41 2HG PRO 6 1HG PRO 6 44.331 -6.186 -7.649
42 1HD PRO 6 2HD PRO 6 45.490 -4.052 -5.910
43 2HD PRO 6 1HD PRO 6 43.821 -4.260 -6.479
44 HA PRO 7 HA PRO 7 46.468 -8.716 -1.440
45 1HB PRO 7 2HB PRO 7 47.822 -10.853 -2.988
46 2HB PRO 7 1HB PRO 7 46.829 -10.972 -1.531
47 1HG PRO 7 2HG PRO 7 45.881 -11.752 -3.901
48 2HG PRO 7 1HG PRO 7 44.838 -10.918 -2.732
49 1HD PRO 7 2HD PRO 7 46.175 -9.848 -5.186
50 2HD PRO 7 1HD PRO 7 44.543 -9.529 -4.562
51 H ASN 8 H ASN 8 48.302 -8.356 -4.419
52 HA ASN 8 HA ASN 8 50.746 -7.889 -2.894
53 1HB ASN 8 2HB ASN 8 51.932 -7.968 -4.985
54 2HB ASN 8 1HB ASN 8 50.844 -9.347 -4.899
55 1HD2 ASN 8 1HD2 ASN 8 51.702 -6.505 -6.577
56 2HD2 ASN 8 2HD2 ASN 8 50.528 -6.637 -7.838
57 H GLN 9 H GLN 9 48.268 -6.167 -3.196
58 HA GLN 9 HA GLN 9 49.691 -3.646 -3.658
59 1HB GLN 9 2HB GLN 9 47.494 -4.651 -5.158
60 2HB GLN 9 1HB GLN 9 46.868 -3.369 -4.136
61 1HG GLN 9 2HG GLN 9 47.500 -2.515 -6.308
62 2HG GLN 9 1HG GLN 9 48.513 -1.824 -5.041
63 1HE2 GLN 9 1HE2 GLN 9 48.905 -5.059 -6.206
64 2HE2 GLN 9 2HE2 GLN 9 50.429 -4.813 -6.966
65 H PHE 10 H PHE 10 48.206 -1.850 -2.621
66 HA PHE 10 HA PHE 10 46.898 -2.881 -0.223
67 1HB PHE 10 2HB PHE 10 49.150 -2.351 0.497
68 2HB PHE 10 1HB PHE 10 49.052 -0.761 -0.251
69 HD1 PHE 10 HD1 PHE 10 47.244 -2.830 2.283
70 HD2 PHE 10 HD2 PHE 10 48.559 1.035 1.081
71 HE1 PHE 10 HE1 PHE 10 46.337 -1.870 4.368
72 HE2 PHE 10 HE2 PHE 10 47.665 1.990 3.159
73 HZ PHE 10 HZ PHE 10 46.548 0.546 4.803
74 H SER 11 H SER 11 45.187 -1.635 0.453
75 HA SER 11 HA SER 11 44.363 0.357 -1.484
76 1HB SER 11 2HB SER 11 42.987 -1.731 -1.307
77 2HB SER 11 1HB SER 11 42.585 -1.258 0.340
78 HG SER 11 HG SER 11 42.154 0.545 -1.777
79 H CYS 12 H CYS 12 44.853 2.275 -0.697
80 HA CYS 12 HA CYS 12 44.796 3.013 2.007
81 1HB CYS 12 2HB CYS 12 45.981 4.351 0.357
82 2HB CYS 12 1HB CYS 12 44.473 4.706 -0.473
83 H ALA 13 H ALA 13 43.236 4.025 3.224
84 HA ALA 13 HA ALA 13 41.021 2.741 3.617
85 1HB ALA 13 1HB ALA 13 41.093 5.735 3.849
86 2HB ALA 13 2HB ALA 13 41.758 4.591 5.019
87 3HB ALA 13 3HB ALA 13 40.017 4.644 4.730
88 H SER 14 H SER 14 39.916 1.913 1.998
89 HA SER 14 HA SER 14 38.434 1.679 0.310
90 1HB SER 14 2HB SER 14 36.233 2.839 0.840
91 2HB SER 14 1HB SER 14 36.908 1.805 2.096
92 HG SER 14 HG SER 14 37.662 4.480 2.153
93 H GLY 15 H GLY 15 39.783 2.616 -1.338
94 1HA GLY 15 2HA GLY 15 38.383 3.893 -3.218
95 2HA GLY 15 1HA GLY 15 38.931 5.251 -2.248
96 H ARG 16 H ARG 16 41.491 4.310 -1.597
97 HA ARG 16 HA ARG 16 42.725 4.915 -4.166
98 1HB ARG 16 2HB ARG 16 43.976 4.904 -1.416
99 2HB ARG 16 1HB ARG 16 44.729 5.481 -2.892
100 1HG ARG 16 2HG ARG 16 44.051 7.416 -1.778
101 2HG ARG 16 1HG ARG 16 42.817 7.170 -3.017
102 1HD ARG 16 2HD ARG 16 41.377 6.103 -1.316
103 2HD ARG 16 1HD ARG 16 42.602 6.437 -0.091
104 HE ARG 16 HE ARG 16 42.105 8.875 -1.126
105 1HH1 ARG 16 1HH1 ARG 16 40.011 6.372 0.147
106 2HH1 ARG 16 2HH1 ARG 16 38.788 7.481 0.660
107 1HH2 ARG 16 1HH2 ARG 16 40.485 10.342 -0.435
108 2HH2 ARG 16 2HH2 ARG 16 39.065 9.733 0.347
109 H CYS 17 H CYS 17 44.901 3.832 -4.573
110 HA CYS 17 HA CYS 17 44.959 1.043 -3.763
111 1HB CYS 17 2HB CYS 17 43.431 1.620 -5.911
112 2HB CYS 17 1HB CYS 17 44.995 1.424 -6.697
113 H ILE 18 H ILE 18 46.996 1.213 -3.023
114 HA ILE 18 HA ILE 18 49.079 2.174 -4.873
115 HB ILE 18 HB ILE 18 50.326 2.948 -3.005
116 1HG1 ILE 18 2HG1 ILE 18 48.403 1.496 -1.182
117 2HG1 ILE 18 1HG1 ILE 18 49.950 0.822 -1.696
118 1HG2 ILE 18 1HG2 ILE 18 48.323 4.330 -3.432
119 2HG2 ILE 18 2HG2 ILE 18 48.807 4.364 -1.736
120 3HG2 ILE 18 3HG2 ILE 18 47.435 3.375 -2.239
121 1HD1 ILE 18 1HD1 ILE 18 51.101 2.693 -0.663
122 2HD1 ILE 18 2HD1 ILE 18 50.116 1.794 0.497
123 3HD1 ILE 18 3HD1 ILE 18 49.547 3.341 -0.129
124 HA PRO 19 HA PRO 19 50.812 -1.986 -4.463
125 1HB PRO 19 2HB PRO 19 53.493 -0.926 -3.872
126 2HB PRO 19 1HB PRO 19 52.941 -1.878 -5.254
127 1HG PRO 19 2HG PRO 19 53.595 0.736 -5.475
128 2HG PRO 19 1HG PRO 19 52.323 -0.012 -6.460
129 1HD PRO 19 2HD PRO 19 52.073 1.710 -4.023
130 2HD PRO 19 1HD PRO 19 51.093 1.708 -5.504
131 H ILE 20 H ILE 20 51.407 -3.449 -2.815
132 HA ILE 20 HA ILE 20 50.899 -2.519 -0.176
133 HB ILE 20 HB ILE 20 50.290 -4.804 -1.164
134 1HG1 ILE 20 2HG1 ILE 20 51.624 -4.814 1.543
135 2HG1 ILE 20 1HG1 ILE 20 50.043 -4.107 1.230
136 1HG2 ILE 20 1HG2 ILE 20 51.921 -6.602 -0.806
137 2HG2 ILE 20 2HG2 ILE 20 53.130 -5.394 -0.368
138 3HG2 ILE 20 3HG2 ILE 20 52.475 -5.429 -2.004
139 1HD1 ILE 20 1HD1 ILE 20 49.190 -6.292 0.572
140 2HD1 ILE 20 2HD1 ILE 20 49.837 -6.312 2.210
141 3HD1 ILE 20 3HD1 ILE 20 50.769 -7.010 0.883
142 H SER 21 H SER 21 52.338 -3.133 1.643
143 HA SER 21 HA SER 21 54.269 -2.931 2.799
144 1HB SER 21 2HB SER 21 55.184 -4.487 0.980
145 2HB SER 21 1HB SER 21 55.838 -3.030 0.231
146 HG SER 21 HG SER 21 57.316 -2.923 1.709
147 H TRP 22 H TRP 22 53.226 -0.883 0.388
148 HA TRP 22 HA TRP 22 54.943 1.365 1.015
149 1HB TRP 22 2HB TRP 22 52.352 1.061 -0.489
150 2HB TRP 22 1HB TRP 22 52.987 2.649 -0.085
151 HD1 TRP 22 HD1 TRP 22 54.370 -0.525 -1.823
152 HE1 TRP 22 HE1 TRP 22 55.718 0.251 -3.848
153 HE3 TRP 22 HE3 TRP 22 53.821 4.512 -1.281
154 HZ2 TRP 22 HZ2 TRP 22 56.477 2.682 -5.085
155 HZ3 TRP 22 HZ3 TRP 22 54.884 6.001 -2.931
156 HH2 TRP 22 HH2 TRP 22 56.181 5.099 -4.791
157 H THR 23 H THR 23 53.282 -0.195 3.049
158 HA THR 23 HA THR 23 51.336 1.668 3.981
159 HB THR 23 HB THR 23 51.043 0.037 5.829
160 HG1 THR 23 HG1 THR 23 52.399 -1.655 6.056
161 1HG2 THR 23 1HG2 THR 23 51.155 -1.174 3.051
162 2HG2 THR 23 2HG2 THR 23 49.818 -0.230 3.716
163 3HG2 THR 23 3HG2 THR 23 50.221 -1.799 4.414
164 H CYS 24 H CYS 24 53.672 0.206 6.120
165 HA CYS 24 HA CYS 24 54.421 2.812 7.075
166 1HB CYS 24 2HB CYS 24 54.899 0.050 8.093
167 2HB CYS 24 1HB CYS 24 55.779 1.435 8.745
168 H ASP 25 H ASP 25 55.867 3.802 5.826
169 HA ASP 25 HA ASP 25 58.207 2.284 4.859
170 1HB ASP 25 2HB ASP 25 56.525 2.474 3.069
171 2HB ASP 25 1HB ASP 25 56.497 4.218 3.271
172 H LEU 26 H LEU 26 57.109 4.739 6.679
173 HA LEU 26 HA LEU 26 58.148 6.390 7.829
174 1HB LEU 26 2HB LEU 26 60.491 5.749 6.065
175 2HB LEU 26 1HB LEU 26 60.500 7.120 7.156
176 HG LEU 26 HG LEU 26 60.248 4.215 7.930
177 1HD1 LEU 26 1HD1 LEU 26 62.396 4.579 9.017
178 2HD1 LEU 26 2HD1 LEU 26 62.421 6.242 8.433
179 3HD1 LEU 26 3HD1 LEU 26 62.499 4.905 7.286
180 1HD2 LEU 26 1HD2 LEU 26 60.283 5.001 10.240
181 2HD2 LEU 26 2HD2 LEU 26 58.868 5.608 9.381
182 3HD2 LEU 26 3HD2 LEU 26 60.242 6.673 9.679
183 H ASP 27 H ASP 27 56.933 6.486 4.922
184 HA ASP 27 HA ASP 27 57.008 9.418 4.935
185 1HB ASP 27 2HB ASP 27 58.428 8.398 3.035
186 2HB ASP 27 1HB ASP 27 56.893 7.894 2.336
187 H ASP 28 H ASP 28 55.037 10.202 5.137
188 HA ASP 28 HA ASP 28 52.870 8.328 5.367
189 1HB ASP 28 2HB ASP 28 53.327 10.197 6.997
190 2HB ASP 28 1HB ASP 28 52.789 11.328 5.765
191 H ASP 29 H ASP 29 52.071 7.663 3.436
192 HA ASP 29 HA ASP 29 51.322 9.630 1.426
193 1HB ASP 29 2HB ASP 29 51.591 6.690 1.483
194 2HB ASP 29 1HB ASP 29 50.259 7.292 0.506
195 H CYS 30 H CYS 30 49.561 6.910 2.798
196 HA CYS 30 HA CYS 30 47.814 8.483 4.292
197 1HB CYS 30 2HB CYS 30 45.677 8.100 3.128
198 2HB CYS 30 1HB CYS 30 46.750 9.168 2.234
199 H GLY 31 H GLY 31 47.503 5.526 2.326
200 1HA GLY 31 2HA GLY 31 47.022 3.368 2.935
201 2HA GLY 31 1HA GLY 31 47.987 3.707 4.361
202 H ASP 32 H ASP 32 47.014 4.136 6.283
203 HA ASP 32 HA ASP 32 44.259 3.267 6.580
204 1HB ASP 32 2HB ASP 32 45.952 4.557 8.730
205 2HB ASP 32 1HB ASP 32 44.625 3.424 8.935
206 H ARG 33 H ARG 33 46.105 6.073 6.368
207 HA ARG 33 HA ARG 33 44.517 8.093 5.744
208 1HB ARG 33 2HB ARG 33 42.994 8.134 7.528
209 2HB ARG 33 1HB ARG 33 44.175 7.505 8.671
210 1HG ARG 33 2HG ARG 33 43.755 9.775 9.251
211 2HG ARG 33 1HG ARG 33 45.373 9.672 8.534
212 1HD ARG 33 2HD ARG 33 44.462 10.447 6.395
213 2HD ARG 33 1HD ARG 33 42.861 10.583 7.121
214 HE ARG 33 HE ARG 33 43.564 12.468 8.291
215 1HH1 ARG 33 1HH1 ARG 33 46.241 11.069 6.488
216 2HH1 ARG 33 2HH1 ARG 33 47.219 12.496 6.607
217 1HH2 ARG 33 1HH2 ARG 33 44.853 14.345 8.423
218 2HH2 ARG 33 2HH2 ARG 33 46.425 14.357 7.702
219 H SER 34 H SER 34 46.515 7.201 8.402
220 HA SER 34 HA SER 34 48.800 8.537 7.193
221 1HB SER 34 2HB SER 34 48.040 8.557 10.130
222 2HB SER 34 1HB SER 34 49.657 8.952 9.546
223 HG SER 34 HG SER 34 48.690 10.607 8.277
224 H ASP 35 H ASP 35 49.399 6.691 6.305
225 HA ASP 35 HA ASP 35 49.018 4.116 7.359
226 1HB ASP 35 2HB ASP 35 50.707 3.470 5.474
227 2HB ASP 35 1HB ASP 35 49.103 4.068 5.079
228 H GLU 36 H GLU 36 50.993 6.096 8.764
229 HA GLU 36 HA GLU 36 53.081 4.089 9.279
230 1HB GLU 36 2HB GLU 36 52.898 7.027 9.997
231 2HB GLU 36 1HB GLU 36 54.159 5.959 10.596
232 1HG GLU 36 2HG GLU 36 53.641 6.531 7.688
233 2HG GLU 36 1HG GLU 36 54.847 7.352 8.676
234 H SER 37 H SER 37 50.465 3.590 10.096
235 HA SER 37 HA SER 37 50.700 3.843 13.014
236 1HB SER 37 2HB SER 37 48.097 3.927 11.476
237 2HB SER 37 1HB SER 37 48.314 4.160 13.211
238 HG SER 37 HG SER 37 49.201 5.839 11.100
239 H ALA 38 H ALA 38 48.583 2.066 10.700
240 HA ALA 38 HA ALA 38 48.231 0.040 12.715
241 1HB ALA 38 1HB ALA 38 47.129 0.155 9.921
242 2HB ALA 38 2HB ALA 38 46.370 0.849 11.354
243 3HB ALA 38 3HB ALA 38 46.576 -0.899 11.227
244 H SER 39 H SER 39 50.450 0.359 10.173
245 HA SER 39 HA SER 39 50.707 -2.564 9.949
246 1HB SER 39 2HB SER 39 50.298 -1.372 7.829
247 2HB SER 39 1HB SER 39 51.745 -0.403 8.101
248 HG SER 39 HG SER 39 52.324 -3.027 8.306
249 H CYS 40 H CYS 40 52.216 0.245 11.127
250 HA CYS 40 HA CYS 40 54.910 -0.458 10.982
251 1HB CYS 40 2HB CYS 40 53.437 1.343 12.902
252 2HB CYS 40 1HB CYS 40 55.190 1.212 12.834
253 H ALA 41 H ALA 41 55.201 -2.612 11.613
254 HA ALA 41 HA ALA 41 55.211 -3.024 14.512
255 1HB ALA 41 1HB ALA 41 55.869 -5.334 14.006
256 2HB ALA 41 2HB ALA 41 55.907 -4.942 12.287
257 3HB ALA 41 3HB ALA 41 54.381 -4.892 13.170
258 H TYR 42 H TYR 42 57.215 -2.697 11.724
259 HA TYR 42 HA TYR 42 59.413 -2.323 11.355
260 1HB TYR 42 2HB TYR 42 58.733 -0.590 13.689
261 2HB TYR 42 1HB TYR 42 60.393 -0.642 13.107
262 HD1 TYR 42 HD1 TYR 42 61.043 0.670 11.299
263 HD2 TYR 42 HD2 TYR 42 56.901 -0.016 11.962
264 HE1 TYR 42 HE1 TYR 42 60.496 2.296 9.535
265 HE2 TYR 42 HE2 TYR 42 56.345 1.608 10.206
266 HH TYR 42 HH TYR 42 57.340 3.534 9.081
267 HA PRO 43 HA PRO 43 61.553 -5.235 14.200
268 1HB PRO 43 2HB PRO 43 62.015 -6.785 11.771
269 2HB PRO 43 1HB PRO 43 61.305 -7.312 13.299
270 1HG PRO 43 2HG PRO 43 59.872 -7.085 11.006
271 2HG PRO 43 1HG PRO 43 59.170 -6.857 12.616
272 1HD PRO 43 2HD PRO 43 60.025 -4.798 10.615
273 2HD PRO 43 1HD PRO 43 58.598 -4.819 11.675
274 H THR 44 H THR 44 61.817 -3.579 11.251
275 HA THR 44 HA THR 44 64.353 -2.534 11.781
276 HB THR 44 HB THR 44 65.460 -4.440 11.038
277 HG1 THR 44 HG1 THR 44 66.156 -2.575 9.876
278 1HG2 THR 44 1HG2 THR 44 63.363 -5.540 10.134
279 2HG2 THR 44 2HG2 THR 44 64.860 -5.877 9.268
280 3HG2 THR 44 3HG2 THR 44 63.706 -4.723 8.607
281 H CYS 45 H CYS 45 62.662 -3.384 8.815
282 HA CYS 45 HA CYS 45 61.491 -0.773 8.585
283 1HB CYS 45 2HB CYS 45 63.769 -1.608 6.846
284 2HB CYS 45 1HB CYS 45 62.432 -0.743 6.091
285 H PHE 46 H PHE 46 61.447 -4.032 8.142
286 HA PHE 46 HA PHE 46 59.617 -3.949 5.873
287 1HB PHE 46 2HB PHE 46 60.810 -5.726 5.209
288 2HB PHE 46 1HB PHE 46 61.648 -5.807 6.749
289 HD1 PHE 46 HD1 PHE 46 58.372 -6.754 5.211
290 HD2 PHE 46 HD2 PHE 46 61.417 -7.693 8.033
291 HE1 PHE 46 HE1 PHE 46 57.233 -8.868 5.727
292 HE2 PHE 46 HE2 PHE 46 60.280 -9.810 8.558
293 HZ PHE 46 HZ PHE 46 58.186 -10.402 7.401
294 HA PRO 47 HA PRO 47 56.354 -5.122 8.702
295 1HB PRO 47 2HB PRO 47 54.406 -3.678 7.553
296 2HB PRO 47 1HB PRO 47 55.571 -2.950 8.662
297 1HG PRO 47 2HG PRO 47 55.357 -2.688 5.729
298 2HG PRO 47 1HG PRO 47 56.077 -1.586 6.913
299 1HD PRO 47 2HD PRO 47 57.417 -3.489 5.237
300 2HD PRO 47 1HD PRO 47 58.130 -2.403 6.444
301 H LEU 48 H LEU 48 56.854 -5.275 5.321
302 HA LEU 48 HA LEU 48 55.080 -7.558 5.054
303 1HB LEU 48 2HB LEU 48 54.781 -5.031 3.432
304 2HB LEU 48 1HB LEU 48 54.083 -6.571 2.957
305 HG LEU 48 HG LEU 48 53.492 -5.366 5.637
306 1HD1 LEU 48 1HD1 LEU 48 52.908 -3.675 3.982
307 2HD1 LEU 48 2HD1 LEU 48 51.462 -4.402 4.684
308 3HD1 LEU 48 3HD1 LEU 48 51.992 -4.874 3.070
309 1HD2 LEU 48 1HD2 LEU 48 51.446 -6.721 5.413
310 2HD2 LEU 48 2HD2 LEU 48 52.911 -7.699 5.334
311 3HD2 LEU 48 3HD2 LEU 48 52.028 -7.312 3.858
312 H THR 49 H THR 49 57.203 -5.346 3.187
313 HA THR 49 HA THR 49 59.107 -7.296 2.633
314 HB THR 49 HB THR 49 57.356 -8.326 1.257
315 HG1 THR 49 HG1 THR 49 58.692 -8.751 -0.369
316 1HG2 THR 49 1HG2 THR 49 56.047 -6.370 0.622
317 2HG2 THR 49 2HG2 THR 49 56.554 -7.269 -0.808
318 3HG2 THR 49 3HG2 THR 49 57.384 -5.777 -0.364
319 H GLN 50 H GLN 50 60.626 -5.802 2.981
320 HA GLN 50 HA GLN 50 60.648 -3.340 1.412
321 1HB GLN 50 2HB GLN 50 60.641 -3.526 4.418
322 2HB GLN 50 1HB GLN 50 61.181 -2.096 3.557
323 1HG GLN 50 2HG GLN 50 58.456 -3.252 3.123
324 2HG GLN 50 1HG GLN 50 58.798 -2.149 4.455
325 1HE2 GLN 50 1HE2 GLN 50 59.283 -0.021 4.022
326 2HE2 GLN 50 2HE2 GLN 50 58.967 0.725 2.493
327 H PHE 51 H PHE 51 62.619 -2.024 2.009
328 HA PHE 51 HA PHE 51 64.929 -3.622 2.876
329 1HB PHE 51 2HB PHE 51 64.940 -3.436 0.389
330 2HB PHE 51 1HB PHE 51 64.866 -1.686 0.532
331 HD1 PHE 51 HD1 PHE 51 66.983 -4.644 0.845
332 HD2 PHE 51 HD2 PHE 51 66.818 -0.410 1.190
333 HE1 PHE 51 HE1 PHE 51 69.438 -4.554 0.837
334 HE2 PHE 51 HE2 PHE 51 69.271 -0.305 1.211
335 HZ PHE 51 HZ PHE 51 70.586 -2.381 1.034
336 H THR 52 H THR 52 66.572 -2.233 3.940
337 HA THR 52 HA THR 52 65.363 0.311 4.782
338 HB THR 52 HB THR 52 65.725 -1.302 6.631
339 HG1 THR 52 HG1 THR 52 65.848 0.978 7.033
340 1HG2 THR 52 1HG2 THR 52 67.984 -1.792 7.400
341 2HG2 THR 52 2HG2 THR 52 68.653 -0.918 6.021
342 3HG2 THR 52 3HG2 THR 52 67.738 -2.406 5.765
343 H CYS 53 H CYS 53 66.184 2.029 3.797
344 HA CYS 53 HA CYS 53 68.702 2.336 2.674
345 1HB CYS 53 2HB CYS 53 67.038 4.329 4.193
346 2HB CYS 53 1HB CYS 53 68.512 4.751 3.328
347 H ASN 54 H ASN 54 70.734 2.434 3.432
348 HA ASN 54 HA ASN 54 71.291 1.962 6.182
349 1HB ASN 54 2HB ASN 54 73.058 2.683 3.842
350 2HB ASN 54 1HB ASN 54 73.696 2.461 5.468
351 1HD2 ASN 54 1HD2 ASN 54 72.173 0.905 2.755
352 2HD2 ASN 54 2HD2 ASN 54 72.553 -0.713 3.215
353 H ASN 55 H ASN 55 70.693 4.737 4.319
354 HA ASN 55 HA ASN 55 71.853 6.722 5.920
355 1HB ASN 55 2HB ASN 55 70.861 7.033 3.632
356 2HB ASN 55 1HB ASN 55 69.266 6.884 4.358
357 1HD2 ASN 55 1HD2 ASN 55 71.951 8.917 3.770
358 2HD2 ASN 55 2HD2 ASN 55 71.294 10.353 4.473
359 H GLY 56 H GLY 56 69.252 4.558 6.470
360 1HA GLY 56 2HA GLY 56 68.531 4.357 8.792
361 2HA GLY 56 1HA GLY 56 68.458 6.110 8.852
362 H ARG 57 H ARG 57 67.314 5.178 5.886
363 HA ARG 57 HA ARG 57 64.566 5.626 6.796
364 1HB ARG 57 2HB ARG 57 65.661 5.638 3.979
365 2HB ARG 57 1HB ARG 57 64.016 6.045 4.444
366 1HG ARG 57 2HG ARG 57 64.679 8.154 4.534
367 2HG ARG 57 1HG ARG 57 65.600 7.724 5.977
368 1HD ARG 57 2HD ARG 57 67.065 8.815 4.417
369 2HD ARG 57 1HD ARG 57 67.502 7.108 4.524
370 HE ARG 57 HE ARG 57 65.813 7.182 2.408
371 1HH1 ARG 57 1HH1 ARG 57 68.643 9.043 3.257
372 2HH1 ARG 57 2HH1 ARG 57 69.215 9.170 1.616
373 1HH2 ARG 57 1HH2 ARG 57 66.572 7.381 0.220
374 2HH2 ARG 57 2HH2 ARG 57 68.049 8.253 -0.078
375 H CYS 58 H CYS 58 62.905 4.467 5.321
376 HA CYS 58 HA CYS 58 63.724 1.680 4.870
377 1HB CYS 58 2HB CYS 58 60.940 2.716 5.496
378 2HB CYS 58 1HB CYS 58 61.416 1.029 5.329
379 H ILE 59 H ILE 59 63.255 0.823 2.839
380 HA ILE 59 HA ILE 59 61.586 2.437 1.091
381 HB ILE 59 HB ILE 59 63.012 1.999 -0.865
382 1HG1 ILE 59 2HG1 ILE 59 65.173 1.224 1.086
383 2HG1 ILE 59 1HG1 ILE 59 64.203 0.039 0.215
384 1HG2 ILE 59 1HG2 ILE 59 63.119 4.144 0.219
385 2HG2 ILE 59 2HG2 ILE 59 64.719 3.681 -0.366
386 3HG2 ILE 59 3HG2 ILE 59 64.331 3.545 1.350
387 1HD1 ILE 59 1HD1 ILE 59 66.344 0.440 -0.882
388 2HD1 ILE 59 2HD1 ILE 59 65.937 2.146 -1.059
389 3HD1 ILE 59 3HD1 ILE 59 64.991 0.920 -1.911
390 H ASN 60 H ASN 60 61.060 1.159 -0.970
391 HA ASN 60 HA ASN 60 59.867 -1.310 -0.321
392 1HB ASN 60 2HB ASN 60 60.295 0.242 -2.825
393 2HB ASN 60 1HB ASN 60 59.911 -1.465 -2.990
394 1HD2 ASN 60 1HD2 ASN 60 58.689 0.529 -0.369
395 2HD2 ASN 60 2HD2 ASN 60 57.048 0.529 -0.909
396 H ILE 61 H ILE 61 60.397 -3.428 -0.892
397 HA ILE 61 HA ILE 61 63.212 -3.996 -1.126
398 HB ILE 61 HB ILE 61 61.506 -5.391 0.167
399 1HG1 ILE 61 2HG1 ILE 61 63.347 -6.774 -1.806
400 2HG1 ILE 61 1HG1 ILE 61 63.828 -6.100 -0.252
401 1HG2 ILE 61 1HG2 ILE 61 60.370 -7.142 -1.100
402 2HG2 ILE 61 2HG2 ILE 61 60.970 -6.444 -2.605
403 3HG2 ILE 61 3HG2 ILE 61 59.834 -5.539 -1.604
404 1HD1 ILE 61 1HD1 ILE 61 61.931 -8.395 -0.679
405 2HD1 ILE 61 2HD1 ILE 61 62.399 -7.722 0.883
406 3HD1 ILE 61 3HD1 ILE 61 63.606 -8.505 -0.139
407 H ASN 62 H ASN 62 60.887 -3.146 -3.315
408 HA ASN 62 HA ASN 62 61.593 -5.050 -5.403
409 1HB ASN 62 2HB ASN 62 59.220 -4.319 -4.908
410 2HB ASN 62 1HB ASN 62 59.648 -2.741 -5.557
411 1HD2 ASN 62 1HD2 ASN 62 60.877 -5.752 -6.843
412 2HD2 ASN 62 2HD2 ASN 62 60.019 -5.682 -8.338
413 H TRP 63 H TRP 63 63.363 -2.755 -4.351
414 HA TRP 63 HA TRP 63 63.744 -1.370 -6.913
415 1HB TRP 63 2HB TRP 63 64.408 -0.500 -4.106
416 2HB TRP 63 1HB TRP 63 64.983 0.351 -5.541
417 HD1 TRP 63 HD1 TRP 63 61.889 -0.545 -6.813
418 HE1 TRP 63 HE1 TRP 63 60.011 1.146 -6.347
419 HE3 TRP 63 HE3 TRP 63 64.087 2.026 -3.032
420 HZ2 TRP 63 HZ2 TRP 63 59.539 3.311 -4.601
421 HZ3 TRP 63 HZ3 TRP 63 62.866 3.908 -2.002
422 HH2 TRP 63 HH2 TRP 63 60.638 4.532 -2.775
423 H ARG 64 H ARG 64 64.809 -3.950 -5.428
424 HA ARG 64 HA ARG 64 67.632 -3.804 -5.606
425 1HB ARG 64 2HB ARG 64 66.426 -5.577 -4.381
426 2HB ARG 64 1HB ARG 64 65.783 -6.183 -5.898
427 1HG ARG 64 2HG ARG 64 67.539 -7.620 -5.333
428 2HG ARG 64 1HG ARG 64 68.183 -6.575 -6.598
429 1HD ARG 64 2HD ARG 64 69.827 -6.832 -4.849
430 2HD ARG 64 1HD ARG 64 69.238 -5.171 -4.856
431 HE ARG 64 HE ARG 64 67.666 -6.415 -3.020
432 1HH1 ARG 64 1HH1 ARG 64 71.110 -6.273 -3.504
433 2HH1 ARG 64 2HH1 ARG 64 71.494 -6.112 -1.816
434 1HH2 ARG 64 1HH2 ARG 64 68.147 -6.309 -0.763
435 2HH2 ARG 64 2HH2 ARG 64 69.799 -6.190 -0.252
436 H CYS 65 H CYS 65 68.509 -3.081 -7.520
437 HA CYS 65 HA CYS 65 67.412 -4.227 -9.996
438 1HB CYS 65 2HB CYS 65 68.611 -1.502 -9.552
439 2HB CYS 65 1HB CYS 65 68.136 -2.136 -11.123
440 H ASP 66 H ASP 66 70.319 -2.387 -9.334
441 HA ASP 66 HA ASP 66 71.778 -3.806 -11.308
442 1HB ASP 66 2HB ASP 66 72.809 -1.880 -9.215
443 2HB ASP 66 1HB ASP 66 73.634 -2.357 -10.695
444 H ASN 67 H ASN 67 72.867 -3.353 -7.935
445 HA ASN 67 HA ASN 67 73.157 -6.235 -7.804
446 1HB ASN 67 2HB ASN 67 75.292 -6.051 -6.576
447 2HB ASN 67 1HB ASN 67 75.399 -5.478 -8.227
448 1HD2 ASN 67 1HD2 ASN 67 74.179 -3.708 -5.378
449 2HD2 ASN 67 2HD2 ASN 67 75.395 -2.488 -5.436
450 H ASP 68 H ASP 68 72.383 -3.268 -6.218
451 HA ASP 68 HA ASP 68 71.359 -4.907 -4.005
452 1HB ASP 68 2HB ASP 68 73.460 -3.468 -3.463
453 2HB ASP 68 1HB ASP 68 72.327 -2.116 -3.467
454 H ASN 69 H ASN 69 70.108 -2.646 -2.678
455 HA ASN 69 HA ASN 69 67.793 -2.577 -4.519
456 1HB ASN 69 2HB ASN 69 67.691 -3.913 -2.350
457 2HB ASN 69 1HB ASN 69 67.740 -2.372 -1.507
458 1HD2 ASN 69 1HD2 ASN 69 66.020 -0.894 -1.872
459 2HD2 ASN 69 2HD2 ASN 69 64.442 -1.492 -2.271
460 H ASP 70 H ASP 70 67.591 -0.643 -5.417
461 HA ASP 70 HA ASP 70 69.128 1.553 -4.791
462 1HB ASP 70 2HB ASP 70 67.635 0.907 -6.890
463 2HB ASP 70 1HB ASP 70 66.535 2.050 -6.118
464 H CYS 71 H CYS 71 69.105 2.723 -3.042
465 HA CYS 71 HA CYS 71 66.548 3.586 -1.884
466 1HB CYS 71 2HB CYS 71 67.853 2.646 -0.179
467 2HB CYS 71 1HB CYS 71 69.340 3.346 -0.808
468 H GLY 72 H GLY 72 69.587 4.726 -3.257
469 1HA GLY 72 2HA GLY 72 69.158 6.734 -4.695
470 2HA GLY 72 1HA GLY 72 68.434 7.442 -3.266
471 H ASP 73 H ASP 73 70.649 6.310 -1.523
472 HA ASP 73 HA ASP 73 72.901 7.830 -2.454
473 1HB ASP 73 2HB ASP 73 72.933 9.336 -0.454
474 2HB ASP 73 1HB ASP 73 71.653 9.671 -1.613
475 H ASN 74 H ASN 74 74.075 6.054 -2.274
476 HA ASN 74 HA ASN 74 75.962 5.198 -1.334
477 1HB ASN 74 2HB ASN 74 75.144 6.752 1.123
478 2HB ASN 74 1HB ASN 74 76.687 5.939 0.910
479 1HD2 ASN 74 1HD2 ASN 74 74.766 8.688 0.117
480 2HD2 ASN 74 2HD2 ASN 74 75.996 9.569 -0.718
481 H SER 75 H SER 75 73.016 4.226 -0.624
482 HA SER 75 HA SER 75 73.687 2.475 1.584
483 1HB SER 75 2HB SER 75 71.125 2.822 0.030
484 2HB SER 75 1HB SER 75 71.308 1.787 1.449
485 HG SER 75 HG SER 75 71.899 4.562 1.499
486 H ASP 76 H ASP 76 71.879 1.874 -1.249
487 HA ASP 76 HA ASP 76 72.707 -0.819 -1.608
488 1HB ASP 76 2HB ASP 76 71.357 -0.403 -3.773
489 2HB ASP 76 1HB ASP 76 70.509 -0.237 -2.235
490 H GLU 77 H GLU 77 73.010 2.083 -3.586
491 HA GLU 77 HA GLU 77 75.600 1.945 -4.429
492 1HB GLU 77 2HB GLU 77 75.610 0.841 -6.564
493 2HB GLU 77 1HB GLU 77 74.989 -0.303 -5.386
494 1HG GLU 77 2HG GLU 77 72.857 1.210 -6.611
495 2HG GLU 77 1HG GLU 77 73.852 0.398 -7.817
496 H ALA 78 H ALA 78 72.291 2.526 -5.170
497 HA ALA 78 HA ALA 78 71.132 4.165 -6.211
498 1HB ALA 78 1HB ALA 78 72.021 6.426 -6.211
499 2HB ALA 78 2HB ALA 78 73.633 5.811 -5.842
500 3HB ALA 78 3HB ALA 78 72.328 5.631 -4.666
501 H GLY 79 H GLY 79 70.930 3.098 -8.189
502 1HA GLY 79 2HA GLY 79 72.299 4.386 -10.387
503 2HA GLY 79 1HA GLY 79 72.793 2.721 -10.146
504 H CYS 80 H CYS 80 69.778 2.447 -9.178
505 HA CYS 80 HA CYS 80 68.986 1.192 -11.597
506 1HB CYS 80 2HB CYS 80 68.280 0.403 -9.366
507 2HB CYS 80 1HB CYS 80 67.311 1.859 -9.164
508 H SER 81 H SER 81 68.550 2.357 -13.343
509 HA SER 81 HA SER 81 66.412 4.333 -13.212
510 1HB SER 81 2HB SER 81 68.565 5.578 -13.000
511 2HB SER 81 1HB SER 81 69.076 4.901 -14.545
512 HG SER 81 HG SER 81 67.617 6.128 -15.586
513 H HIS 82 HN HIS 82 65.905 5.045 -15.566
514 HA HIS 82 HA HIS 82 66.197 2.741 -17.371
515 1HB HIS 82 2HB HIS 82 63.903 2.898 -16.292
516 2HB HIS 82 1HB HIS 82 63.696 4.436 -17.120
517 HD1 HIS 82 HD1 HIS 82 64.778 3.655 -19.928
518 HD2 HIS 82 HD2 HIS 82 62.205 1.315 -17.647
519 HE1 HIS 82 HE1 HIS 82 63.548 2.151 -21.554
Start of MODEL 13
1 1H SER 1 1HT SER 1 27.258 -3.050 -5.021
2 2H SER 1 2HT SER 1 27.197 -2.188 -6.473
3 3H SER 1 3HT SER 1 27.454 -1.365 -5.019
4 HA SER 1 HA SER 1 29.292 -3.255 -6.361
5 1HB SER 1 2HB SER 1 29.566 -0.314 -5.685
6 2HB SER 1 1HB SER 1 30.768 -1.305 -6.516
7 HG SER 1 HG SER 1 29.051 0.084 -7.718
8 H ALA 2 H ALA 2 31.609 -2.611 -5.202
9 HA ALA 2 HA ALA 2 31.169 -3.186 -2.347
10 1HB ALA 2 1HB ALA 2 33.345 -4.285 -4.129
11 2HB ALA 2 2HB ALA 2 31.939 -5.174 -3.542
12 3HB ALA 2 3HB ALA 2 33.161 -4.604 -2.405
13 H ARG 3 H ARG 3 33.712 -3.049 -1.412
14 HA ARG 3 HA ARG 3 34.766 -0.423 -2.178
15 1HB ARG 3 2HB ARG 3 33.736 -1.235 0.522
16 2HB ARG 3 1HB ARG 3 35.063 -0.092 0.407
17 1HG ARG 3 2HG ARG 3 33.654 1.384 -0.974
18 2HG ARG 3 1HG ARG 3 32.318 0.247 -0.782
19 1HD ARG 3 2HD ARG 3 32.216 0.626 1.561
20 2HD ARG 3 1HD ARG 3 33.743 1.507 1.548
21 HE ARG 3 HE ARG 3 31.822 2.785 -0.109
22 1HH1 ARG 3 1HH1 ARG 3 32.631 2.255 3.265
23 2HH1 ARG 3 2HH1 ARG 3 31.976 3.774 3.785
24 1HH2 ARG 3 1HH2 ARG 3 30.937 4.777 0.571
25 2HH2 ARG 3 2HH2 ARG 3 31.011 5.212 2.253
26 H THR 4 H THR 4 36.596 -0.236 -0.080
27 HA THR 4 HA THR 4 38.648 -0.788 0.605
28 HB THR 4 HB THR 4 39.170 -3.114 1.209
29 HG1 THR 4 HG1 THR 4 37.220 -3.668 -0.586
30 1HG2 THR 4 1HG2 THR 4 36.389 -2.221 1.980
31 2HG2 THR 4 2HG2 THR 4 37.896 -1.721 2.746
32 3HG2 THR 4 3HG2 THR 4 37.371 -3.399 2.851
33 H CYS 5 H CYS 5 40.399 -2.894 -0.025
34 HA CYS 5 HA CYS 5 40.920 -2.489 -2.885
35 1HB CYS 5 2HB CYS 5 41.981 -0.733 -1.260
36 2HB CYS 5 1HB CYS 5 43.069 -2.035 -0.817
37 HA PRO 6 HA PRO 6 41.922 -6.780 -2.590
38 1HB PRO 6 2HB PRO 6 43.869 -6.495 -4.759
39 2HB PRO 6 1HB PRO 6 42.313 -7.325 -4.757
40 1HG PRO 6 2HG PRO 6 42.746 -5.032 -6.125
41 2HG PRO 6 1HG PRO 6 41.167 -5.456 -5.438
42 1HD PRO 6 2HD PRO 6 43.238 -3.556 -4.417
43 2HD PRO 6 1HD PRO 6 41.467 -3.407 -4.416
44 HA PRO 7 HA PRO 7 45.824 -7.753 -0.569
45 1HB PRO 7 2HB PRO 7 46.322 -9.770 -2.697
46 2HB PRO 7 1HB PRO 7 46.333 -9.961 -0.939
47 1HG PRO 7 2HG PRO 7 44.298 -10.874 -2.396
48 2HG PRO 7 1HG PRO 7 44.023 -10.116 -0.818
49 1HD PRO 7 2HD PRO 7 43.587 -9.009 -3.556
50 2HD PRO 7 1HD PRO 7 42.635 -8.775 -2.075
51 H ASN 8 H ASN 8 48.102 -7.523 -0.807
52 HA ASN 8 HA ASN 8 50.012 -6.547 -1.581
53 1HB ASN 8 2HB ASN 8 49.682 -7.972 -3.635
54 2HB ASN 8 1HB ASN 8 48.800 -6.629 -4.359
55 1HD2 ASN 8 1HD2 ASN 8 50.145 -5.992 -5.947
56 2HD2 ASN 8 2HD2 ASN 8 51.783 -5.506 -5.719
57 H GLN 9 H GLN 9 47.086 -5.298 -1.488
58 HA GLN 9 HA GLN 9 47.921 -2.593 -2.203
59 1HB GLN 9 2HB GLN 9 45.744 -4.159 -3.361
60 2HB GLN 9 1HB GLN 9 45.198 -2.632 -2.697
61 1HG GLN 9 2HG GLN 9 45.657 -2.192 -4.931
62 2HG GLN 9 1HG GLN 9 47.024 -1.532 -4.039
63 1HE2 GLN 9 1HE2 GLN 9 46.640 -4.962 -4.611
64 2HE2 GLN 9 2HE2 GLN 9 47.931 -5.116 -5.734
65 H PHE 10 H PHE 10 46.549 -0.987 -1.255
66 HA PHE 10 HA PHE 10 45.359 -1.772 1.287
67 1HB PHE 10 2HB PHE 10 47.533 -1.182 1.990
68 2HB PHE 10 1HB PHE 10 47.664 0.103 0.796
69 HD1 PHE 10 HD1 PHE 10 45.859 -0.864 3.890
70 HD2 PHE 10 HD2 PHE 10 47.245 2.296 1.396
71 HE1 PHE 10 HE1 PHE 10 45.142 0.794 5.580
72 HE2 PHE 10 HE2 PHE 10 46.532 3.945 3.067
73 HZ PHE 10 HZ PHE 10 45.457 3.211 5.147
74 H SER 11 H SER 11 43.571 -0.660 1.692
75 HA SER 11 HA SER 11 42.863 1.564 -0.002
76 1HB SER 11 2HB SER 11 40.532 1.156 0.898
77 2HB SER 11 1HB SER 11 41.190 -0.161 -0.076
78 HG SER 11 HG SER 11 41.438 -0.102 2.743
79 H CYS 12 H CYS 12 43.306 3.397 0.784
80 HA CYS 12 HA CYS 12 44.283 3.892 3.332
81 1HB CYS 12 2HB CYS 12 45.068 5.311 1.698
82 2HB CYS 12 1HB CYS 12 43.486 5.534 0.969
83 H ALA 13 H ALA 13 42.023 6.304 2.690
84 HA ALA 13 HA ALA 13 40.501 5.681 5.069
85 1HB ALA 13 1HB ALA 13 40.321 8.037 3.190
86 2HB ALA 13 2HB ALA 13 41.279 7.969 4.668
87 3HB ALA 13 3HB ALA 13 39.519 7.899 4.761
88 H SER 14 H SER 14 40.025 3.724 3.418
89 HA SER 14 HA SER 14 38.683 2.580 2.018
90 1HB SER 14 2HB SER 14 36.252 2.835 2.408
91 2HB SER 14 1HB SER 14 37.177 2.731 3.901
92 HG SER 14 HG SER 14 37.000 5.292 3.292
93 H GLY 15 H GLY 15 39.725 5.275 1.111
94 1HA GLY 15 2HA GLY 15 37.879 5.650 -1.159
95 2HA GLY 15 1HA GLY 15 38.863 6.940 -0.475
96 H ARG 16 H ARG 16 41.331 6.169 -0.361
97 HA ARG 16 HA ARG 16 42.124 5.700 -3.074
98 1HB ARG 16 2HB ARG 16 43.647 6.124 -0.524
99 2HB ARG 16 1HB ARG 16 44.476 5.569 -1.971
100 1HG ARG 16 2HG ARG 16 44.784 7.778 -2.272
101 2HG ARG 16 1HG ARG 16 43.178 7.681 -2.987
102 1HD ARG 16 2HD ARG 16 42.173 8.365 -0.893
103 2HD ARG 16 1HD ARG 16 43.755 8.403 -0.119
104 HE ARG 16 HE ARG 16 42.726 10.311 -2.085
105 1HH1 ARG 16 1HH1 ARG 16 45.338 9.304 0.027
106 2HH1 ARG 16 2HH1 ARG 16 46.155 10.830 -0.046
107 1HH2 ARG 16 1HH2 ARG 16 43.803 12.331 -2.178
108 2HH2 ARG 16 2HH2 ARG 16 45.276 12.554 -1.294
109 H CYS 17 H CYS 17 42.794 3.899 -3.998
110 HA CYS 17 HA CYS 17 43.143 1.485 -2.354
111 1HB CYS 17 2HB CYS 17 41.135 1.417 -3.786
112 2HB CYS 17 1HB CYS 17 42.127 1.717 -5.201
113 H ILE 18 H ILE 18 45.302 1.403 -2.114
114 HA ILE 18 HA ILE 18 47.023 2.171 -4.387
115 HB ILE 18 HB ILE 18 48.424 3.413 -2.852
116 1HG1 ILE 18 2HG1 ILE 18 47.140 3.513 -0.410
117 2HG1 ILE 18 1HG1 ILE 18 46.991 1.815 -0.844
118 1HG2 ILE 18 1HG2 ILE 18 46.903 5.125 -2.072
119 2HG2 ILE 18 2HG2 ILE 18 45.548 3.992 -2.145
120 3HG2 ILE 18 3HG2 ILE 18 46.344 4.525 -3.636
121 1HD1 ILE 18 1HD1 ILE 18 49.443 1.749 -1.154
122 2HD1 ILE 18 2HD1 ILE 18 48.934 2.110 0.494
123 3HD1 ILE 18 3HD1 ILE 18 49.520 3.405 -0.549
124 HA PRO 19 HA PRO 19 49.163 -1.686 -3.459
125 1HB PRO 19 2HB PRO 19 51.648 -0.381 -4.332
126 2HB PRO 19 1HB PRO 19 50.829 -1.796 -4.999
127 1HG PRO 19 2HG PRO 19 50.881 0.581 -6.286
128 2HG PRO 19 1HG PRO 19 49.520 -0.547 -6.411
129 1HD PRO 19 2HD PRO 19 49.750 1.975 -4.824
130 2HD PRO 19 1HD PRO 19 48.346 1.293 -5.670
131 H ILE 20 H ILE 20 50.234 -2.395 -1.632
132 HA ILE 20 HA ILE 20 50.290 -0.552 0.501
133 HB ILE 20 HB ILE 20 51.428 -3.357 0.435
134 1HG1 ILE 20 2HG1 ILE 20 48.692 -2.215 0.965
135 2HG1 ILE 20 1HG1 ILE 20 49.147 -3.518 -0.123
136 1HG2 ILE 20 1HG2 ILE 20 51.152 -3.317 2.874
137 2HG2 ILE 20 2HG2 ILE 20 50.591 -1.648 2.798
138 3HG2 ILE 20 3HG2 ILE 20 52.251 -2.040 2.354
139 1HD1 ILE 20 1HD1 ILE 20 49.619 -4.941 1.821
140 2HD1 ILE 20 2HD1 ILE 20 47.944 -4.380 1.772
141 3HD1 ILE 20 3HD1 ILE 20 49.090 -3.630 2.879
142 H SER 21 H SER 21 52.727 -1.272 -1.764
143 HA SER 21 HA SER 21 54.954 -0.490 -0.102
144 1HB SER 21 2HB SER 21 54.667 -0.816 -3.098
145 2HB SER 21 1HB SER 21 56.188 -0.468 -2.277
146 HG SER 21 HG SER 21 56.201 -2.454 -1.419
147 H TRP 22 H TRP 22 52.528 1.262 -0.564
148 HA TRP 22 HA TRP 22 53.994 3.706 -1.312
149 1HB TRP 22 2HB TRP 22 51.037 3.150 -1.584
150 2HB TRP 22 1HB TRP 22 51.778 4.718 -1.867
151 HD1 TRP 22 HD1 TRP 22 53.322 1.443 -3.144
152 HE1 TRP 22 HE1 TRP 22 53.294 1.475 -5.696
153 HE3 TRP 22 HE3 TRP 22 50.621 5.710 -3.852
154 HZ2 TRP 22 HZ2 TRP 22 52.263 3.108 -7.774
155 HZ3 TRP 22 HZ3 TRP 22 50.153 6.442 -6.153
156 HH2 TRP 22 HH2 TRP 22 50.956 5.167 -8.075
157 H THR 23 H THR 23 52.366 2.101 1.201
158 HA THR 23 HA THR 23 51.609 4.548 2.560
159 HB THR 23 HB THR 23 49.837 3.175 2.935
160 HG1 THR 23 HG1 THR 23 50.905 3.672 5.001
161 1HG2 THR 23 1HG2 THR 23 51.679 0.783 3.136
162 2HG2 THR 23 2HG2 THR 23 50.757 1.247 1.708
163 3HG2 THR 23 3HG2 THR 23 49.917 0.747 3.176
164 H CYS 24 H CYS 24 53.006 1.653 3.964
165 HA CYS 24 HA CYS 24 54.300 3.079 6.024
166 1HB CYS 24 2HB CYS 24 54.621 0.194 5.197
167 2HB CYS 24 1HB CYS 24 55.091 0.898 6.740
168 H ASP 25 H ASP 25 55.373 4.249 3.858
169 HA ASP 25 HA ASP 25 57.970 2.923 3.392
170 1HB ASP 25 2HB ASP 25 56.342 4.585 1.460
171 2HB ASP 25 1HB ASP 25 57.932 3.903 1.123
172 H LEU 26 H LEU 26 57.003 5.072 5.299
173 HA LEU 26 HA LEU 26 58.072 6.727 6.412
174 1HB LEU 26 2HB LEU 26 60.166 6.435 4.259
175 2HB LEU 26 1HB LEU 26 60.303 7.553 5.604
176 HG LEU 26 HG LEU 26 60.088 4.544 5.860
177 1HD1 LEU 26 1HD1 LEU 26 62.428 4.646 6.530
178 2HD1 LEU 26 2HD1 LEU 26 62.452 6.385 6.223
179 3HD1 LEU 26 3HD1 LEU 26 62.218 5.254 4.888
180 1HD2 LEU 26 1HD2 LEU 26 60.630 6.666 7.938
181 2HD2 LEU 26 2HD2 LEU 26 60.612 4.923 8.204
182 3HD2 LEU 26 3HD2 LEU 26 59.126 5.760 7.759
183 H ASP 27 H ASP 27 56.103 7.056 4.359
184 HA ASP 27 HA ASP 27 56.075 9.900 4.319
185 1HB ASP 27 2HB ASP 27 57.444 9.434 2.257
186 2HB ASP 27 1HB ASP 27 56.061 8.562 1.600
187 H ASP 28 H ASP 28 54.158 9.984 5.238
188 HA ASP 28 HA ASP 28 52.172 7.988 5.051
189 1HB ASP 28 2HB ASP 28 52.686 9.735 6.919
190 2HB ASP 28 1HB ASP 28 51.655 10.809 5.986
191 H ASP 29 H ASP 29 51.174 7.637 3.101
192 HA ASP 29 HA ASP 29 50.583 9.760 1.300
193 1HB ASP 29 2HB ASP 29 49.461 8.138 -0.104
194 2HB ASP 29 1HB ASP 29 50.961 7.448 0.481
195 H CYS 30 H CYS 30 48.585 7.734 3.341
196 HA CYS 30 HA CYS 30 47.380 9.889 4.554
197 1HB CYS 30 2HB CYS 30 45.006 9.556 3.794
198 2HB CYS 30 1HB CYS 30 46.069 10.349 2.642
199 H GLY 31 H GLY 31 46.075 6.745 3.504
200 1HA GLY 31 2HA GLY 31 45.025 5.100 4.716
201 2HA GLY 31 1HA GLY 31 46.242 5.402 5.950
202 H ASP 32 H ASP 32 45.819 6.796 7.609
203 HA ASP 32 HA ASP 32 43.134 8.008 7.746
204 1HB ASP 32 2HB ASP 32 43.260 5.869 9.138
205 2HB ASP 32 1HB ASP 32 44.447 6.696 10.142
206 H ARG 33 H ARG 33 45.596 9.041 6.922
207 HA ARG 33 HA ARG 33 47.030 10.785 7.174
208 1HB ARG 33 2HB ARG 33 45.514 11.450 9.707
209 2HB ARG 33 1HB ARG 33 46.537 12.529 8.756
210 1HG ARG 33 2HG ARG 33 44.953 12.896 7.211
211 2HG ARG 33 1HG ARG 33 44.366 11.229 7.291
212 1HD ARG 33 2HD ARG 33 43.816 13.363 9.365
213 2HD ARG 33 1HD ARG 33 42.697 12.895 8.085
214 HE ARG 33 HE ARG 33 43.626 10.769 9.860
215 1HH1 ARG 33 1HH1 ARG 33 41.092 13.056 9.080
216 2HH1 ARG 33 2HH1 ARG 33 39.864 12.189 9.935
217 1HH2 ARG 33 1HH2 ARG 33 42.019 9.608 10.997
218 2HH2 ARG 33 2HH2 ARG 33 40.389 10.217 11.023
219 H SER 34 H SER 34 47.176 8.170 8.301
220 HA SER 34 HA SER 34 49.589 8.272 9.757
221 1HB SER 34 2HB SER 34 47.077 7.448 11.246
222 2HB SER 34 1HB SER 34 48.714 7.123 11.810
223 HG SER 34 HG SER 34 48.389 9.737 11.175
224 H ASP 35 H ASP 35 48.288 7.126 7.349
225 HA ASP 35 HA ASP 35 47.581 4.468 7.436
226 1HB ASP 35 2HB ASP 35 48.597 4.132 5.235
227 2HB ASP 35 1HB ASP 35 47.685 5.633 5.320
228 H GLU 36 H GLU 36 50.808 5.710 7.724
229 HA GLU 36 HA GLU 36 51.755 2.967 8.171
230 1HB GLU 36 2HB GLU 36 53.987 3.790 7.629
231 2HB GLU 36 1HB GLU 36 52.854 4.099 6.323
232 1HG GLU 36 2HG GLU 36 52.959 6.352 6.574
233 2HG GLU 36 1HG GLU 36 53.257 6.257 8.309
234 H SER 37 H SER 37 51.826 6.195 9.418
235 HA SER 37 HA SER 37 53.809 5.820 11.369
236 1HB SER 37 2HB SER 37 52.768 7.971 12.335
237 2HB SER 37 1HB SER 37 53.415 8.037 10.695
238 HG SER 37 HG SER 37 51.458 8.281 9.908
239 H ALA 38 H ALA 38 50.321 5.370 11.494
240 HA ALA 38 HA ALA 38 50.604 4.612 14.328
241 1HB ALA 38 1HB ALA 38 49.035 6.463 13.879
242 2HB ALA 38 2HB ALA 38 48.257 5.059 14.611
243 3HB ALA 38 3HB ALA 38 48.070 5.373 12.885
244 H SER 39 H SER 39 50.673 3.156 11.455
245 HA SER 39 HA SER 39 49.014 0.900 12.362
246 1HB SER 39 2HB SER 39 49.731 1.507 9.492
247 2HB SER 39 1HB SER 39 48.558 0.329 10.084
248 HG SER 39 HG SER 39 48.148 2.864 9.468
249 H CYS 40 H CYS 40 52.032 1.705 10.546
250 HA CYS 40 HA CYS 40 52.783 -1.087 10.762
251 1HB CYS 40 2HB CYS 40 53.698 1.248 9.163
252 2HB CYS 40 1HB CYS 40 54.862 -0.042 9.484
253 H ALA 41 H ALA 41 53.448 -1.557 12.783
254 HA ALA 41 HA ALA 41 55.470 0.028 14.096
255 1HB ALA 41 1HB ALA 41 55.567 -1.802 15.713
256 2HB ALA 41 2HB ALA 41 54.549 -2.796 14.673
257 3HB ALA 41 3HB ALA 41 53.892 -1.333 15.403
258 H TYR 42 H TYR 42 57.080 0.209 12.572
259 HA TYR 42 HA TYR 42 57.905 -1.758 10.783
260 1HB TYR 42 2HB TYR 42 59.423 0.646 11.813
261 2HB TYR 42 1HB TYR 42 59.883 -0.303 10.407
262 HD1 TYR 42 HD1 TYR 42 57.247 1.951 11.755
263 HD2 TYR 42 HD2 TYR 42 58.885 0.089 8.290
264 HE1 TYR 42 HE1 TYR 42 55.878 3.397 10.329
265 HE2 TYR 42 HE2 TYR 42 57.483 1.522 6.862
266 HH TYR 42 HH TYR 42 55.952 4.270 7.984
267 HA PRO 43 HA PRO 43 60.639 -4.042 13.561
268 1HB PRO 43 2HB PRO 43 60.406 -6.417 12.326
269 2HB PRO 43 1HB PRO 43 59.155 -5.811 13.415
270 1HG PRO 43 2HG PRO 43 59.188 -5.933 10.443
271 2HG PRO 43 1HG PRO 43 57.824 -6.094 11.562
272 1HD PRO 43 2HD PRO 43 58.527 -3.788 10.116
273 2HD PRO 43 1HD PRO 43 57.385 -3.869 11.470
274 H THR 44 H THR 44 60.514 -4.145 10.043
275 HA THR 44 HA THR 44 63.318 -3.500 9.843
276 HB THR 44 HB THR 44 63.305 -5.988 9.981
277 HG1 THR 44 HG1 THR 44 64.037 -4.880 7.456
278 1HG2 THR 44 1HG2 THR 44 61.715 -5.838 7.416
279 2HG2 THR 44 2HG2 THR 44 61.125 -6.426 8.971
280 3HG2 THR 44 3HG2 THR 44 62.399 -7.302 8.124
281 H CYS 45 H CYS 45 60.509 -2.581 9.185
282 HA CYS 45 HA CYS 45 59.300 -1.574 7.565
283 1HB CYS 45 2HB CYS 45 61.994 -1.304 6.217
284 2HB CYS 45 1HB CYS 45 60.541 -0.411 5.781
285 H PHE 46 H PHE 46 58.258 -3.605 7.158
286 HA PHE 46 HA PHE 46 58.138 -4.229 4.419
287 1HB PHE 46 2HB PHE 46 60.131 -5.493 4.683
288 2HB PHE 46 1HB PHE 46 59.590 -6.180 6.204
289 HD1 PHE 46 HD1 PHE 46 59.439 -8.427 6.013
290 HD2 PHE 46 HD2 PHE 46 57.995 -6.043 2.774
291 HE1 PHE 46 HE1 PHE 46 58.686 -10.458 4.851
292 HE2 PHE 46 HE2 PHE 46 57.254 -8.079 1.625
293 HZ PHE 46 HZ PHE 46 57.600 -10.288 2.660
294 HA PRO 47 HA PRO 47 54.355 -5.684 6.471
295 1HB PRO 47 2HB PRO 47 52.692 -3.736 5.751
296 2HB PRO 47 1HB PRO 47 53.796 -3.515 7.114
297 1HG PRO 47 2HG PRO 47 53.943 -2.401 4.360
298 2HG PRO 47 1HG PRO 47 54.510 -1.702 5.884
299 1HD PRO 47 2HD PRO 47 56.048 -3.089 3.943
300 2HD PRO 47 1HD PRO 47 56.581 -2.536 5.543
301 H LEU 48 H LEU 48 55.562 -5.048 3.435
302 HA LEU 48 HA LEU 48 53.635 -6.755 2.127
303 1HB LEU 48 2HB LEU 48 52.545 -4.605 1.833
304 2HB LEU 48 1HB LEU 48 54.037 -3.888 1.235
305 HG LEU 48 HG LEU 48 53.930 -5.755 -0.551
306 1HD1 LEU 48 1HD1 LEU 48 51.049 -5.630 0.317
307 2HD1 LEU 48 2HD1 LEU 48 52.125 -7.025 0.416
308 3HD1 LEU 48 3HD1 LEU 48 51.641 -6.395 -1.160
309 1HD2 LEU 48 1HD2 LEU 48 52.517 -4.301 -2.000
310 2HD2 LEU 48 2HD2 LEU 48 53.784 -3.439 -1.126
311 3HD2 LEU 48 3HD2 LEU 48 52.116 -3.345 -0.566
312 H THR 49 H THR 49 56.202 -4.417 1.421
313 HA THR 49 HA THR 49 57.872 -6.147 -0.003
314 HB THR 49 HB THR 49 55.537 -5.006 -1.449
315 HG1 THR 49 HG1 THR 49 55.950 -7.291 -1.000
316 1HG2 THR 49 1HG2 THR 49 56.687 -5.063 -3.602
317 2HG2 THR 49 2HG2 THR 49 58.228 -5.250 -2.760
318 3HG2 THR 49 3HG2 THR 49 57.271 -3.781 -2.547
319 H GLN 50 H GLN 50 59.488 -5.008 0.905
320 HA GLN 50 HA GLN 50 60.115 -2.383 -0.155
321 1HB GLN 50 2HB GLN 50 60.113 -2.777 2.839
322 2HB GLN 50 1HB GLN 50 60.423 -1.294 1.955
323 1HG GLN 50 2HG GLN 50 58.034 -1.342 1.217
324 2HG GLN 50 1HG GLN 50 57.788 -2.699 2.317
325 1HE2 GLN 50 1HE2 GLN 50 58.158 0.700 2.013
326 2HE2 GLN 50 2HE2 GLN 50 57.916 1.080 3.688
327 H PHE 51 H PHE 51 62.302 -1.716 0.999
328 HA PHE 51 HA PHE 51 63.931 -4.092 1.547
329 1HB PHE 51 2HB PHE 51 64.271 -3.307 -0.818
330 2HB PHE 51 1HB PHE 51 64.806 -1.759 -0.181
331 HD1 PHE 51 HD1 PHE 51 67.045 -1.443 0.506
332 HD2 PHE 51 HD2 PHE 51 65.598 -5.366 -0.276
333 HE1 PHE 51 HE1 PHE 51 69.337 -2.310 0.649
334 HE2 PHE 51 HE2 PHE 51 67.889 -6.234 -0.151
335 HZ PHE 51 HZ PHE 51 69.763 -4.714 0.324
336 H THR 52 H THR 52 65.661 -3.683 3.000
337 HA THR 52 HA THR 52 65.259 -1.242 4.569
338 HB THR 52 HB THR 52 66.800 -3.630 5.537
339 HG1 THR 52 HG1 THR 52 63.989 -3.366 5.905
340 1HG2 THR 52 1HG2 THR 52 65.064 -1.587 6.921
341 2HG2 THR 52 2HG2 THR 52 66.825 -1.572 6.861
342 3HG2 THR 52 3HG2 THR 52 65.982 -2.866 7.713
343 H CYS 53 H CYS 53 66.624 0.225 3.642
344 HA CYS 53 HA CYS 53 69.142 -0.397 2.564
345 1HB CYS 53 2HB CYS 53 67.845 1.630 2.066
346 2HB CYS 53 1HB CYS 53 68.207 2.226 3.683
347 H ASN 54 H ASN 54 71.113 -0.545 3.361
348 HA ASN 54 HA ASN 54 71.465 -1.004 6.142
349 1HB ASN 54 2HB ASN 54 73.449 -0.777 3.873
350 2HB ASN 54 1HB ASN 54 73.881 -1.270 5.509
351 1HD2 ASN 54 1HD2 ASN 54 72.029 -2.114 2.656
352 2HD2 ASN 54 2HD2 ASN 54 71.926 -3.808 2.996
353 H ASN 55 H ASN 55 71.697 1.778 4.170
354 HA ASN 55 HA ASN 55 73.329 3.419 5.731
355 1HB ASN 55 2HB ASN 55 72.742 4.169 3.556
356 2HB ASN 55 1HB ASN 55 71.024 3.961 3.866
357 1HD2 ASN 55 1HD2 ASN 55 73.841 5.947 4.497
358 2HD2 ASN 55 2HD2 ASN 55 72.953 7.356 4.990
359 H GLY 56 H GLY 56 70.188 2.141 6.263
360 1HA GLY 56 2HA GLY 56 69.470 2.093 8.609
361 2HA GLY 56 1HA GLY 56 69.936 3.789 8.705
362 H ARG 57 H ARG 57 68.793 3.645 5.780
363 HA ARG 57 HA ARG 57 66.157 4.588 6.588
364 1HB ARG 57 2HB ARG 57 66.550 6.156 5.049
365 2HB ARG 57 1HB ARG 57 68.096 5.409 4.694
366 1HG ARG 57 2HG ARG 57 66.017 3.985 3.359
367 2HG ARG 57 1HG ARG 57 65.887 5.712 3.001
368 1HD ARG 57 2HD ARG 57 68.159 3.821 2.475
369 2HD ARG 57 1HD ARG 57 67.326 4.890 1.351
370 HE ARG 57 HE ARG 57 68.861 6.163 3.474
371 1HH1 ARG 57 1HH1 ARG 57 68.669 5.217 0.100
372 2HH1 ARG 57 2HH1 ARG 57 70.026 6.181 -0.384
373 1HH2 ARG 57 1HH2 ARG 57 70.668 7.425 2.839
374 2HH2 ARG 57 2HH2 ARG 57 71.167 7.428 1.177
375 H CYS 58 H CYS 58 64.254 3.834 5.381
376 HA CYS 58 HA CYS 58 64.633 1.099 4.368
377 1HB CYS 58 2HB CYS 58 62.086 2.427 5.327
378 2HB CYS 58 1HB CYS 58 62.288 0.731 4.897
379 H ILE 59 H ILE 59 64.428 0.802 2.233
380 HA ILE 59 HA ILE 59 63.012 2.874 0.745
381 HB ILE 59 HB ILE 59 64.324 2.268 -1.255
382 1HG1 ILE 59 2HG1 ILE 59 65.961 0.593 0.664
383 2HG1 ILE 59 1HG1 ILE 59 64.944 -0.026 -0.633
384 1HG2 ILE 59 1HG2 ILE 59 64.968 4.164 0.101
385 2HG2 ILE 59 2HG2 ILE 59 66.392 3.369 -0.569
386 3HG2 ILE 59 3HG2 ILE 59 65.961 3.122 1.122
387 1HD1 ILE 59 1HD1 ILE 59 67.397 1.686 -0.969
388 2HD1 ILE 59 2HD1 ILE 59 66.370 1.100 -2.277
389 3HD1 ILE 59 3HD1 ILE 59 67.274 -0.044 -1.283
390 H ASN 60 H ASN 60 62.584 1.638 -1.676
391 HA ASN 60 HA ASN 60 60.664 -0.412 -0.850
392 1HB ASN 60 2HB ASN 60 61.013 0.836 -3.587
393 2HB ASN 60 1HB ASN 60 59.682 -0.191 -3.067
394 1HD2 ASN 60 1HD2 ASN 60 58.151 0.652 -1.600
395 2HD2 ASN 60 2HD2 ASN 60 57.963 2.351 -1.372
396 H ILE 61 H ILE 61 60.471 -2.383 -2.209
397 HA ILE 61 HA ILE 61 63.049 -3.605 -2.472
398 HB ILE 61 HB ILE 61 60.550 -4.543 -1.865
399 1HG1 ILE 61 2HG1 ILE 61 62.686 -5.551 -1.209
400 2HG1 ILE 61 1HG1 ILE 61 61.568 -6.765 -1.810
401 1HG2 ILE 61 1HG2 ILE 61 59.884 -6.159 -3.550
402 2HG2 ILE 61 2HG2 ILE 61 61.165 -5.586 -4.620
403 3HG2 ILE 61 3HG2 ILE 61 59.830 -4.517 -4.192
404 1HD1 ILE 61 1HD1 ILE 61 62.758 -6.776 -3.954
405 2HD1 ILE 61 2HD1 ILE 61 63.806 -7.192 -2.598
406 3HD1 ILE 61 3HD1 ILE 61 63.888 -5.584 -3.313
407 H ASN 62 H ASN 62 61.277 -1.646 -4.436
408 HA ASN 62 HA ASN 62 62.094 -2.897 -6.956
409 1HB ASN 62 2HB ASN 62 60.203 -0.595 -6.410
410 2HB ASN 62 1HB ASN 62 60.621 -1.175 -8.015
411 1HD2 ASN 62 1HD2 ASN 62 58.593 -1.773 -8.576
412 2HD2 ASN 62 2HD2 ASN 62 57.751 -3.097 -7.855
413 H TRP 63 H TRP 63 64.044 -1.621 -5.207
414 HA TRP 63 HA TRP 63 64.741 0.777 -6.777
415 1HB TRP 63 2HB TRP 63 65.460 -0.064 -3.975
416 2HB TRP 63 1HB TRP 63 66.395 1.158 -4.830
417 HD1 TRP 63 HD1 TRP 63 62.538 0.737 -4.604
418 HE1 TRP 63 HE1 TRP 63 61.545 2.957 -3.748
419 HE3 TRP 63 HE3 TRP 63 66.860 3.323 -3.883
420 HZ2 TRP 63 HZ2 TRP 63 62.477 5.467 -2.884
421 HZ3 TRP 63 HZ3 TRP 63 66.738 5.636 -3.051
422 HH2 TRP 63 HH2 TRP 63 64.589 6.690 -2.560
423 H ARG 64 H ARG 64 65.170 -2.257 -7.094
424 HA ARG 64 HA ARG 64 67.993 -2.571 -7.438
425 1HB ARG 64 2HB ARG 64 65.842 -4.049 -8.963
426 2HB ARG 64 1HB ARG 64 67.468 -4.598 -8.598
427 1HG ARG 64 2HG ARG 64 65.583 -4.080 -6.358
428 2HG ARG 64 1HG ARG 64 65.402 -5.545 -7.322
429 1HD ARG 64 2HD ARG 64 67.905 -5.889 -6.895
430 2HD ARG 64 1HD ARG 64 67.719 -4.677 -5.628
431 HE ARG 64 HE ARG 64 65.749 -6.456 -5.088
432 1HH1 ARG 64 1HH1 ARG 64 69.157 -6.835 -5.730
433 2HH1 ARG 64 2HH1 ARG 64 69.392 -8.069 -4.531
434 1HH2 ARG 64 1HH2 ARG 64 66.016 -8.144 -3.537
435 2HH2 ARG 64 2HH2 ARG 64 67.583 -8.845 -3.306
436 H CYS 65 H CYS 65 68.912 -0.981 -8.787
437 HA CYS 65 HA CYS 65 67.548 -0.499 -11.324
438 1HB CYS 65 2HB CYS 65 69.112 1.367 -11.634
439 2HB CYS 65 1HB CYS 65 68.238 1.492 -10.113
440 H ASP 66 H ASP 66 70.236 -2.135 -10.017
441 HA ASP 66 HA ASP 66 70.821 -3.191 -12.662
442 1HB ASP 66 2HB ASP 66 73.278 -3.017 -12.281
443 2HB ASP 66 1HB ASP 66 72.477 -1.468 -12.484
444 H ASN 67 H ASN 67 71.791 -3.491 -9.214
445 HA ASN 67 HA ASN 67 71.467 -6.370 -9.585
446 1HB ASN 67 2HB ASN 67 73.854 -5.863 -9.478
447 2HB ASN 67 1HB ASN 67 73.618 -5.047 -7.937
448 1HD2 ASN 67 1HD2 ASN 67 73.547 -6.204 -6.097
449 2HD2 ASN 67 2HD2 ASN 67 73.712 -7.932 -6.028
450 H ASP 68 H ASP 68 72.079 -4.258 -6.744
451 HA ASP 68 HA ASP 68 69.688 -5.501 -5.548
452 1HB ASP 68 2HB ASP 68 72.125 -5.619 -4.458
453 2HB ASP 68 1HB ASP 68 71.642 -4.045 -3.828
454 H ASN 69 H ASN 69 69.665 -3.385 -3.422
455 HA ASN 69 HA ASN 69 67.950 -1.677 -5.096
456 1HB ASN 69 2HB ASN 69 67.787 -2.340 -2.153
457 2HB ASN 69 1HB ASN 69 66.698 -1.239 -2.990
458 1HD2 ASN 69 1HD2 ASN 69 67.745 -4.536 -2.647
459 2HD2 ASN 69 2HD2 ASN 69 66.334 -5.250 -3.356
460 H ASP 70 H ASP 70 68.533 0.242 -5.460
461 HA ASP 70 HA ASP 70 70.977 1.266 -4.715
462 1HB ASP 70 2HB ASP 70 69.577 1.788 -6.753
463 2HB ASP 70 1HB ASP 70 68.696 2.923 -5.729
464 H CYS 71 H CYS 71 71.683 2.183 -3.013
465 HA CYS 71 HA CYS 71 69.997 4.183 -1.658
466 1HB CYS 71 2HB CYS 71 72.156 2.409 -0.527
467 2HB CYS 71 1HB CYS 71 71.501 3.803 0.324
468 H GLY 72 H GLY 72 72.955 3.408 -3.238
469 1HA GLY 72 2HA GLY 72 74.640 4.771 -4.010
470 2HA GLY 72 1HA GLY 72 73.782 6.151 -3.335
471 H ASP 73 H ASP 73 74.091 3.806 -0.988
472 HA ASP 73 HA ASP 73 76.669 4.746 -0.035
473 1HB ASP 73 2HB ASP 73 75.242 6.436 0.882
474 2HB ASP 73 1HB ASP 73 74.081 5.235 1.441
475 H ASN 74 H ASN 74 77.119 2.518 -0.480
476 HA ASN 74 HA ASN 74 77.954 0.589 0.376
477 1HB ASN 74 2HB ASN 74 77.344 2.018 2.962
478 2HB ASN 74 1HB ASN 74 78.264 0.519 2.864
479 1HD2 ASN 74 1HD2 ASN 74 78.285 3.941 2.358
480 2HD2 ASN 74 2HD2 ASN 74 79.969 4.066 1.972
481 H SER 75 H SER 75 74.833 0.912 0.210
482 HA SER 75 HA SER 75 74.057 -1.137 2.102
483 1HB SER 75 2HB SER 75 72.634 0.859 1.808
484 2HB SER 75 1HB SER 75 72.367 0.392 0.128
485 HG SER 75 HG SER 75 70.998 -1.101 0.747
486 H ASP 76 H ASP 76 72.778 -0.750 -1.067
487 HA ASP 76 HA ASP 76 72.480 -3.416 -1.741
488 1HB ASP 76 2HB ASP 76 72.475 -2.363 -4.133
489 2HB ASP 76 1HB ASP 76 71.244 -1.855 -2.972
490 H GLU 77 H GLU 77 74.871 -1.161 -2.966
491 HA GLU 77 HA GLU 77 77.110 -2.818 -2.954
492 1HB GLU 77 2HB GLU 77 77.324 -3.333 -5.374
493 2HB GLU 77 1HB GLU 77 76.007 -4.201 -4.601
494 1HG GLU 77 2HG GLU 77 75.215 -1.648 -5.817
495 2HG GLU 77 1HG GLU 77 75.824 -2.847 -6.958
496 H ALA 78 H ALA 78 75.359 -0.120 -4.139
497 HA ALA 78 HA ALA 78 75.960 2.033 -4.527
498 1HB ALA 78 1HB ALA 78 78.251 2.829 -4.196
499 2HB ALA 78 2HB ALA 78 78.810 1.165 -4.019
500 3HB ALA 78 3HB ALA 78 77.714 1.858 -2.825
501 H GLY 79 H GLY 79 75.561 0.067 -6.469
502 1HA GLY 79 2HA GLY 79 77.526 0.491 -8.564
503 2HA GLY 79 1HA GLY 79 76.096 -0.524 -8.661
504 H CYS 80 H CYS 80 74.678 0.146 -10.087
505 HA CYS 80 HA CYS 80 73.496 1.474 -11.507
506 1HB CYS 80 2HB CYS 80 73.049 2.370 -8.915
507 2HB CYS 80 1HB CYS 80 73.382 3.848 -9.813
508 H SER 81 H SER 81 76.431 1.677 -11.521
509 HA SER 81 HA SER 81 77.134 4.426 -11.880
510 1HB SER 81 2HB SER 81 78.735 1.965 -12.595
511 2HB SER 81 1HB SER 81 79.355 3.592 -12.308
512 HG SER 81 HG SER 81 77.951 2.950 -10.177
513 H HIS 82 HN HIS 82 76.281 1.767 -13.982
514 HA HIS 82 HA HIS 82 75.808 1.624 -16.184
515 1HB HIS 82 2HB HIS 82 75.752 4.639 -15.976
516 2HB HIS 82 1HB HIS 82 75.318 3.757 -17.436
517 HD1 HIS 82 HD1 HIS 82 74.095 4.359 -13.897
518 HD2 HIS 82 HD2 HIS 82 72.814 2.647 -17.464
519 HE1 HIS 82 HE1 HIS 82 71.629 3.883 -13.615
Start of MODEL 14
1 1H SER 1 1HT SER 1 34.431 -4.176 -2.613
2 2H SER 1 2HT SER 1 35.583 -5.043 -3.499
3 3H SER 1 3HT SER 1 36.075 -3.844 -2.405
4 HA SER 1 HA SER 1 34.707 -6.367 -1.709
5 1HB SER 1 2HB SER 1 37.545 -5.533 -1.065
6 2HB SER 1 1HB SER 1 36.799 -7.112 -0.809
7 HG SER 1 HG SER 1 36.971 -7.564 -2.898
8 H ALA 2 H ALA 2 36.922 -4.120 -0.044
9 HA ALA 2 HA ALA 2 34.828 -3.736 1.990
10 1HB ALA 2 1HB ALA 2 36.617 -5.211 2.807
11 2HB ALA 2 2HB ALA 2 36.564 -3.690 3.697
12 3HB ALA 2 3HB ALA 2 37.803 -3.951 2.468
13 H ARG 3 H ARG 3 35.702 -1.779 3.483
14 HA ARG 3 HA ARG 3 35.698 0.505 1.706
15 1HB ARG 3 2HB ARG 3 34.360 0.251 3.895
16 2HB ARG 3 1HB ARG 3 35.875 0.592 4.718
17 1HG ARG 3 2HG ARG 3 35.981 2.727 3.370
18 2HG ARG 3 1HG ARG 3 34.315 2.395 2.892
19 1HD ARG 3 2HD ARG 3 34.247 3.873 4.765
20 2HD ARG 3 1HD ARG 3 33.729 2.283 5.318
21 HE ARG 3 HE ARG 3 36.500 2.559 5.724
22 1HH1 ARG 3 1HH1 ARG 3 33.453 3.753 7.002
23 2HH1 ARG 3 2HH1 ARG 3 34.109 4.067 8.581
24 1HH2 ARG 3 1HH2 ARG 3 37.339 2.990 7.807
25 2HH2 ARG 3 2HH2 ARG 3 36.296 3.625 9.045
26 H THR 4 H THR 4 38.091 -1.327 2.122
27 HA THR 4 HA THR 4 40.058 0.804 2.462
28 HB THR 4 HB THR 4 40.003 -0.302 4.627
29 HG1 THR 4 HG1 THR 4 42.275 -1.051 3.080
30 1HG2 THR 4 1HG2 THR 4 40.510 -2.675 4.893
31 2HG2 THR 4 2HG2 THR 4 40.574 -2.867 3.140
32 3HG2 THR 4 3HG2 THR 4 39.053 -2.447 3.928
33 H CYS 5 H CYS 5 38.933 -0.497 0.154
34 HA CYS 5 HA CYS 5 39.587 -1.289 -1.863
35 1HB CYS 5 2HB CYS 5 42.284 -0.951 -0.578
36 2HB CYS 5 1HB CYS 5 42.125 -1.682 -2.174
37 HA PRO 6 HA PRO 6 39.805 -5.779 -1.743
38 1HB PRO 6 2HB PRO 6 42.255 -5.736 -3.433
39 2HB PRO 6 1HB PRO 6 40.742 -6.614 -3.670
40 1HG PRO 6 2HG PRO 6 41.286 -4.467 -5.132
41 2HG PRO 6 1HG PRO 6 39.640 -4.753 -4.530
42 1HD PRO 6 2HD PRO 6 41.725 -2.854 -3.534
43 2HD PRO 6 1HD PRO 6 39.969 -2.632 -3.672
44 HA PRO 7 HA PRO 7 42.585 -7.000 1.460
45 1HB PRO 7 2HB PRO 7 42.903 -9.625 0.117
46 2HB PRO 7 1HB PRO 7 42.309 -9.254 1.739
47 1HG PRO 7 2HG PRO 7 40.643 -10.023 -0.202
48 2HG PRO 7 1HG PRO 7 40.164 -8.797 0.988
49 1HD PRO 7 2HD PRO 7 41.046 -8.457 -1.851
50 2HD PRO 7 1HD PRO 7 39.776 -7.597 -0.957
51 H ASN 8 H ASN 8 43.618 -7.577 -1.845
52 HA ASN 8 HA ASN 8 46.421 -7.811 -1.052
53 1HB ASN 8 2HB ASN 8 45.217 -9.188 -2.925
54 2HB ASN 8 1HB ASN 8 45.447 -7.741 -3.899
55 1HD2 ASN 8 1HD2 ASN 8 47.527 -7.147 -4.515
56 2HD2 ASN 8 2HD2 ASN 8 48.861 -8.236 -4.399
57 H GLN 9 H GLN 9 44.640 -5.371 -0.898
58 HA GLN 9 HA GLN 9 46.385 -3.494 -2.297
59 1HB GLN 9 2HB GLN 9 43.660 -4.056 -3.000
60 2HB GLN 9 1HB GLN 9 43.758 -2.430 -2.347
61 1HG GLN 9 2HG GLN 9 44.010 -2.248 -4.682
62 2HG GLN 9 1HG GLN 9 45.597 -1.975 -3.971
63 1HE2 GLN 9 1HE2 GLN 9 44.180 -5.153 -4.275
64 2HE2 GLN 9 2HE2 GLN 9 45.260 -5.733 -5.484
65 H PHE 10 H PHE 10 45.719 -1.225 -1.588
66 HA PHE 10 HA PHE 10 44.813 -1.140 1.187
67 1HB PHE 10 2HB PHE 10 47.222 -1.205 1.356
68 2HB PHE 10 1HB PHE 10 47.392 0.010 0.096
69 HD1 PHE 10 HD1 PHE 10 45.852 -0.425 3.470
70 HD2 PHE 10 HD2 PHE 10 47.770 2.196 0.711
71 HE1 PHE 10 HE1 PHE 10 45.896 1.355 5.179
72 HE2 PHE 10 HE2 PHE 10 47.797 3.953 2.394
73 HZ PHE 10 HZ PHE 10 46.881 3.554 4.626
74 H SER 11 H SER 11 43.938 0.936 1.736
75 HA SER 11 HA SER 11 43.122 2.420 -0.613
76 1HB SER 11 2HB SER 11 41.312 1.269 0.697
77 2HB SER 11 1HB SER 11 41.699 2.337 2.049
78 HG SER 11 HG SER 11 41.184 3.471 -0.463
79 H CYS 12 H CYS 12 44.451 4.071 -0.818
80 HA CYS 12 HA CYS 12 45.577 5.643 1.182
81 1HB CYS 12 2HB CYS 12 46.258 5.820 -1.153
82 2HB CYS 12 1HB CYS 12 44.671 6.428 -1.594
83 H ALA 13 H ALA 13 44.921 7.558 2.149
84 HA ALA 13 HA ALA 13 42.848 7.528 3.696
85 1HB ALA 13 1HB ALA 13 43.593 10.097 2.334
86 2HB ALA 13 2HB ALA 13 44.514 9.337 3.635
87 3HB ALA 13 3HB ALA 13 42.873 9.914 3.934
88 H SER 14 H SER 14 40.997 6.645 3.058
89 HA SER 14 HA SER 14 38.887 6.468 2.283
90 1HB SER 14 2HB SER 14 37.526 8.547 2.715
91 2HB SER 14 1HB SER 14 38.483 7.961 4.074
92 HG SER 14 HG SER 14 39.752 9.785 2.431
93 H GLY 15 H GLY 15 39.692 6.071 0.030
94 1HA GLY 15 2HA GLY 15 37.845 6.712 -1.731
95 2HA GLY 15 1HA GLY 15 38.764 8.211 -1.747
96 H ARG 16 H ARG 16 41.342 6.913 -1.432
97 HA ARG 16 HA ARG 16 41.623 6.276 -4.262
98 1HB ARG 16 2HB ARG 16 43.672 7.016 -2.168
99 2HB ARG 16 1HB ARG 16 44.078 6.585 -3.821
100 1HG ARG 16 2HG ARG 16 44.075 8.940 -3.740
101 2HG ARG 16 1HG ARG 16 42.593 8.476 -4.573
102 1HD ARG 16 2HD ARG 16 41.521 8.641 -2.202
103 2HD ARG 16 1HD ARG 16 42.951 9.602 -1.818
104 HE ARG 16 HE ARG 16 42.120 10.843 -4.006
105 1HH1 ARG 16 1HH1 ARG 16 40.326 9.778 -1.198
106 2HH1 ARG 16 2HH1 ARG 16 39.050 10.924 -1.419
107 1HH2 ARG 16 1HH2 ARG 16 40.440 12.364 -4.311
108 2HH2 ARG 16 2HH2 ARG 16 39.091 12.376 -3.211
109 H CYS 17 H CYS 17 43.274 4.559 -4.830
110 HA CYS 17 HA CYS 17 43.094 2.280 -3.008
111 1HB CYS 17 2HB CYS 17 41.224 2.505 -4.924
112 2HB CYS 17 1HB CYS 17 42.498 1.746 -5.873
113 H ILE 18 H ILE 18 45.080 1.487 -2.827
114 HA ILE 18 HA ILE 18 46.911 1.626 -5.130
115 HB ILE 18 HB ILE 18 48.734 2.372 -3.721
116 1HG1 ILE 18 2HG1 ILE 18 47.773 3.153 -1.306
117 2HG1 ILE 18 1HG1 ILE 18 46.866 1.668 -1.555
118 1HG2 ILE 18 1HG2 ILE 18 47.194 4.098 -4.596
119 2HG2 ILE 18 2HG2 ILE 18 48.001 4.576 -3.102
120 3HG2 ILE 18 3HG2 ILE 18 46.321 4.041 -3.061
121 1HD1 ILE 18 1HD1 ILE 18 48.856 1.197 -0.310
122 2HD1 ILE 18 2HD1 ILE 18 49.853 1.979 -1.532
123 3HD1 ILE 18 3HD1 ILE 18 49.002 0.483 -1.917
124 HA PRO 19 HA PRO 19 47.571 -2.642 -3.965
125 1HB PRO 19 2HB PRO 19 50.276 -2.342 -5.147
126 2HB PRO 19 1HB PRO 19 48.969 -3.455 -5.586
127 1HG PRO 19 2HG PRO 19 49.507 -1.428 -7.194
128 2HG PRO 19 1HG PRO 19 47.815 -1.808 -6.805
129 1HD PRO 19 2HD PRO 19 49.600 0.257 -5.512
130 2HD PRO 19 1HD PRO 19 47.990 0.497 -6.237
131 H ILE 20 H ILE 20 48.548 -3.794 -2.328
132 HA ILE 20 HA ILE 20 49.467 -2.457 -0.102
133 HB ILE 20 HB ILE 20 49.671 -5.311 -0.967
134 1HG1 ILE 20 2HG1 ILE 20 47.500 -4.383 -0.259
135 2HG1 ILE 20 1HG1 ILE 20 48.058 -5.657 0.823
136 1HG2 ILE 20 1HG2 ILE 20 50.698 -4.252 1.659
137 2HG2 ILE 20 2HG2 ILE 20 51.674 -4.956 0.370
138 3HG2 ILE 20 3HG2 ILE 20 50.504 -5.952 1.237
139 1HD1 ILE 20 1HD1 ILE 20 48.274 -2.698 1.347
140 2HD1 ILE 20 2HD1 ILE 20 48.776 -3.990 2.440
141 3HD1 ILE 20 3HD1 ILE 20 47.072 -3.785 2.044
142 H SER 21 H SER 21 51.289 -3.434 -2.860
143 HA SER 21 HA SER 21 53.883 -3.524 -1.679
144 1HB SER 21 2HB SER 21 54.535 -3.422 -4.166
145 2HB SER 21 1HB SER 21 53.559 -4.794 -3.638
146 HG SER 21 HG SER 21 52.633 -2.436 -4.921
147 H TRP 22 H TRP 22 52.239 -0.968 -1.438
148 HA TRP 22 HA TRP 22 54.142 0.910 -2.671
149 1HB TRP 22 2HB TRP 22 51.149 1.163 -2.577
150 2HB TRP 22 1HB TRP 22 52.220 2.479 -3.032
151 HD1 TRP 22 HD1 TRP 22 52.369 -1.191 -4.203
152 HE1 TRP 22 HE1 TRP 22 52.190 -1.222 -6.739
153 HE3 TRP 22 HE3 TRP 22 51.603 3.793 -5.006
154 HZ2 TRP 22 HZ2 TRP 22 51.779 0.623 -8.854
155 HZ3 TRP 22 HZ3 TRP 22 51.327 4.581 -7.324
156 HH2 TRP 22 HH2 TRP 22 51.410 3.025 -9.206
157 H THR 23 H THR 23 52.007 0.328 0.015
158 HA THR 23 HA THR 23 52.451 3.005 1.003
159 HB THR 23 HB THR 23 50.164 2.254 1.042
160 HG1 THR 23 HG1 THR 23 51.088 3.560 2.819
161 1HG2 THR 23 1HG2 THR 23 49.419 0.422 2.482
162 2HG2 THR 23 2HG2 THR 23 51.095 0.065 2.900
163 3HG2 THR 23 3HG2 THR 23 50.534 -0.152 1.242
164 H CYS 24 H CYS 24 53.119 -0.275 2.014
165 HA CYS 24 HA CYS 24 54.259 0.671 4.489
166 1HB CYS 24 2HB CYS 24 53.876 -2.161 3.530
167 2HB CYS 24 1HB CYS 24 54.389 -1.672 5.142
168 H ASP 25 H ASP 25 55.808 1.647 2.604
169 HA ASP 25 HA ASP 25 58.275 0.182 3.057
170 1HB ASP 25 2HB ASP 25 58.985 0.448 0.672
171 2HB ASP 25 1HB ASP 25 57.705 -0.726 0.933
172 H LEU 26 H LEU 26 56.842 2.736 3.734
173 HA LEU 26 HA LEU 26 57.590 4.634 4.659
174 1HB LEU 26 2HB LEU 26 60.221 3.911 3.401
175 2HB LEU 26 1HB LEU 26 59.975 5.402 4.288
176 HG LEU 26 HG LEU 26 59.642 2.625 5.422
177 1HD1 LEU 26 1HD1 LEU 26 61.661 3.148 6.718
178 2HD1 LEU 26 2HD1 LEU 26 61.821 4.671 5.842
179 3HD1 LEU 26 3HD1 LEU 26 61.982 3.140 4.986
180 1HD2 LEU 26 1HD2 LEU 26 58.151 4.207 6.485
181 2HD2 LEU 26 2HD2 LEU 26 59.488 5.327 6.744
182 3HD2 LEU 26 3HD2 LEU 26 59.469 3.776 7.578
183 H ASP 27 H ASP 27 55.962 5.399 3.265
184 HA ASP 27 HA ASP 27 55.213 7.308 2.274
185 1HB ASP 27 2HB ASP 27 57.107 8.549 3.050
186 2HB ASP 27 1HB ASP 27 58.150 7.835 1.829
187 H ASP 28 H ASP 28 54.175 7.441 0.424
188 HA ASP 28 HA ASP 28 55.404 7.782 -2.030
189 1HB ASP 28 2HB ASP 28 55.843 5.337 -1.995
190 2HB ASP 28 1HB ASP 28 54.106 5.052 -1.892
191 H ASP 29 H ASP 29 52.447 6.155 -0.849
192 HA ASP 29 HA ASP 29 50.905 7.823 -2.661
193 1HB ASP 29 2HB ASP 29 48.968 6.378 -1.961
194 2HB ASP 29 1HB ASP 29 50.276 5.540 -2.780
195 H CYS 30 H CYS 30 50.001 6.795 0.574
196 HA CYS 30 HA CYS 30 50.254 9.322 1.775
197 1HB CYS 30 2HB CYS 30 48.016 10.045 2.057
198 2HB CYS 30 1HB CYS 30 48.214 9.772 0.319
199 H GLY 31 H GLY 31 48.874 6.127 1.630
200 1HA GLY 31 2HA GLY 31 48.223 4.633 3.217
201 2HA GLY 31 1HA GLY 31 49.403 5.409 4.262
202 H ASP 32 H ASP 32 48.802 6.902 5.647
203 HA ASP 32 HA ASP 32 45.927 7.343 6.093
204 1HB ASP 32 2HB ASP 32 46.702 6.316 8.057
205 2HB ASP 32 1HB ASP 32 48.279 7.087 7.954
206 H ARG 33 H ARG 33 49.008 8.903 6.845
207 HA ARG 33 HA ARG 33 48.251 11.228 5.222
208 1HB ARG 33 2HB ARG 33 49.452 11.394 7.990
209 2HB ARG 33 1HB ARG 33 49.092 12.753 6.933
210 1HG ARG 33 2HG ARG 33 46.785 12.480 7.187
211 2HG ARG 33 1HG ARG 33 46.968 10.847 7.833
212 1HD ARG 33 2HD ARG 33 47.942 11.706 9.863
213 2HD ARG 33 1HD ARG 33 47.943 13.345 9.213
214 HE ARG 33 HE ARG 33 45.628 13.457 9.555
215 1HH1 ARG 33 1HH1 ARG 33 46.816 10.263 10.355
216 2HH1 ARG 33 2HH1 ARG 33 45.490 9.912 11.419
217 1HH2 ARG 33 1HH2 ARG 33 43.883 12.968 10.987
218 2HH2 ARG 33 2HH2 ARG 33 43.853 11.432 11.790
219 H SER 34 H SER 34 50.639 9.188 6.673
220 HA SER 34 HA SER 34 52.602 9.990 4.666
221 1HB SER 34 2HB SER 34 53.259 9.629 7.605
222 2HB SER 34 1HB SER 34 54.395 10.046 6.322
223 HG SER 34 HG SER 34 52.650 11.862 6.071
224 H ASP 35 H ASP 35 50.696 7.831 5.219
225 HA ASP 35 HA ASP 35 50.465 5.661 4.714
226 1HB ASP 35 2HB ASP 35 53.393 5.312 4.182
227 2HB ASP 35 1HB ASP 35 52.017 4.460 3.473
228 H GLU 36 H GLU 36 53.045 6.409 6.878
229 HA GLU 36 HA GLU 36 52.986 3.670 7.930
230 1HB GLU 36 2HB GLU 36 55.027 5.822 8.505
231 2HB GLU 36 1HB GLU 36 55.167 4.101 8.837
232 1HG GLU 36 2HG GLU 36 55.011 5.321 6.091
233 2HG GLU 36 1HG GLU 36 56.499 4.845 6.905
234 H SER 37 H SER 37 50.864 4.430 8.935
235 HA SER 37 HA SER 37 51.468 5.093 11.681
236 1HB SER 37 2HB SER 37 49.463 6.752 10.130
237 2HB SER 37 1HB SER 37 49.830 6.906 11.849
238 HG SER 37 HG SER 37 52.134 7.069 10.597
239 H ALA 38 H ALA 38 50.732 3.261 12.498
240 HA ALA 38 HA ALA 38 49.313 1.696 13.284
241 1HB ALA 38 1HB ALA 38 47.143 3.640 12.506
242 2HB ALA 38 2HB ALA 38 48.027 3.646 14.032
243 3HB ALA 38 3HB ALA 38 46.980 2.285 13.625
244 H SER 39 H SER 39 49.776 2.157 10.237
245 HA SER 39 HA SER 39 47.833 0.167 9.325
246 1HB SER 39 2HB SER 39 48.825 0.919 7.034
247 2HB SER 39 1HB SER 39 47.731 2.021 7.874
248 HG SER 39 HG SER 39 49.942 2.782 7.034
249 H CYS 40 H CYS 40 51.173 1.056 8.526
250 HA CYS 40 HA CYS 40 51.888 -1.751 8.327
251 1HB CYS 40 2HB CYS 40 53.653 0.635 7.803
252 2HB CYS 40 1HB CYS 40 53.759 -0.984 7.110
253 H ALA 41 H ALA 41 53.476 1.130 9.709
254 HA ALA 41 HA ALA 41 54.428 1.560 11.727
255 1HB ALA 41 1HB ALA 41 53.264 0.718 13.691
256 2HB ALA 41 2HB ALA 41 52.433 -0.480 12.700
257 3HB ALA 41 3HB ALA 41 52.116 1.240 12.456
258 H TYR 42 H TYR 42 55.668 -0.536 10.133
259 HA TYR 42 HA TYR 42 56.485 -2.659 11.845
260 1HB TYR 42 2HB TYR 42 58.281 -2.930 9.993
261 2HB TYR 42 1HB TYR 42 56.592 -3.201 9.580
262 HD1 TYR 42 HD1 TYR 42 55.424 -1.720 8.083
263 HD2 TYR 42 HD2 TYR 42 59.447 -0.920 9.205
264 HE1 TYR 42 HE1 TYR 42 55.597 -0.068 6.275
265 HE2 TYR 42 HE2 TYR 42 59.627 0.738 7.407
266 HH TYR 42 HH TYR 42 56.902 1.847 5.630
267 HA PRO 43 HA PRO 43 59.572 -0.157 13.907
268 1HB PRO 43 2HB PRO 43 59.941 -1.761 16.011
269 2HB PRO 43 1HB PRO 43 58.445 -0.841 15.812
270 1HG PRO 43 2HG PRO 43 58.975 -3.735 15.291
271 2HG PRO 43 1HG PRO 43 57.537 -2.962 15.984
272 1HD PRO 43 2HD PRO 43 57.816 -3.774 13.334
273 2HD PRO 43 1HD PRO 43 56.617 -2.612 13.931
274 H THR 44 H THR 44 60.027 -2.750 12.027
275 HA THR 44 HA THR 44 62.901 -2.862 12.559
276 HB THR 44 HB THR 44 61.954 -4.757 13.782
277 HG1 THR 44 HG1 THR 44 63.425 -5.339 11.428
278 1HG2 THR 44 1HG2 THR 44 59.898 -5.075 12.492
279 2HG2 THR 44 2HG2 THR 44 60.807 -6.583 12.597
280 3HG2 THR 44 3HG2 THR 44 60.841 -5.635 11.111
281 H CYS 45 H CYS 45 60.860 -1.905 10.457
282 HA CYS 45 HA CYS 45 60.594 -1.789 8.208
283 1HB CYS 45 2HB CYS 45 63.175 -1.790 8.303
284 2HB CYS 45 1HB CYS 45 63.062 -3.477 7.818
285 H PHE 46 H PHE 46 59.600 -3.035 6.539
286 HA PHE 46 HA PHE 46 58.949 -5.731 7.523
287 1HB PHE 46 2HB PHE 46 57.131 -3.970 7.637
288 2HB PHE 46 1HB PHE 46 57.139 -3.971 5.872
289 HD1 PHE 46 HD1 PHE 46 56.237 -5.797 4.634
290 HD2 PHE 46 HD2 PHE 46 56.376 -5.930 8.876
291 HE1 PHE 46 HE1 PHE 46 54.746 -7.741 4.596
292 HE2 PHE 46 HE2 PHE 46 54.884 -7.884 8.871
293 HZ PHE 46 HZ PHE 46 54.058 -8.800 6.726
294 HA PRO 47 HA PRO 47 60.455 -7.214 3.611
295 1HB PRO 47 2HB PRO 47 59.015 -9.691 4.202
296 2HB PRO 47 1HB PRO 47 60.753 -9.405 4.093
297 1HG PRO 47 2HG PRO 47 59.514 -9.924 6.433
298 2HG PRO 47 1HG PRO 47 60.936 -8.869 6.325
299 1HD PRO 47 2HD PRO 47 58.038 -8.132 6.537
300 2HD PRO 47 1HD PRO 47 59.444 -7.419 7.360
301 H LEU 48 H LEU 48 57.921 -5.702 3.526
302 HA LEU 48 HA LEU 48 56.265 -7.241 1.707
303 1HB LEU 48 2HB LEU 48 56.113 -4.483 2.833
304 2HB LEU 48 1HB LEU 48 55.370 -4.735 1.262
305 HG LEU 48 HG LEU 48 54.673 -6.172 3.823
306 1HD1 LEU 48 1HD1 LEU 48 53.866 -3.887 3.754
307 2HD1 LEU 48 2HD1 LEU 48 52.528 -5.022 3.575
308 3HD1 LEU 48 3HD1 LEU 48 53.156 -4.169 2.165
309 1HD2 LEU 48 1HD2 LEU 48 54.473 -7.688 1.948
310 2HD2 LEU 48 2HD2 LEU 48 53.559 -6.484 1.042
311 3HD2 LEU 48 3HD2 LEU 48 52.868 -7.199 2.498
312 H THR 49 H THR 49 57.604 -4.015 1.247
313 HA THR 49 HA THR 49 58.633 -4.801 -1.355
314 HB THR 49 HB THR 49 57.251 -3.024 -2.456
315 HG1 THR 49 HG1 THR 49 56.351 -1.727 -0.976
316 1HG2 THR 49 1HG2 THR 49 55.186 -4.382 -2.489
317 2HG2 THR 49 2HG2 THR 49 55.766 -5.275 -1.077
318 3HG2 THR 49 3HG2 THR 49 56.633 -5.381 -2.612
319 H GLN 50 H GLN 50 60.034 -3.943 0.894
320 HA GLN 50 HA GLN 50 60.972 -1.329 -0.041
321 1HB GLN 50 2HB GLN 50 61.493 -0.805 2.409
322 2HB GLN 50 1HB GLN 50 59.813 -0.709 1.901
323 1HG GLN 50 2HG GLN 50 59.558 -3.040 2.814
324 2HG GLN 50 1HG GLN 50 61.147 -2.813 3.549
325 1HE2 GLN 50 1HE2 GLN 50 60.562 0.106 3.831
326 2HE2 GLN 50 2HE2 GLN 50 59.508 0.230 5.195
327 H PHE 51 H PHE 51 63.123 -0.912 0.150
328 HA PHE 51 HA PHE 51 64.858 -3.242 0.640
329 1HB PHE 51 2HB PHE 51 65.038 -2.419 -1.641
330 2HB PHE 51 1HB PHE 51 65.211 -0.763 -1.079
331 HD1 PHE 51 HD1 PHE 51 66.909 -4.083 -0.901
332 HD2 PHE 51 HD2 PHE 51 67.327 0.158 -0.893
333 HE1 PHE 51 HE1 PHE 51 69.354 -4.317 -0.997
334 HE2 PHE 51 HE2 PHE 51 69.765 -0.078 -0.974
335 HZ PHE 51 HZ PHE 51 70.784 -2.310 -1.038
336 H THR 52 H THR 52 66.763 -2.852 1.946
337 HA THR 52 HA THR 52 66.255 -0.626 3.787
338 HB THR 52 HB THR 52 67.906 -3.099 4.301
339 HG1 THR 52 HG1 THR 52 65.245 -2.623 5.187
340 1HG2 THR 52 1HG2 THR 52 66.683 -1.075 6.175
341 2HG2 THR 52 2HG2 THR 52 68.389 -1.194 5.760
342 3HG2 THR 52 3HG2 THR 52 67.611 -2.499 6.653
343 H CYS 53 H CYS 53 67.403 1.076 3.024
344 HA CYS 53 HA CYS 53 69.986 1.019 1.985
345 1HB CYS 53 2HB CYS 53 68.469 3.007 2.092
346 2HB CYS 53 1HB CYS 53 68.919 3.174 3.785
347 H ASN 54 H ASN 54 72.038 0.880 2.810
348 HA ASN 54 HA ASN 54 72.345 -0.410 5.292
349 1HB ASN 54 2HB ASN 54 74.650 -0.502 4.871
350 2HB ASN 54 1HB ASN 54 73.910 -0.541 3.281
351 1HD2 ASN 54 1HD2 ASN 54 73.380 2.273 3.062
352 2HD2 ASN 54 2HD2 ASN 54 74.902 3.069 2.905
353 H ASN 55 H ASN 55 71.885 2.833 4.629
354 HA ASN 55 HA ASN 55 73.266 4.083 6.724
355 1HB ASN 55 2HB ASN 55 72.115 5.226 4.805
356 2HB ASN 55 1HB ASN 55 70.575 4.835 5.559
357 1HD2 ASN 55 1HD2 ASN 55 73.329 6.872 5.549
358 2HD2 ASN 55 2HD2 ASN 55 72.795 7.960 6.793
359 H GLY 56 H GLY 56 70.351 2.211 6.527
360 1HA GLY 56 2HA GLY 56 69.753 1.063 8.655
361 2HA GLY 56 1HA GLY 56 69.845 2.656 9.401
362 H ARG 57 H ARG 57 68.733 3.431 6.553
363 HA ARG 57 HA ARG 57 65.977 3.458 7.506
364 1HB ARG 57 2HB ARG 57 66.018 5.585 6.821
365 2HB ARG 57 1HB ARG 57 67.684 5.381 6.306
366 1HG ARG 57 2HG ARG 57 65.879 4.309 4.342
367 2HG ARG 57 1HG ARG 57 65.484 5.989 4.720
368 1HD ARG 57 2HD ARG 57 68.109 4.870 3.758
369 2HD ARG 57 1HD ARG 57 67.045 6.001 2.924
370 HE ARG 57 HE ARG 57 67.744 7.239 5.281
371 1HH1 ARG 57 1HH1 ARG 57 69.381 6.041 2.441
372 2HH1 ARG 57 2HH1 ARG 57 70.772 7.066 2.644
373 1HH2 ARG 57 1HH2 ARG 57 69.581 8.637 5.515
374 2HH2 ARG 57 2HH2 ARG 57 70.871 8.531 4.359
375 H CYS 58 H CYS 58 64.269 2.834 6.021
376 HA CYS 58 HA CYS 58 65.256 1.050 3.910
377 1HB CYS 58 2HB CYS 58 62.591 1.160 5.335
378 2HB CYS 58 1HB CYS 58 62.903 0.129 3.942
379 H ILE 59 H ILE 59 64.341 1.106 1.862
380 HA ILE 59 HA ILE 59 62.892 3.558 1.233
381 HB ILE 59 HB ILE 59 64.047 3.654 -0.934
382 1HG1 ILE 59 2HG1 ILE 59 65.938 1.589 0.179
383 2HG1 ILE 59 1HG1 ILE 59 64.598 1.169 -0.883
384 1HG2 ILE 59 1HG2 ILE 59 66.200 4.467 -0.108
385 2HG2 ILE 59 2HG2 ILE 59 65.906 3.679 1.443
386 3HG2 ILE 59 3HG2 ILE 59 64.871 5.008 0.916
387 1HD1 ILE 59 1HD1 ILE 59 65.522 2.575 -2.625
388 2HD1 ILE 59 2HD1 ILE 59 66.694 1.366 -2.097
389 3HD1 ILE 59 3HD1 ILE 59 66.853 3.039 -1.562
390 H ASN 60 H ASN 60 61.903 3.265 -1.135
391 HA ASN 60 HA ASN 60 60.228 0.986 -1.129
392 1HB ASN 60 2HB ASN 60 59.584 3.100 -2.205
393 2HB ASN 60 1HB ASN 60 60.872 2.901 -3.386
394 1HD2 ASN 60 1HD2 ASN 60 57.746 1.809 -2.320
395 2HD2 ASN 60 2HD2 ASN 60 57.354 0.928 -3.767
396 H ILE 61 H ILE 61 60.379 -0.958 -2.176
397 HA ILE 61 HA ILE 61 62.991 -1.936 -2.665
398 HB ILE 61 HB ILE 61 60.580 -3.049 -2.023
399 1HG1 ILE 61 2HG1 ILE 61 62.764 -3.909 -1.368
400 2HG1 ILE 61 1HG1 ILE 61 61.747 -5.195 -2.003
401 1HG2 ILE 61 1HG2 ILE 61 61.215 -3.969 -4.822
402 2HG2 ILE 61 2HG2 ILE 61 59.774 -3.100 -4.297
403 3HG2 ILE 61 3HG2 ILE 61 60.067 -4.746 -3.730
404 1HD1 ILE 61 1HD1 ILE 61 62.963 -5.082 -4.126
405 2HD1 ILE 61 2HD1 ILE 61 64.017 -5.448 -2.760
406 3HD1 ILE 61 3HD1 ILE 61 64.002 -3.825 -3.450
407 H ASN 62 H ASN 62 61.030 -0.176 -4.738
408 HA ASN 62 HA ASN 62 61.961 -1.655 -7.104
409 1HB ASN 62 2HB ASN 62 59.425 -0.990 -6.523
410 2HB ASN 62 1HB ASN 62 59.906 0.460 -7.402
411 1HD2 ASN 62 1HD2 ASN 62 60.628 0.247 -9.558
412 2HD2 ASN 62 2HD2 ASN 62 60.151 -1.112 -10.510
413 H TRP 63 H TRP 63 63.607 0.240 -5.612
414 HA TRP 63 HA TRP 63 63.994 2.326 -7.659
415 1HB TRP 63 2HB TRP 63 64.910 2.188 -4.779
416 2HB TRP 63 1HB TRP 63 65.399 3.451 -5.905
417 HD1 TRP 63 HD1 TRP 63 61.952 2.858 -6.797
418 HE1 TRP 63 HE1 TRP 63 60.348 4.487 -5.614
419 HE3 TRP 63 HE3 TRP 63 65.109 4.621 -3.216
420 HZ2 TRP 63 HZ2 TRP 63 60.422 6.294 -3.443
421 HZ3 TRP 63 HZ3 TRP 63 64.278 6.300 -1.615
422 HH2 TRP 63 HH2 TRP 63 61.981 7.119 -1.729
423 H ARG 64 H ARG 64 64.641 -0.357 -7.987
424 HA ARG 64 HA ARG 64 67.461 -0.775 -7.612
425 1HB ARG 64 2HB ARG 64 65.582 -2.512 -7.544
426 2HB ARG 64 1HB ARG 64 65.575 -2.409 -9.296
427 1HG ARG 64 2HG ARG 64 67.032 -4.091 -9.172
428 2HG ARG 64 1HG ARG 64 68.210 -2.831 -8.790
429 1HD ARG 64 2HD ARG 64 68.324 -4.665 -7.181
430 2HD ARG 64 1HD ARG 64 67.806 -3.164 -6.412
431 HE ARG 64 HE ARG 64 65.453 -4.208 -6.860
432 1HH1 ARG 64 1HH1 ARG 64 68.363 -5.817 -5.758
433 2HH1 ARG 64 2HH1 ARG 64 67.504 -7.084 -4.935
434 1HH2 ARG 64 1HH2 ARG 64 64.307 -5.859 -5.772
435 2HH2 ARG 64 2HH2 ARG 64 65.180 -7.106 -4.943
436 H CYS 65 H CYS 65 68.799 0.426 -8.940
437 HA CYS 65 HA CYS 65 68.203 0.700 -11.743
438 1HB CYS 65 2HB CYS 65 69.564 2.432 -10.674
439 2HB CYS 65 1HB CYS 65 70.765 1.231 -10.216
440 H ASP 66 H ASP 66 69.816 -1.496 -9.677
441 HA ASP 66 HA ASP 66 70.535 -3.230 -11.891
442 1HB ASP 66 2HB ASP 66 72.893 -3.412 -11.061
443 2HB ASP 66 1HB ASP 66 72.492 -1.848 -11.758
444 H ASN 67 H ASN 67 71.928 -3.292 -8.667
445 HA ASN 67 HA ASN 67 70.565 -5.823 -8.174
446 1HB ASN 67 2HB ASN 67 72.989 -6.090 -8.489
447 2HB ASN 67 1HB ASN 67 73.287 -4.909 -7.220
448 1HD2 ASN 67 1HD2 ASN 67 73.029 -5.489 -5.069
449 2HD2 ASN 67 2HD2 ASN 67 72.849 -7.146 -4.588
450 H ASP 68 H ASP 68 71.557 -2.745 -6.902
451 HA ASP 68 HA ASP 68 69.954 -3.251 -4.487
452 1HB ASP 68 2HB ASP 68 72.419 -1.552 -4.866
453 2HB ASP 68 1HB ASP 68 71.364 -1.391 -3.464
454 H ASN 69 H ASN 69 69.452 -0.782 -3.559
455 HA ASN 69 HA ASN 69 67.875 0.324 -5.784
456 1HB ASN 69 2HB ASN 69 66.904 -0.264 -2.979
457 2HB ASN 69 1HB ASN 69 65.971 0.566 -4.221
458 1HD2 ASN 69 1HD2 ASN 69 67.365 -2.483 -3.244
459 2HD2 ASN 69 2HD2 ASN 69 66.416 -3.465 -4.301
460 H ASP 70 H ASP 70 67.821 2.437 -5.971
461 HA ASP 70 HA ASP 70 69.638 4.169 -4.942
462 1HB ASP 70 2HB ASP 70 66.841 4.760 -5.925
463 2HB ASP 70 1HB ASP 70 68.045 6.003 -5.631
464 H CYS 71 H CYS 71 69.922 4.116 -2.718
465 HA CYS 71 HA CYS 71 67.751 5.378 -1.173
466 1HB CYS 71 2HB CYS 71 68.466 4.261 0.766
467 2HB CYS 71 1HB CYS 71 68.559 3.042 -0.498
468 H GLY 72 H GLY 72 70.999 5.649 -2.300
469 1HA GLY 72 2HA GLY 72 71.925 7.835 -2.556
470 2HA GLY 72 1HA GLY 72 71.050 8.339 -1.118
471 H ASP 73 H ASP 73 72.306 5.461 -0.230
472 HA ASP 73 HA ASP 73 74.667 6.798 0.899
473 1HB ASP 73 2HB ASP 73 72.798 4.751 1.995
474 2HB ASP 73 1HB ASP 73 74.469 4.745 2.548
475 H ASN 74 H ASN 74 74.615 5.548 -1.699
476 HA ASN 74 HA ASN 74 76.252 4.657 -2.976
477 1HB ASN 74 2HB ASN 74 77.722 4.486 -0.349
478 2HB ASN 74 1HB ASN 74 78.444 4.092 -1.906
479 1HD2 ASN 74 1HD2 ASN 74 79.102 6.187 0.043
480 2HD2 ASN 74 2HD2 ASN 74 79.025 7.673 -0.832
481 H SER 75 H SER 75 74.298 2.858 -1.307
482 HA SER 75 HA SER 75 75.688 0.322 -1.499
483 1HB SER 75 2HB SER 75 72.728 0.737 -1.105
484 2HB SER 75 1HB SER 75 73.697 -0.657 -0.629
485 HG SER 75 HG SER 75 74.818 1.321 0.587
486 H ASP 76 H ASP 76 72.884 1.792 -2.907
487 HA ASP 76 HA ASP 76 72.305 0.040 -4.967
488 1HB ASP 76 2HB ASP 76 71.427 2.362 -5.963
489 2HB ASP 76 1HB ASP 76 70.623 1.526 -4.629
490 H GLU 77 H GLU 77 73.964 3.170 -5.233
491 HA GLU 77 HA GLU 77 74.568 2.777 -7.994
492 1HB GLU 77 2HB GLU 77 75.408 4.939 -6.063
493 2HB GLU 77 1HB GLU 77 75.698 4.981 -7.799
494 1HG GLU 77 2HG GLU 77 73.023 4.952 -6.419
495 2HG GLU 77 1HG GLU 77 73.771 6.313 -7.256
496 H ALA 78 H ALA 78 75.812 1.073 -5.790
497 HA ALA 78 HA ALA 78 78.618 1.302 -6.083
498 1HB ALA 78 1HB ALA 78 77.595 -0.143 -4.392
499 2HB ALA 78 2HB ALA 78 78.704 -1.051 -5.419
500 3HB ALA 78 3HB ALA 78 76.963 -1.191 -5.664
501 H GLY 79 H GLY 79 76.104 0.264 -8.205
502 1HA GLY 79 2HA GLY 79 78.129 -0.195 -10.287
503 2HA GLY 79 1HA GLY 79 76.846 -1.376 -10.064
504 H CYS 80 H CYS 80 74.617 -0.548 -10.209
505 HA CYS 80 HA CYS 80 72.973 0.264 -11.527
506 1HB CYS 80 2HB CYS 80 73.309 2.228 -10.122
507 2HB CYS 80 1HB CYS 80 74.543 2.827 -11.220
508 H SER 81 H SER 81 74.989 2.673 -13.049
509 HA SER 81 HA SER 81 75.762 1.200 -15.318
510 1HB SER 81 2HB SER 81 74.099 2.182 -16.936
511 2HB SER 81 1HB SER 81 73.417 0.989 -15.828
512 HG SER 81 HG SER 81 72.672 2.761 -14.537
513 H HIS 82 HN HIS 82 75.842 3.012 -17.290
514 HA HIS 82 HA HIS 82 76.808 5.512 -16.122
515 1HB HIS 82 2HB HIS 82 78.754 5.455 -17.737
516 2HB HIS 82 1HB HIS 82 78.846 4.309 -16.408
517 HD1 HIS 82 HD1 HIS 82 78.294 4.446 -20.144
518 HD2 HIS 82 HD2 HIS 82 78.927 1.655 -17.130
519 HE1 HIS 82 HE1 HIS 82 78.788 2.258 -21.300
Start of MODEL 15
1 1H SER 1 1HT SER 1 38.936 -5.708 -1.970
2 2H SER 1 2HT SER 1 37.777 -5.394 -0.780
3 3H SER 1 3HT SER 1 38.180 -4.197 -1.907
4 HA SER 1 HA SER 1 37.277 -5.503 -3.691
5 1HB SER 1 2HB SER 1 35.902 -7.544 -2.979
6 2HB SER 1 1HB SER 1 37.655 -7.728 -2.969
7 HG SER 1 HG SER 1 36.053 -8.219 -0.986
8 H ALA 2 H ALA 2 35.325 -6.116 -0.773
9 HA ALA 2 HA ALA 2 33.194 -4.468 -1.806
10 1HB ALA 2 1HB ALA 2 32.686 -6.520 -0.575
11 2HB ALA 2 2HB ALA 2 31.995 -5.111 0.225
12 3HB ALA 2 3HB ALA 2 33.458 -5.855 0.865
13 H ARG 3 H ARG 3 33.730 -2.367 -1.848
14 HA ARG 3 HA ARG 3 34.089 -0.242 -1.156
15 1HB ARG 3 2HB ARG 3 32.629 -0.668 0.749
16 2HB ARG 3 1HB ARG 3 33.968 -1.369 1.645
17 1HG ARG 3 2HG ARG 3 35.125 0.800 1.587
18 2HG ARG 3 1HG ARG 3 33.743 1.491 0.738
19 1HD ARG 3 2HD ARG 3 32.310 1.002 2.643
20 2HD ARG 3 1HD ARG 3 33.668 0.252 3.483
21 HE ARG 3 HE ARG 3 34.547 2.767 2.917
22 1HH1 ARG 3 1HH1 ARG 3 31.762 1.474 4.577
23 2HH1 ARG 3 2HH1 ARG 3 31.613 2.818 5.660
24 1HH2 ARG 3 1HH2 ARG 3 34.377 4.559 4.352
25 2HH2 ARG 3 2HH2 ARG 3 33.103 4.576 5.534
26 H THR 4 H THR 4 35.992 -2.672 0.529
27 HA THR 4 HA THR 4 38.292 -1.050 0.887
28 HB THR 4 HB THR 4 39.437 -3.329 1.145
29 HG1 THR 4 HG1 THR 4 37.184 -4.691 1.620
30 1HG2 THR 4 1HG2 THR 4 37.055 -2.724 2.908
31 2HG2 THR 4 2HG2 THR 4 38.645 -1.979 3.048
32 3HG2 THR 4 3HG2 THR 4 38.452 -3.707 3.348
33 H CYS 5 H CYS 5 40.307 -1.261 -0.205
34 HA CYS 5 HA CYS 5 40.083 -1.174 -3.021
35 1HB CYS 5 2HB CYS 5 42.362 -1.030 -1.079
36 2HB CYS 5 1HB CYS 5 42.640 -1.059 -2.813
37 HA PRO 6 HA PRO 6 41.016 -5.243 -4.562
38 1HB PRO 6 2HB PRO 6 43.514 -4.178 -5.798
39 2HB PRO 6 1HB PRO 6 42.177 -5.059 -6.547
40 1HG PRO 6 2HG PRO 6 42.423 -2.455 -6.939
41 2HG PRO 6 1HG PRO 6 40.820 -3.161 -6.645
42 1HD PRO 6 2HD PRO 6 42.615 -1.665 -4.771
43 2HD PRO 6 1HD PRO 6 40.854 -1.539 -4.980
44 HA PRO 7 HA PRO 7 43.859 -7.349 -1.967
45 1HB PRO 7 2HB PRO 7 44.704 -9.452 -3.451
46 2HB PRO 7 1HB PRO 7 43.054 -9.314 -2.830
47 1HG PRO 7 2HG PRO 7 44.115 -8.681 -5.559
48 2HG PRO 7 1HG PRO 7 42.633 -9.545 -5.112
49 1HD PRO 7 2HD PRO 7 42.632 -6.946 -5.859
50 2HD PRO 7 1HD PRO 7 41.482 -7.597 -4.675
51 H ASN 8 H ASN 8 45.097 -5.441 -4.202
52 HA ASN 8 HA ASN 8 47.848 -5.994 -3.343
53 1HB ASN 8 2HB ASN 8 47.519 -6.746 -5.733
54 2HB ASN 8 1HB ASN 8 47.121 -5.080 -6.142
55 1HD2 ASN 8 1HD2 ASN 8 48.831 -4.740 -7.492
56 2HD2 ASN 8 2HD2 ASN 8 50.473 -4.700 -6.965
57 H GLN 9 H GLN 9 45.477 -4.164 -2.750
58 HA GLN 9 HA GLN 9 46.810 -1.586 -3.073
59 1HB GLN 9 2HB GLN 9 44.705 -2.453 -4.713
60 2HB GLN 9 1HB GLN 9 43.968 -1.381 -3.550
61 1HG GLN 9 2HG GLN 9 44.480 0.099 -5.195
62 2HG GLN 9 1HG GLN 9 45.937 0.204 -4.210
63 1HE2 GLN 9 1HE2 GLN 9 46.919 -2.397 -5.083
64 2HE2 GLN 9 2HE2 GLN 9 47.477 -2.177 -6.696
65 H PHE 10 H PHE 10 46.327 -0.168 -1.449
66 HA PHE 10 HA PHE 10 44.815 -1.268 0.813
67 1HB PHE 10 2HB PHE 10 47.104 -0.947 1.415
68 2HB PHE 10 1HB PHE 10 47.155 0.642 0.665
69 HD1 PHE 10 HD1 PHE 10 45.128 -1.099 3.295
70 HD2 PHE 10 HD2 PHE 10 47.238 2.424 2.146
71 HE1 PHE 10 HE1 PHE 10 44.601 -0.059 5.468
72 HE2 PHE 10 HE2 PHE 10 46.694 3.456 4.288
73 HZ PHE 10 HZ PHE 10 45.387 2.237 5.964
74 H SER 11 H SER 11 43.237 -0.095 1.708
75 HA SER 11 HA SER 11 42.374 2.255 0.253
76 1HB SER 11 2HB SER 11 40.121 1.671 1.344
77 2HB SER 11 1HB SER 11 40.697 0.601 0.065
78 HG SER 11 HG SER 11 40.938 0.176 2.866
79 H CYS 12 H CYS 12 43.365 3.792 1.239
80 HA CYS 12 HA CYS 12 43.642 4.139 4.032
81 1HB CYS 12 2HB CYS 12 45.153 5.184 2.422
82 2HB CYS 12 1HB CYS 12 43.817 6.066 1.701
83 H ALA 13 H ALA 13 42.763 6.545 4.755
84 HA ALA 13 HA ALA 13 40.177 6.712 5.369
85 1HB ALA 13 1HB ALA 13 41.740 8.502 5.871
86 2HB ALA 13 2HB ALA 13 40.292 9.167 5.113
87 3HB ALA 13 3HB ALA 13 41.773 8.978 4.169
88 H SER 14 H SER 14 38.219 6.867 4.439
89 HA SER 14 HA SER 14 37.838 5.636 2.055
90 1HB SER 14 2HB SER 14 35.962 7.547 3.457
91 2HB SER 14 1HB SER 14 35.484 6.467 2.146
92 HG SER 14 HG SER 14 36.832 5.093 4.024
93 H GLY 15 H GLY 15 38.985 6.338 0.401
94 1HA GLY 15 2HA GLY 15 38.009 7.952 -1.526
95 2HA GLY 15 1HA GLY 15 38.898 9.071 -0.499
96 H ARG 16 H ARG 16 40.950 7.144 0.255
97 HA ARG 16 HA ARG 16 42.509 7.325 -2.199
98 1HB ARG 16 2HB ARG 16 43.306 6.768 0.651
99 2HB ARG 16 1HB ARG 16 44.429 6.657 -0.694
100 1HG ARG 16 2HG ARG 16 43.835 9.061 -1.210
101 2HG ARG 16 1HG ARG 16 43.032 9.093 0.362
102 1HD ARG 16 2HD ARG 16 45.333 9.948 0.492
103 2HD ARG 16 1HD ARG 16 45.110 8.491 1.461
104 HE ARG 16 HE ARG 16 46.015 7.518 -0.891
105 1HH1 ARG 16 1HH1 ARG 16 47.281 10.006 1.253
106 2HH1 ARG 16 2HH1 ARG 16 48.937 9.728 0.783
107 1HH2 ARG 16 1HH2 ARG 16 48.198 7.171 -1.473
108 2HH2 ARG 16 2HH2 ARG 16 49.460 8.111 -0.729
109 H CYS 17 H CYS 17 43.665 5.610 -3.059
110 HA CYS 17 HA CYS 17 43.167 2.903 -2.131
111 1HB CYS 17 2HB CYS 17 41.299 3.718 -3.769
112 2HB CYS 17 1HB CYS 17 42.541 3.510 -5.003
113 H ILE 18 H ILE 18 45.309 2.453 -1.923
114 HA ILE 18 HA ILE 18 47.133 3.408 -4.054
115 HB ILE 18 HB ILE 18 48.717 4.004 -2.410
116 1HG1 ILE 18 2HG1 ILE 18 47.037 2.494 -0.398
117 2HG1 ILE 18 1HG1 ILE 18 48.542 1.902 -1.099
118 1HG2 ILE 18 1HG2 ILE 18 47.526 5.475 -0.883
119 2HG2 ILE 18 2HG2 ILE 18 46.029 4.577 -1.147
120 3HG2 ILE 18 3HG2 ILE 18 46.748 5.505 -2.468
121 1HD1 ILE 18 1HD1 ILE 18 49.709 3.818 -0.090
122 2HD1 ILE 18 2HD1 ILE 18 48.954 2.755 1.098
123 3HD1 ILE 18 3HD1 ILE 18 48.196 4.294 0.682
124 HA PRO 19 HA PRO 19 48.721 -0.835 -4.329
125 1HB PRO 19 2HB PRO 19 51.371 0.499 -4.512
126 2HB PRO 19 1HB PRO 19 50.634 -0.690 -5.592
127 1HG PRO 19 2HG PRO 19 50.820 1.885 -6.294
128 2HG PRO 19 1HG PRO 19 49.404 0.910 -6.731
129 1HD PRO 19 2HD PRO 19 49.700 2.983 -4.603
130 2HD PRO 19 1HD PRO 19 48.302 2.608 -5.631
131 H ILE 20 H ILE 20 49.214 -2.152 -2.587
132 HA ILE 20 HA ILE 20 49.914 -0.898 -0.112
133 HB ILE 20 HB ILE 20 49.977 -3.851 -0.529
134 1HG1 ILE 20 2HG1 ILE 20 47.579 -2.082 -0.054
135 2HG1 ILE 20 1HG1 ILE 20 47.849 -3.150 -1.426
136 1HG2 ILE 20 1HG2 ILE 20 49.341 -3.882 1.835
137 2HG2 ILE 20 2HG2 ILE 20 49.334 -2.119 1.848
138 3HG2 ILE 20 3HG2 ILE 20 50.841 -2.994 1.578
139 1HD1 ILE 20 1HD1 ILE 20 47.694 -5.085 0.036
140 2HD1 ILE 20 2HD1 ILE 20 46.242 -4.087 0.134
141 3HD1 ILE 20 3HD1 ILE 20 47.447 -4.019 1.418
142 H SER 21 H SER 21 51.915 0.005 -0.827
143 HA SER 21 HA SER 21 54.053 -1.741 0.138
144 1HB SER 21 2HB SER 21 54.375 -1.774 -2.276
145 2HB SER 21 1HB SER 21 54.195 -0.021 -2.361
146 HG SER 21 HG SER 21 56.108 -0.032 -0.870
147 H TRP 22 H TRP 22 52.196 0.763 0.564
148 HA TRP 22 HA TRP 22 54.277 2.785 1.035
149 1HB TRP 22 2HB TRP 22 51.334 3.189 0.542
150 2HB TRP 22 1HB TRP 22 52.510 4.475 0.781
151 HD1 TRP 22 HD1 TRP 22 54.329 2.142 -1.236
152 HE1 TRP 22 HE1 TRP 22 54.153 2.650 -3.738
153 HE3 TRP 22 HE3 TRP 22 50.375 5.372 -1.136
154 HZ2 TRP 22 HZ2 TRP 22 52.574 4.225 -5.459
155 HZ3 TRP 22 HZ3 TRP 22 49.599 6.342 -3.257
156 HH2 TRP 22 HH2 TRP 22 50.677 5.780 -5.379
157 H THR 23 H THR 23 51.098 2.046 2.364
158 HA THR 23 HA THR 23 51.161 3.480 4.645
159 HB THR 23 HB THR 23 49.150 2.376 4.210
160 HG1 THR 23 HG1 THR 23 49.897 2.374 6.514
161 1HG2 THR 23 1HG2 THR 23 50.648 -0.244 4.334
162 2HG2 THR 23 2HG2 THR 23 50.008 0.523 2.880
163 3HG2 THR 23 3HG2 THR 23 48.906 -0.075 4.119
164 H CYS 24 H CYS 24 52.727 0.417 4.198
165 HA CYS 24 HA CYS 24 53.681 0.411 6.914
166 1HB CYS 24 2HB CYS 24 52.529 -1.583 5.915
167 2HB CYS 24 1HB CYS 24 53.917 -1.772 4.853
168 H ASP 25 H ASP 25 54.849 2.333 4.945
169 HA ASP 25 HA ASP 25 57.566 1.239 5.121
170 1HB ASP 25 2HB ASP 25 58.319 2.732 3.283
171 2HB ASP 25 1HB ASP 25 57.226 1.459 2.793
172 H LEU 26 H LEU 26 56.257 4.592 4.827
173 HA LEU 26 HA LEU 26 57.317 5.280 7.402
174 1HB LEU 26 2HB LEU 26 58.886 5.947 4.954
175 2HB LEU 26 1HB LEU 26 58.853 7.096 6.277
176 HG LEU 26 HG LEU 26 59.779 4.229 6.492
177 1HD1 LEU 26 1HD1 LEU 26 62.015 5.174 6.701
178 2HD1 LEU 26 2HD1 LEU 26 61.370 6.793 6.437
179 3HD1 LEU 26 3HD1 LEU 26 61.296 5.589 5.149
180 1HD2 LEU 26 1HD2 LEU 26 59.869 6.492 8.492
181 2HD2 LEU 26 2HD2 LEU 26 60.587 4.896 8.708
182 3HD2 LEU 26 3HD2 LEU 26 58.838 5.062 8.577
183 H ASP 27 H ASP 27 55.530 6.184 4.551
184 HA ASP 27 HA ASP 27 54.479 8.527 5.869
185 1HB ASP 27 2HB ASP 27 56.706 9.317 5.107
186 2HB ASP 27 1HB ASP 27 56.267 8.921 3.455
187 H ASP 28 H ASP 28 53.103 9.846 4.348
188 HA ASP 28 HA ASP 28 52.094 10.315 2.333
189 1HB ASP 28 2HB ASP 28 53.269 8.659 1.018
190 2HB ASP 28 1HB ASP 28 52.238 7.380 1.655
191 H ASP 29 H ASP 29 50.699 7.111 3.318
192 HA ASP 29 HA ASP 29 48.173 8.336 2.659
193 1HB ASP 29 2HB ASP 29 47.186 6.078 2.960
194 2HB ASP 29 1HB ASP 29 48.458 6.178 1.754
195 H CYS 30 H CYS 30 48.048 5.982 5.215
196 HA CYS 30 HA CYS 30 47.603 7.808 7.312
197 1HB CYS 30 2HB CYS 30 45.164 7.690 7.485
198 2HB CYS 30 1HB CYS 30 45.651 8.454 5.973
199 H GLY 31 H GLY 31 47.060 4.687 5.842
200 1HA GLY 31 2HA GLY 31 46.730 2.594 6.690
201 2HA GLY 31 1HA GLY 31 47.736 3.139 8.026
202 H ASP 32 H ASP 32 46.827 3.824 9.859
203 HA ASP 32 HA ASP 32 43.928 3.388 10.233
204 1HB ASP 32 2HB ASP 32 46.173 2.566 12.101
205 2HB ASP 32 1HB ASP 32 44.463 2.493 12.502
206 H ARG 33 H ARG 33 44.644 5.824 9.671
207 HA ARG 33 HA ARG 33 44.857 8.005 10.314
208 1HB ARG 33 2HB ARG 33 43.420 7.847 12.193
209 2HB ARG 33 1HB ARG 33 44.554 6.832 13.078
210 1HG ARG 33 2HG ARG 33 46.135 8.831 13.008
211 2HG ARG 33 1HG ARG 33 44.720 9.776 12.538
212 1HD ARG 33 2HD ARG 33 43.565 9.039 14.580
213 2HD ARG 33 1HD ARG 33 44.999 8.127 15.049
214 HE ARG 33 HE ARG 33 44.785 11.065 14.930
215 1HH1 ARG 33 1HH1 ARG 33 46.532 8.195 15.946
216 2HH1 ARG 33 2HH1 ARG 33 47.568 9.068 17.033
217 1HH2 ARG 33 1HH2 ARG 33 46.145 12.189 16.366
218 2HH2 ARG 33 2HH2 ARG 33 47.340 11.315 17.278
219 H SER 34 H SER 34 46.766 5.598 11.944
220 HA SER 34 HA SER 34 49.153 7.202 11.458
221 1HB SER 34 2HB SER 34 48.638 5.520 13.926
222 2HB SER 34 1HB SER 34 50.114 6.418 13.574
223 HG SER 34 HG SER 34 48.375 8.234 13.364
224 H ASP 35 H ASP 35 49.374 6.105 9.605
225 HA ASP 35 HA ASP 35 49.351 3.326 9.172
226 1HB ASP 35 2HB ASP 35 50.894 4.037 7.188
227 2HB ASP 35 1HB ASP 35 49.220 4.577 7.238
228 H GLU 36 H GLU 36 51.406 5.032 11.107
229 HA GLU 36 HA GLU 36 53.802 3.441 10.553
230 1HB GLU 36 2HB GLU 36 53.297 5.881 12.266
231 2HB GLU 36 1HB GLU 36 54.831 5.031 12.236
232 1HG GLU 36 2HG GLU 36 53.620 6.099 9.723
233 2HG GLU 36 1HG GLU 36 54.544 7.140 10.806
234 H SER 37 H SER 37 51.138 2.860 12.087
235 HA SER 37 HA SER 37 52.372 1.139 14.031
236 1HB SER 37 2HB SER 37 50.456 3.314 14.932
237 2HB SER 37 1HB SER 37 51.017 1.979 15.937
238 HG SER 37 HG SER 37 53.123 3.238 14.821
239 H ALA 38 H ALA 38 50.308 0.177 15.358
240 HA ALA 38 HA ALA 38 48.328 -0.881 15.409
241 1HB ALA 38 1HB ALA 38 47.573 0.701 12.975
242 2HB ALA 38 2HB ALA 38 47.350 1.226 14.642
243 3HB ALA 38 3HB ALA 38 46.478 -0.182 14.039
244 H SER 39 H SER 39 48.941 -0.587 11.906
245 HA SER 39 HA SER 39 48.450 -3.478 11.755
246 1HB SER 39 2HB SER 39 48.247 -1.349 9.609
247 2HB SER 39 1HB SER 39 47.924 -3.066 9.368
248 HG SER 39 HG SER 39 46.355 -1.114 10.531
249 H CYS 40 H CYS 40 50.767 -0.961 10.838
250 HA CYS 40 HA CYS 40 52.481 -3.025 9.696
251 1HB CYS 40 2HB CYS 40 52.280 -0.894 8.462
252 2HB CYS 40 1HB CYS 40 52.933 -0.040 9.857
253 H ALA 41 H ALA 41 53.724 -4.098 11.047
254 HA ALA 41 HA ALA 41 54.300 -3.073 13.678
255 1HB ALA 41 1HB ALA 41 53.727 -5.432 13.371
256 2HB ALA 41 2HB ALA 41 55.331 -5.250 14.082
257 3HB ALA 41 3HB ALA 41 55.166 -5.651 12.373
258 H TYR 42 H TYR 42 55.749 -2.890 10.669
259 HA TYR 42 HA TYR 42 57.810 -2.392 9.861
260 1HB TYR 42 2HB TYR 42 57.639 -0.710 12.353
261 2HB TYR 42 1HB TYR 42 58.992 -0.576 11.231
262 HD1 TYR 42 HD1 TYR 42 55.679 0.549 11.976
263 HD2 TYR 42 HD2 TYR 42 58.398 -0.137 8.762
264 HE1 TYR 42 HE1 TYR 42 54.383 2.074 10.545
265 HE2 TYR 42 HE2 TYR 42 57.077 1.364 7.329
266 HH TYR 42 HH TYR 42 55.039 3.563 8.351
267 HA PRO 43 HA PRO 43 60.078 -5.357 12.641
268 1HB PRO 43 2HB PRO 43 60.199 -7.154 10.364
269 2HB PRO 43 1HB PRO 43 59.468 -7.421 11.947
270 1HG PRO 43 2HG PRO 43 58.013 -7.171 9.664
271 2HG PRO 43 1HG PRO 43 57.404 -6.698 11.260
272 1HD PRO 43 2HD PRO 43 58.536 -4.975 9.079
273 2HD PRO 43 1HD PRO 43 57.130 -4.688 10.131
274 H THR 44 H THR 44 60.581 -4.760 9.187
275 HA THR 44 HA THR 44 63.302 -3.941 9.566
276 HB THR 44 HB THR 44 63.554 -6.421 9.669
277 HG1 THR 44 HG1 THR 44 64.603 -5.151 7.346
278 1HG2 THR 44 1HG2 THR 44 62.499 -6.387 6.833
279 2HG2 THR 44 2HG2 THR 44 61.658 -7.048 8.237
280 3HG2 THR 44 3HG2 THR 44 63.159 -7.784 7.678
281 H CYS 45 H CYS 45 60.811 -2.965 8.432
282 HA CYS 45 HA CYS 45 59.787 -2.152 6.580
283 1HB CYS 45 2HB CYS 45 62.444 -2.518 5.168
284 2HB CYS 45 1HB CYS 45 61.107 -1.500 4.645
285 H PHE 46 H PHE 46 59.542 -2.769 4.078
286 HA PHE 46 HA PHE 46 58.690 -4.284 2.647
287 1HB PHE 46 2HB PHE 46 60.962 -4.606 2.041
288 2HB PHE 46 1HB PHE 46 61.259 -5.645 3.435
289 HD1 PHE 46 HD1 PHE 46 58.375 -5.728 1.134
290 HD2 PHE 46 HD2 PHE 46 61.934 -7.650 2.430
291 HE1 PHE 46 HE1 PHE 46 57.738 -7.709 -0.138
292 HE2 PHE 46 HE2 PHE 46 61.332 -9.651 1.140
293 HZ PHE 46 HZ PHE 46 59.228 -9.695 -0.160
294 HA PRO 47 HA PRO 47 56.688 -7.681 4.704
295 1HB PRO 47 2HB PRO 47 54.316 -6.632 5.292
296 2HB PRO 47 1HB PRO 47 55.706 -6.341 6.348
297 1HG PRO 47 2HG PRO 47 54.349 -4.500 4.470
298 2HG PRO 47 1HG PRO 47 55.287 -4.130 5.924
299 1HD PRO 47 2HD PRO 47 56.163 -4.099 3.168
300 2HD PRO 47 1HD PRO 47 57.090 -3.662 4.621
301 H LEU 48 H LEU 48 56.608 -5.939 1.928
302 HA LEU 48 HA LEU 48 54.259 -7.280 0.782
303 1HB LEU 48 2HB LEU 48 54.712 -4.309 0.469
304 2HB LEU 48 1HB LEU 48 53.289 -5.238 0.024
305 HG LEU 48 HG LEU 48 54.156 -5.144 2.869
306 1HD1 LEU 48 1HD1 LEU 48 52.730 -3.155 3.211
307 2HD1 LEU 48 2HD1 LEU 48 52.539 -3.011 1.464
308 3HD1 LEU 48 3HD1 LEU 48 54.131 -2.806 2.196
309 1HD2 LEU 48 1HD2 LEU 48 52.381 -6.683 2.253
310 2HD2 LEU 48 2HD2 LEU 48 51.470 -5.370 1.509
311 3HD2 LEU 48 3HD2 LEU 48 51.732 -5.381 3.254
312 H THR 49 H THR 49 56.390 -4.640 -0.222
313 HA THR 49 HA THR 49 57.828 -6.169 -2.125
314 HB THR 49 HB THR 49 55.855 -6.092 -3.470
315 HG1 THR 49 HG1 THR 49 56.801 -5.331 -5.207
316 1HG2 THR 49 1HG2 THR 49 54.659 -4.030 -4.030
317 2HG2 THR 49 2HG2 THR 49 55.715 -3.125 -2.945
318 3HG2 THR 49 3HG2 THR 49 54.627 -4.352 -2.294
319 H GLN 50 H GLN 50 59.610 -5.238 -1.154
320 HA GLN 50 HA GLN 50 60.024 -2.399 -1.424
321 1HB GLN 50 2HB GLN 50 59.258 -3.662 1.155
322 2HB GLN 50 1HB GLN 50 60.526 -2.452 1.190
323 1HG GLN 50 2HG GLN 50 58.972 -0.852 0.115
324 2HG GLN 50 1HG GLN 50 57.703 -2.074 0.225
325 1HE2 GLN 50 1HE2 GLN 50 56.509 -0.618 1.554
326 2HE2 GLN 50 2HE2 GLN 50 56.919 -0.413 3.221
327 H PHE 51 H PHE 51 62.017 -1.686 -0.586
328 HA PHE 51 HA PHE 51 64.056 -3.727 0.038
329 1HB PHE 51 2HB PHE 51 64.555 -2.742 -2.125
330 2HB PHE 51 1HB PHE 51 64.273 -1.128 -1.518
331 HD1 PHE 51 HD1 PHE 51 66.711 -3.585 -2.255
332 HD2 PHE 51 HD2 PHE 51 65.960 -0.252 0.273
333 HE1 PHE 51 HE1 PHE 51 69.112 -3.309 -1.920
334 HE2 PHE 51 HE2 PHE 51 68.377 0.010 0.627
335 HZ PHE 51 HZ PHE 51 69.958 -1.515 -0.466
336 H THR 52 H THR 52 65.574 -2.978 1.704
337 HA THR 52 HA THR 52 64.317 -1.000 3.457
338 HB THR 52 HB THR 52 66.425 -3.052 4.155
339 HG1 THR 52 HG1 THR 52 64.076 -3.643 5.250
340 1HG2 THR 52 1HG2 THR 52 65.728 -2.605 6.476
341 2HG2 THR 52 2HG2 THR 52 64.610 -1.369 5.896
342 3HG2 THR 52 3HG2 THR 52 66.347 -1.152 5.694
343 H CYS 53 H CYS 53 65.115 0.850 2.584
344 HA CYS 53 HA CYS 53 67.648 1.296 1.567
345 1HB CYS 53 2HB CYS 53 65.630 2.767 1.400
346 2HB CYS 53 1HB CYS 53 65.990 3.335 3.024
347 H ASN 54 H ASN 54 69.579 1.806 2.351
348 HA ASN 54 HA ASN 54 70.195 1.006 4.989
349 1HB ASN 54 2HB ASN 54 71.862 2.414 2.896
350 2HB ASN 54 1HB ASN 54 72.504 1.781 4.409
351 1HD2 ASN 54 1HD2 ASN 54 71.051 0.952 1.335
352 2HD2 ASN 54 2HD2 ASN 54 71.567 -0.703 1.343
353 H ASN 55 H ASN 55 69.683 4.136 3.507
354 HA ASN 55 HA ASN 55 70.658 5.543 5.808
355 1HB ASN 55 2HB ASN 55 70.919 6.353 3.442
356 2HB ASN 55 1HB ASN 55 69.190 6.677 3.432
357 1HD2 ASN 55 1HD2 ASN 55 69.788 8.852 2.971
358 2HD2 ASN 55 2HD2 ASN 55 70.265 9.915 4.243
359 H GLY 56 H GLY 56 68.267 3.708 6.007
360 1HA GLY 56 2HA GLY 56 66.973 3.869 7.985
361 2HA GLY 56 1HA GLY 56 66.924 5.608 7.781
362 H ARG 57 H ARG 57 66.241 4.584 4.787
363 HA ARG 57 HA ARG 57 63.402 4.980 5.283
364 1HB ARG 57 2HB ARG 57 64.645 4.591 2.583
365 2HB ARG 57 1HB ARG 57 63.182 5.469 3.001
366 1HG ARG 57 2HG ARG 57 64.343 7.324 3.715
367 2HG ARG 57 1HG ARG 57 65.833 6.409 3.994
368 1HD ARG 57 2HD ARG 57 65.892 5.979 1.527
369 2HD ARG 57 1HD ARG 57 64.595 7.158 1.353
370 HE ARG 57 HE ARG 57 66.622 8.418 2.747
371 1HH1 ARG 57 1HH1 ARG 57 66.153 6.956 -0.392
372 2HH1 ARG 57 2HH1 ARG 57 67.376 7.909 -1.177
373 1HH2 ARG 57 1HH2 ARG 57 68.244 9.701 1.705
374 2HH2 ARG 57 2HH2 ARG 57 68.572 9.444 0.024
375 H CYS 58 H CYS 58 61.790 3.609 4.316
376 HA CYS 58 HA CYS 58 62.738 0.950 3.428
377 1HB CYS 58 2HB CYS 58 59.887 1.708 4.143
378 2HB CYS 58 1HB CYS 58 60.569 0.094 3.977
379 H ILE 59 H ILE 59 62.692 0.733 1.222
380 HA ILE 59 HA ILE 59 61.056 2.709 -0.219
381 HB ILE 59 HB ILE 59 62.635 2.747 -2.030
382 1HG1 ILE 59 2HG1 ILE 59 64.390 0.889 -0.422
383 2HG1 ILE 59 1HG1 ILE 59 63.326 0.337 -1.714
384 1HG2 ILE 59 1HG2 ILE 59 64.578 3.747 -0.881
385 2HG2 ILE 59 2HG2 ILE 59 63.970 3.104 0.646
386 3HG2 ILE 59 3HG2 ILE 59 63.035 4.307 -0.240
387 1HD1 ILE 59 1HD1 ILE 59 65.591 2.297 -2.018
388 2HD1 ILE 59 2HD1 ILE 59 64.535 1.721 -3.311
389 3HD1 ILE 59 3HD1 ILE 59 65.616 0.595 -2.486
390 H ASN 60 H ASN 60 60.556 1.952 -2.573
391 HA ASN 60 HA ASN 60 59.435 -0.720 -2.386
392 1HB ASN 60 2HB ASN 60 58.114 1.162 -3.361
393 2HB ASN 60 1HB ASN 60 59.259 1.228 -4.696
394 1HD2 ASN 60 1HD2 ASN 60 56.704 -0.602 -3.193
395 2HD2 ASN 60 2HD2 ASN 60 56.413 -1.656 -4.536
396 H ILE 61 H ILE 61 59.671 -2.223 -4.320
397 HA ILE 61 HA ILE 61 62.536 -2.629 -4.485
398 HB ILE 61 HB ILE 61 60.930 -4.361 -3.642
399 1HG1 ILE 61 2HG1 ILE 61 62.762 -5.094 -5.936
400 2HG1 ILE 61 1HG1 ILE 61 63.240 -4.879 -4.256
401 1HG2 ILE 61 1HG2 ILE 61 59.792 -5.749 -5.310
402 2HG2 ILE 61 2HG2 ILE 61 60.305 -4.636 -6.579
403 3HG2 ILE 61 3HG2 ILE 61 59.194 -4.086 -5.324
404 1HD1 ILE 61 1HD1 ILE 61 61.366 -6.976 -5.289
405 2HD1 ILE 61 2HD1 ILE 61 61.890 -6.777 -3.616
406 3HD1 ILE 61 3HD1 ILE 61 63.058 -7.216 -4.865
407 H ASN 62 H ASN 62 60.995 -0.791 -6.432
408 HA ASN 62 HA ASN 62 61.636 -2.208 -8.931
409 1HB ASN 62 2HB ASN 62 60.095 -0.811 -10.093
410 2HB ASN 62 1HB ASN 62 59.287 -1.352 -8.631
411 1HD2 ASN 62 1HD2 ASN 62 58.889 0.127 -6.978
412 2HD2 ASN 62 2HD2 ASN 62 58.934 1.832 -7.262
413 H TRP 63 H TRP 63 63.481 -0.592 -7.080
414 HA TRP 63 HA TRP 63 64.297 1.481 -9.010
415 1HB TRP 63 2HB TRP 63 64.690 1.289 -6.036
416 2HB TRP 63 1HB TRP 63 65.523 2.472 -7.042
417 HD1 TRP 63 HD1 TRP 63 62.476 2.457 -8.764
418 HE1 TRP 63 HE1 TRP 63 60.775 4.175 -7.893
419 HE3 TRP 63 HE3 TRP 63 64.581 3.386 -4.241
420 HZ2 TRP 63 HZ2 TRP 63 60.381 5.730 -5.556
421 HZ3 TRP 63 HZ3 TRP 63 63.496 5.003 -2.729
422 HH2 TRP 63 HH2 TRP 63 61.439 6.152 -3.378
423 H ARG 64 H ARG 64 64.992 -1.529 -8.530
424 HA ARG 64 HA ARG 64 67.774 -1.714 -8.204
425 1HB ARG 64 2HB ARG 64 66.225 -3.634 -8.082
426 2HB ARG 64 1HB ARG 64 65.921 -3.489 -9.807
427 1HG ARG 64 2HG ARG 64 67.474 -5.117 -9.894
428 2HG ARG 64 1HG ARG 64 68.577 -3.742 -9.876
429 1HD ARG 64 2HD ARG 64 69.341 -5.376 -8.289
430 2HD ARG 64 1HD ARG 64 68.737 -3.970 -7.405
431 HE ARG 64 HE ARG 64 66.585 -5.599 -7.505
432 1HH1 ARG 64 1HH1 ARG 64 69.920 -6.152 -6.574
433 2HH1 ARG 64 2HH1 ARG 64 69.506 -7.229 -5.275
434 1HH2 ARG 64 1HH2 ARG 64 66.047 -7.062 -5.804
435 2HH2 ARG 64 2HH2 ARG 64 67.315 -7.749 -4.847
436 H CYS 65 H CYS 65 69.139 -0.422 -9.440
437 HA CYS 65 HA CYS 65 68.773 -0.685 -12.342
438 1HB CYS 65 2HB CYS 65 70.104 1.318 -12.655
439 2HB CYS 65 1HB CYS 65 68.761 1.641 -11.567
440 H ASP 66 H ASP 66 71.123 -1.124 -9.780
441 HA ASP 66 HA ASP 66 72.678 -2.731 -11.680
442 1HB ASP 66 2HB ASP 66 74.807 -1.807 -10.936
443 2HB ASP 66 1HB ASP 66 73.780 -0.548 -11.605
444 H ASN 67 H ASN 67 72.706 -1.837 -8.202
445 HA ASN 67 HA ASN 67 73.660 -4.523 -7.643
446 1HB ASN 67 2HB ASN 67 74.989 -2.754 -6.668
447 2HB ASN 67 1HB ASN 67 73.562 -2.050 -5.915
448 1HD2 ASN 67 1HD2 ASN 67 72.841 -2.849 -4.002
449 2HD2 ASN 67 2HD2 ASN 67 73.638 -4.105 -3.125
450 H ASP 68 H ASP 68 71.385 -2.263 -6.083
451 HA ASP 68 HA ASP 68 69.422 -4.388 -5.958
452 1HB ASP 68 2HB ASP 68 70.968 -4.239 -3.789
453 2HB ASP 68 1HB ASP 68 69.795 -2.991 -3.367
454 H ASN 69 H ASN 69 68.428 -2.128 -3.709
455 HA ASN 69 HA ASN 69 67.073 -0.737 -5.910
456 1HB ASN 69 2HB ASN 69 66.087 -1.507 -3.201
457 2HB ASN 69 1HB ASN 69 65.294 -0.242 -4.141
458 1HD2 ASN 69 1HD2 ASN 69 66.068 -3.646 -3.973
459 2HD2 ASN 69 2HD2 ASN 69 64.943 -4.138 -5.191
460 H ASP 70 H ASP 70 66.691 1.387 -5.911
461 HA ASP 70 HA ASP 70 69.071 2.751 -5.223
462 1HB ASP 70 2HB ASP 70 67.456 2.900 -7.303
463 2HB ASP 70 1HB ASP 70 66.716 4.181 -6.348
464 H CYS 71 H CYS 71 69.367 4.666 -4.139
465 HA CYS 71 HA CYS 71 67.223 5.746 -2.498
466 1HB CYS 71 2HB CYS 71 69.668 4.390 -1.413
467 2HB CYS 71 1HB CYS 71 68.888 5.684 -0.510
468 H GLY 72 H GLY 72 70.634 5.885 -3.406
469 1HA GLY 72 2HA GLY 72 71.640 7.914 -4.218
470 2HA GLY 72 1HA GLY 72 70.503 8.824 -3.228
471 H ASP 73 H ASP 73 71.867 6.019 -1.835
472 HA ASP 73 HA ASP 73 73.887 7.554 -0.377
473 1HB ASP 73 2HB ASP 73 73.015 6.371 1.754
474 2HB ASP 73 1HB ASP 73 72.148 7.788 1.169
475 H ASN 74 H ASN 74 73.741 5.341 -2.395
476 HA ASN 74 HA ASN 74 75.311 3.787 -2.983
477 1HB ASN 74 2HB ASN 74 76.199 3.862 -0.088
478 2HB ASN 74 1HB ASN 74 76.983 2.927 -1.355
479 1HD2 ASN 74 1HD2 ASN 74 76.458 6.061 -0.016
480 2HD2 ASN 74 2HD2 ASN 74 77.647 6.894 -0.955
481 H SER 75 H SER 75 72.588 3.346 -1.866
482 HA SER 75 HA SER 75 72.642 0.747 -0.668
483 1HB SER 75 2HB SER 75 70.484 2.421 -1.906
484 2HB SER 75 1HB SER 75 70.175 0.799 -1.294
485 HG SER 75 HG SER 75 70.912 3.138 0.128
486 H ASP 76 H ASP 76 71.121 1.697 -3.670
487 HA ASP 76 HA ASP 76 71.855 -0.811 -4.958
488 1HB ASP 76 2HB ASP 76 69.606 0.047 -5.323
489 2HB ASP 76 1HB ASP 76 70.252 1.582 -5.901
490 H GLU 77 H GLU 77 72.389 2.586 -5.011
491 HA GLU 77 HA GLU 77 73.580 2.924 -7.527
492 1HB GLU 77 2HB GLU 77 74.101 4.820 -5.268
493 2HB GLU 77 1HB GLU 77 73.784 5.168 -6.958
494 1HG GLU 77 2HG GLU 77 71.895 5.904 -5.775
495 2HG GLU 77 1HG GLU 77 71.421 4.397 -6.557
496 H ALA 78 H ALA 78 74.836 1.173 -5.249
497 HA ALA 78 HA ALA 78 77.372 1.885 -4.580
498 1HB ALA 78 1HB ALA 78 77.971 -0.454 -4.640
499 2HB ALA 78 2HB ALA 78 76.602 -0.805 -5.698
500 3HB ALA 78 3HB ALA 78 76.321 -0.273 -4.038
501 H GLY 79 H GLY 79 76.337 0.796 -7.828
502 1HA GLY 79 2HA GLY 79 78.599 2.275 -8.923
503 2HA GLY 79 1HA GLY 79 78.606 0.549 -9.241
504 H CYS 80 H CYS 80 75.822 2.734 -9.123
505 HA CYS 80 HA CYS 80 74.757 1.539 -11.478
506 1HB CYS 80 2HB CYS 80 73.407 2.430 -9.537
507 2HB CYS 80 1HB CYS 80 73.748 4.048 -10.139
508 H SER 81 H SER 81 75.687 4.961 -10.839
509 HA SER 81 HA SER 81 76.649 5.210 -13.549
510 1HB SER 81 2HB SER 81 74.231 6.790 -12.644
511 2HB SER 81 1HB SER 81 75.136 7.093 -14.129
512 HG SER 81 HG SER 81 74.455 4.484 -13.940
513 H HIS 82 HN HIS 82 77.381 7.514 -13.986
514 HA HIS 82 HA HIS 82 78.032 9.078 -11.624
515 1HB HIS 82 2HB HIS 82 79.905 7.493 -11.771
516 2HB HIS 82 1HB HIS 82 80.155 7.923 -13.457
517 HD1 HIS 82 HD1 HIS 82 80.928 10.516 -13.842
518 HD2 HIS 82 HD2 HIS 82 81.308 8.988 -9.996
519 HE1 HIS 82 HE1 HIS 82 82.540 12.041 -12.629